A0A5K4F489_SCHMA Loading...

SH3_10 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F489, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,426 aa.

>A0A5K4F489_SCHMA|A0A5K4F489
MATESLQARLTDFERQARGVCIGVNHLALDSERVRQAELLQKIIQLEKDIQQSSAQKSHLPEAAAEIRDDVKNNTSALRYLETISQLENSFTVLTENVTETSVQLSAPKELKDEVHVKKELTGNVKSCWTYVSQLARLSQVHIRNAAEYHQFHHAVNEAEASLKARVRMTEPRNTRALPATLKNCTILANELREHLNHMIHLWGRSGNLLEESRRIVPVHLRLGGVIDGLSTNTESASPVMARMLTSLTGPNYELKEGEEVRVISNKDDQHFWTVQTNNGIVKIPSVCLWISDPDLEAVKRSVILREKCIESWDLLVERSRERLRSYYSCLLNQMAENGDIQYQHKIAMDNFLEDLRGLLLPNDTRATELSQAIYAFTDRLKMTDINRQRSPHGGVFLREQDIVCMHSPLLRLRDHERQMDHLRAQSELAGTHMTNYLREIDADQKRVDQELSLIDQLQHESQSQLDQLINRVKRWSSRYEHEPNVDSSISNSRMSSSLKSSTISDNWAGNNQMYPIDARSPQSIVRETSRLSSRTRSESIPRPVLDAITQIGVTTKTTGTQISHDDGDGGRNEIDLSISKRHFMPATIPERKQVRNAITQIGVSKVDAGTQDDYHGYSPKRSVKEVLCQIGQITANASCQTLEHYKLQQTLKKPTLDAVVQSGVITKNNSTQSEYITETVVKMDIPESQKAARKYSVLDAICQIGQVTQTTGTQTEVKNTERNKKNLGVQAEMKKAWQHTVNTNEAACQIGRITINASTEMSPMMVSKEEVIKQDIKKSDIICQIGKVEMTKSTQTNATEKLKTTTIKHSANQYEIQKASTSSQVDVLTEKTYKRTLKSVNDVICQVGQVNHEVSTQSVEYVTTRPAHKDTGIDPIHVWEKKTANDVVTQTGIVHTSKVTQAELIQEQPVYVKAIETQDVPITSYRNTVDAYQQADLIKHMLRKPSSDVVCQVGSVMESSGIQIDEPHKTSMLLAGTQSAKTPTHTKEIQTDMGFRMEPKFVSKAVNDVICQVGQVNHEVSTQSVEYVTTRPAHKDTGIDPIHVWEKKTANDVVTQTGIVHTSKITQAELIQEQPVYVKAIETQDVPITSYRNTVDAYQQADLIKHMLRKPSSDVVCQVGSVMESSGIQIDEPHKTSMLLAGTQSAKTPTHTKEIQTDMGFRMEPKFVSKAVNDVICQVGQVNHEVSTQSVEYVTTRPAHKDTGIDPIHVWEKKTANDVVTQTGIVHTSKITQAELIQEQPVYVKAIETQDVPITSYRNTVDAYQQADLIKHMLRKPSSDVVCQVGSVMESSGIQIDEPHKTSMLLAGTQSAKTPTHTKEIQTDMGFRMEPKFVSKAVNDVICQVGQVNHEVSTQSVEYKTANDVVTQTGIVHTSKVTQAELIQEQPVYVKAIETQDVPITSYRNTVDAYQQADLIKHMLRKPSSDVVCQVGSVMESSGIQIDEPHKTSMLLAGTQSAKTPTHTKEIQTDMGFRMEPKFVSKAVNDVICQVGQVNHEVSTQTGIPSTISVGVDPRPEVPVRHLGSYQVPPNIEQESRQVQADIKQTLKHIDMQTEAITRETLISTNLVKEKQVEIFDVTTQFDIVTKEKDVQTFVTCRSKETQTIESSPESEVKMRSQQTFTRIRSKNYDVQTQSGTINISQAFQTLLDYKPTTEKRSTGMQHEVDKGVVETTYHEPQTQETPTQTERARIKDQQTFTSIELKTFDVQTQFGSILKTQAAQTPGEQKTVVEVRDMTMQHHKSPEPIVHKKLQAIVQPPTINTETQTMVERPPPVILPPKVFDVQTQSGSVTVNSETQTPQEHRPVVATKDASVYHETRPVQSVPKKLQAIVVRPLENMATQTDFLAQPVVMPMVQTTHHEPQTQETPTQTERARIKDQQTFTSIELKTFDVQTQFGSILKTQAAQTPGEQKTVVEVRDMTMQHHKSPEPIVHKKLQAIVQPPTINTETQTMVERPPPVILPPKVFDVQTQSGTVTINSETQTPQEHRPIIEVKDLITQHEKRPEPIVHKKLQAIVQPPTINTETQTMVERPPPVILPPKVFDVQTQSGTVTINSETQTPQEHRPIIEVKDLITQHEKRPEPIVHKKLQAIVQPPTINTETQTMVERPPPVILPPKVFDVQTQSGTVTINSETQTPQEHRPVVATKDASVYHETRPVQSVPKKLQAIVVRPLENMATQTDFLAQPVVMPMVQTTHHEPQTQETPTQTERARIKDQQTFTSIELKTFDVQTQFGSILKTQAAQTPGEQKTVVEVRDMTMQHHKSPEPIVHKKLQAIVQPPTINTETQTMVEGPPPVILPPKVFDVQTQSGTVTINSETQTPQEHRPIIEVKDLITQHEKRPEPIVHKKLQAIVQPPTINTETQTMVERPPPVILPPKVFDVQTQSGTVTINSETQTPQEHRPIIEVKDLITQHEKRPEPIVHKNYKQ
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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
1M58.7Low82.5Confident174 Ų17473 Ų7386%0.85741%0.412SS*.  0-90.80-60.2-55.7-86.100112.4T3 E4 S5M1-T3 PolarHBondContact O-N 3.48Å; M1-E4 WeakPolarHBondContact CA-OE2 3.4Å; M1-E4 PolarHBondContact N-OE1 3.26Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.36Å; M1-S5 PolarHBondContact O-N 2.69Å
2A74.1Confident83.3Confident65 Ų6572.4 Ų72.454%0.53741%0.407SS..Hα-helixtrans-61.4-44.9-17100000113.8S5 L6A2-S5 PolarHBondContact O-N 3.31Å; A2-L6 WeakPolarHBondContact O-CG 3.49Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å
3T76.3Confident84Confident54 Ų5468.5 Ų68.533%0.33138%0.383SS..Hα-helixtrans-58.8-45.917541.40000113.1M1 S5 L6 Q7 A55M1-T3 PolarHBondContact O-N 3.48Å; T3-S5 PolarHBondContact O-N 2.69Å; T3-L6 PolarHBondContact O-N 2.88Å; T3-Q7 PolarHBondContact O-N 3.35Å; T3-A55 HydrophobicContact CG2-CB 4.01Å
4E80.8Confident84.5Confident113 Ų11367.7 Ų67.753%0.52838%0.375SS..Hα-helixtrans-65.5-37.2178.8-66.2140.2-153.800111.9M1 Q7 A8M1-E4 WeakPolarHBondContact CA-OE2 3.4Å; M1-E4 PolarHBondContact N-OE1 3.26Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.36Å; E4-Q7 PolarHBondContact O-N 3.45Å; E4-A8 WeakPolarHBondContact O-CB 3.49Å; E4-A8 PolarHBondContact O-N 3.15Å
5S85.9Confident84.9Confident67 Ų6775.7 Ų75.747%0.46940%0.397SS..Hα-helixtrans-64.3-42.1174.8-1790000111.9M1 A2 T3 A8 R9M1-S5 PolarHBondContact O-N 2.69Å; A2-S5 PolarHBondContact O-N 3.31Å; T3-S5 PolarHBondContact O-N 2.69Å; S5-A8 PolarHBondContact O-N 3.46Å; S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 3.25Å
6L86.8Confident85.2Confident13 Ų1374.3 Ų74.37%0.06839%0.388CS..Hα-helixtrans-64.1-42.1173.1-65.7169.2000111.4A2 T3 R9 L10 L46 D49 I50 S53 A55 L60A2-L6 WeakPolarHBondContact O-CG 3.49Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å; T3-L6 PolarHBondContact O-N 2.88Å; L6-R9 PolarHBondContact O-N 2.89Å; L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.91Å; L6-L46 HydrophobicContact CB-CD1 4.43Å; L6-L46 HydrophobicContact CD2-CD1 3.55Å; L6-D49 HydrophobicContact CD2-CB 3.75Å; L6-I50 HydrophobicContact CB-CG1 4.37Å; L6-I50 HydrophobicContact CD1-CG1 4.13Å; L6-I50 HydrophobicContact CD2-CG1 4.34Å; L6-S53 WeakPolarHBondContact CD1-OG 3.42Å; L6-A55 HydrophobicContact CD1-CB 3.91Å; L6-L60 HydrophobicContact CB-CD1 4.5Å
7Q86.8Confident85.4Confident88 Ų8870.1 Ų70.141%0.41137%0.366SS..Hα-helixtrans-64.9-39.9176.5-174173.31.800112.7T3 E4 L10 T11 L60T3-Q7 PolarHBondContact O-N 3.35Å; E4-Q7 PolarHBondContact O-N 3.45Å; Q7-L10 WeakPolarHBondContact O-CB 2.82Å; Q7-L10 PolarHBondContact O-N 2.93Å; Q7-T11 PolarHBondContact O-N 2.98Å; Q7-T11 PolarHBondContact O-OG1 3.17Å; Q7-L60 HydrophobicContact CB-CD1 4.3Å; Q7-L60 HydrophobicContact CB-CD2 3.89Å; Q7-L60 HydrophobicContact CG-CD2 3.95Å
8A88Confident85.5Confident63 Ų6374.4 Ų74.452%0.52138%0.377SS..Hα-helixtrans-65.4-44.7176.200000111.8E4 S5 L10 T11 D12E4-A8 WeakPolarHBondContact O-CB 3.49Å; E4-A8 PolarHBondContact O-N 3.15Å; S5-A8 PolarHBondContact O-N 3.46Å; A8-L10 VanDerWaalsContact C-N 3.3Å; A8-L10 PolarHBondContact O-N 2.82Å; A8-T11 PolarHBondContact O-N 2.86Å; A8-D12 PolarHBondContact O-N 3.35Å; A8-D12 VanDerWaalsContact O-N 3.07Å
9R90.4Very high85.6Confident85 Ų8572.9 Ų72.932%0.32138%0.382SS..Hα-helixtrans-59-42171.5-74.8172.162.1-160.3-4.5111.6S5 L6 D12 F13 L46 D49S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 3.25Å; L6-R9 PolarHBondContact O-N 2.89Å; R9-D12 PolarHBondContact O-N 2.88Å; R9-F13 WeakPolarHBondContact O-CD1 3.28Å; R9-F13 VanDerWaalsContact O-CG 3.26Å; R9-F13 WeakPolarHBondContact O-CG 3.36Å; R9-F13 PolarHBondContact O-N 3.32Å; R9-L46 HydrophobicContact CB-CD1 4.05Å; R9-L46 HydrophobicContact CB-CD2 4.27Å; R9-D49 IonicContact CZ-OD2 2.6Å; R9-D49 IonicContact NH1-OD2 3.01Å; R9-D49 PolarHBondContact NH1-OD2 2.89Å; R9-D49 IonicContact NH2-OD2 3.26Å; R9-D49 PolarHBondContact NH2-OD2 3.36Å
10L90Very high85.7Confident8 Ų871.2 Ų71.24%0.04238%0.375CS..Hα-helixtrans-63.7-44179-16865.1000112L6 Q7 A8 D12 F13 E14 L46 L60 A63 A64 I67L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.91Å; Q7-L10 WeakPolarHBondContact O-CB 2.82Å; Q7-L10 PolarHBondContact O-N 2.93Å; A8-L10 VanDerWaalsContact C-N 3.3Å; A8-L10 PolarHBondContact O-N 2.82Å; L10-D12 PolarHBondContact O-N 3.27Å; L10-F13 PolarHBondContact O-N 3.49Å; L10-E14 WeakPolarHBondContact O-CB 3.45Å; L10-E14 PolarHBondContact O-N 2.53Å; L10-L46 HydrophobicContact CB-CD2 3.94Å; L10-L46 HydrophobicContact CD1-CD2 3.63Å; L10-L46 HydrophobicContact CG-CD2 4.42Å; L10-L60 HydrophobicContact CD2-CB 4.41Å; L10-L60 HydrophobicContact CD2-CD2 3.55Å; L10-A63 HydrophobicContact CD2-CB 3.8Å; L10-A64 HydrophobicContact CD1-CB 3.74Å; L10-I67 HydrophobicContact CD1-CD1 3.66Å; L10-I67 HydrophobicContact CG-CD1 3.78Å
11T89.8Confident85.6Confident73 Ų7372.1 Ų72.145%0.44839%0.386SS..Hα-helixtrans-66.8-35179.2-50.60000111.9Q7 A8 E14 R15Q7-T11 PolarHBondContact O-N 2.98Å; Q7-T11 PolarHBondContact O-OG1 3.17Å; A8-T11 PolarHBondContact O-N 2.86Å; T11-E14 WeakPolarHBondContact O-CB 3.03Å; T11-R15 WeakPolarHBondContact O-CB 3.49Å; T11-R15 PolarHBondContact O-N 3.46Å; T11-R15 VanDerWaalsContact O-N 3.07Å
12D91.5Very high86.8Confident66 Ų6668.5 Ų68.535%0.35337%0.369SS..Hα-helixtrans-70.3-38.8172.3-173.160.7000111.7A8 R9 L10 R15 Q16A8-D12 PolarHBondContact O-N 3.35Å; A8-D12 VanDerWaalsContact O-N 3.07Å; R9-D12 PolarHBondContact O-N 2.88Å; L10-D12 PolarHBondContact O-N 3.27Å; D12-R15 CarbonylContact O-C 3.41Å; D12-R15 WeakPolarHBondContact O-CB 3.47Å; D12-R15 PolarHBondContact O-N 3.24Å; D12-Q16 WeakPolarHBondContact O-CG 3.23Å; D12-Q16 PolarHBondContact O-N 2.94Å; D12-Q16 PolarHBondContact OD2-NE2 3.11Å
13F92.2Very high87.3Confident22 Ų2266.4 Ų66.410%0.09635%0.354CS..Hα-helixtrans-66.9-36.5174.8-65-6.8000112.3R9 L10 R15 Q16 A17 L39 K42 I43 L46R9-F13 WeakPolarHBondContact O-CD1 3.28Å; R9-F13 VanDerWaalsContact O-CG 3.26Å; R9-F13 WeakPolarHBondContact O-CG 3.36Å; R9-F13 PolarHBondContact O-N 3.32Å; L10-F13 PolarHBondContact O-N 3.49Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.08Å; F13-Q16 PolarHBondContact O-N 3.5Å; F13-A17 VanDerWaalsContact O-CB 3.23Å; F13-A17 WeakPolarHBondContact O-CB 3.31Å; F13-A17 PolarHBondContact O-N 2.87Å; F13-L39 HydrophobicContact CB-CD1 4.09Å; F13-L39 HydrophobicContact CD1-CD1 4.05Å; F13-L39 HydrophobicContact CG-CD1 4.07Å; F13-K42 HydrophobicContact CE1-CB 4.39Å; F13-K42 HydrophobicContact CE2-CB 3.94Å; F13-K42 WeakPolarHBondContact CE2-O 3.27Å; F13-K42 HydrophobicContact CZ-CB 3.79Å; F13-I43 HydrophobicContact CB-CG1 4.12Å; F13-I43 HydrophobicContact CD2-CG1 3.81Å; F13-I43 HydrophobicContact CG-CG1 4.28Å; F13-L46 HydrophobicContact CD2-CB 4.45Å; F13-L46 HydrophobicContact CD2-CD2 3.66Å; F13-L46 HydrophobicContact CE2-CB 4.05Å; F13-L46 HydrophobicContact CE2-CD2 3.86Å
14E91.3Very high87.7Confident57 Ų5770.5 Ų70.527%0.26638%0.378SS..Hα-helixtrans-56.6-45.7169.2-168.3-175.2176.800111L10 T11 A17 R18 I67L10-E14 WeakPolarHBondContact O-CB 3.45Å; L10-E14 PolarHBondContact O-N 2.53Å; T11-E14 WeakPolarHBondContact O-CB 3.03Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-R18 PolarHBondContact O-N 2.99Å; E14-R18 IonicContact OE1-CZ 2.78Å; E14-R18 IonicContact OE1-NH1 2.75Å; E14-R18 PolarHBondContact OE1-NH1 3.21Å; E14-R18 IonicContact OE1-NH2 3.39Å; E14-R18 PolarHBondContact OE1-NH2 3.04Å; E14-I67 HydrophobicContact CB-CD1 3.61Å; E14-I67 HydrophobicContact CB-CG1 4.09Å; E14-I67 HydrophobicContact CG-CD1 4Å; E14-I67 HydrophobicContact CG-CG1 4.12Å
15R91Very high88.1Confident187 Ų18768.7 Ų68.771%0.70637%0.372SS*.Hα-helixtrans-66-40.9176.6-177.2175.7177.2-95.6-5.1112.4T11 D12 F13 G19T11-R15 WeakPolarHBondContact O-CB 3.49Å; T11-R15 PolarHBondContact O-N 3.46Å; T11-R15 VanDerWaalsContact O-N 3.07Å; D12-R15 CarbonylContact O-C 3.41Å; D12-R15 WeakPolarHBondContact O-CB 3.47Å; D12-R15 PolarHBondContact O-N 3.24Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.08Å; R15-G19 PolarHBondContact O-N 3.01Å
16Q89Confident88.3Confident54 Ų5467.9 Ų67.925%0.25236%0.361SS..Hα-helixtrans-69.5-31.6176.4-70.4-173.447.100112.9D12 F13 R35 L39D12-Q16 WeakPolarHBondContact O-CG 3.23Å; D12-Q16 PolarHBondContact O-N 2.94Å; D12-Q16 PolarHBondContact OD2-NE2 3.11Å; F13-Q16 PolarHBondContact O-N 3.5Å; Q16-R35 PolarHBondContact O-NH1 2.93Å; Q16-L39 HydrophobicContact CB-CD1 3.97Å; Q16-L39 HydrophobicContact CB-CD2 3.79Å
17A88.7Confident88.4Confident2 Ų273.3 Ų73.32%0.01739%0.389CS..Hα-helixtrans-74.9-40.4177.600000112.1F13 E14 V20 L39 I67 V71 N74F13-A17 VanDerWaalsContact O-CB 3.23Å; F13-A17 WeakPolarHBondContact O-CB 3.31Å; F13-A17 PolarHBondContact O-N 2.87Å; E14-A17 PolarHBondContact O-N 2.93Å; A17-V20 WeakPolarHBondContact O-CG2 3.46Å; A17-L39 HydrophobicContact CB-CD2 4.03Å; A17-I67 HydrophobicContact CB-CG2 3.9Å; A17-V71 HydrophobicContact CB-CG2 3.55Å; A17-N74 PolarHBondContact O-ND2 3.19Å
18R88.1Confident88.5Confident148 Ų14870.8 Ų70.856%0.55838%0.383SS*.Hα-helixtrans-76.3-28.5174-67.2-173.6-173.7134.113.4113E14 V20E14-R18 PolarHBondContact O-N 2.99Å; E14-R18 IonicContact OE1-CZ 2.78Å; E14-R18 IonicContact OE1-NH1 2.75Å; E14-R18 PolarHBondContact OE1-NH1 3.21Å; E14-R18 IonicContact OE1-NH2 3.39Å; E14-R18 PolarHBondContact OE1-NH2 3.04Å; R18-V20 VanDerWaalsContact C-N 3.26Å; R18-V20 PolarHBondContact O-N 3.28Å
19G86.5Confident88.6Confident46 Ų4668 Ų6847%0.47436%0.36SS..  trans-80.259.8174.800000113.5R15 R35R15-G19 PolarHBondContact O-N 3.01Å; G19-R35 PolarHBondContact O-NH2 3.38Å
20V87.2Confident88.5Confident39 Ų3966.1 Ų66.124%0.23636%0.356CS..  trans-77.7127.2176.7-168.30000110.4A17 R18 I22 E32 N74A17-V20 WeakPolarHBondContact O-CG2 3.46Å; R18-V20 VanDerWaalsContact C-N 3.26Å; R18-V20 PolarHBondContact O-N 3.28Å; V20-I22 HydrophobicContact CB-CG1 4.38Å; V20-I22 HydrophobicContact CG1-CD1 4.32Å; V20-I22 HydrophobicContact CG1-CG1 3.65Å; V20-I22 PolarHBondContact O-N 2.94Å; V20-E32 WeakPolarHBondContact CA-OE1 3.28Å; V20-E32 HydrophobicContact CG1-CG 4.01Å; V20-E32 VanDerWaalsContact CG1-OE1 3.25Å; V20-E32 WeakPolarHBondContact CG1-OE1 2.85Å; V20-N74 HydrophobicContact CG2-CB 4.28Å; V20-N74 VanDerWaalsContact CG2-CG 3.48Å; V20-N74 VanDerWaalsContact CG2-ND2 3.33Å; V20-N74 WeakPolarHBondContact CG2-ND2 3.49Å
21C84.5Confident88.5Confident90 Ų9069 Ų6961%0.60838%0.377SS*.  trans-98.378.6177.4-171.60000111.2G23 E32C21-G23 PolarHBondContact O-N 2.78Å; C21-E32 VanDerWaalsContact N-CD 3.35Å; C21-E32 PolarHBondContact N-OE1 3.47Å
22I84Confident88.5Confident99 Ų9966 Ų6651%0.50836%0.358SS..  trans-72.9100.9-179.4-55.3-179000110.1V20 L29 L78 L81V20-I22 HydrophobicContact CB-CG1 4.38Å; V20-I22 HydrophobicContact CG1-CD1 4.32Å; V20-I22 HydrophobicContact CG1-CG1 3.65Å; V20-I22 PolarHBondContact O-N 2.94Å; I22-L29 HydrophobicContact CG2-CD2 4.05Å; I22-L78 HydrophobicContact CG1-CD2 4.4Å; I22-L81 HydrophobicContact CD1-CD1 4.48Å; I22-L81 HydrophobicContact CG2-CD1 3.47Å; I22-L81 VanDerWaalsContact CG2-CD1 3.47Å
23G84.3Confident88.4Confident21 Ų2166.2 Ų66.222%0.21635%0.354CS..  trans-76.5172.8167.800000112.9C21 L29C21-G23 PolarHBondContact O-N 2.78Å; G23-L29 VanDerWaalsContact O-CD2 3.3Å; G23-L29 WeakPolarHBondContact O-CD2 3.21Å
24V84.5Confident88.3Confident140 Ų14068 Ų6885%0.84837%0.366SS*.SBendtrans-104.7-21.1-178.5-62.30000114.7
25N90.5Very high88.3Confident75 Ų7568.8 Ų68.840%0.40137%0.367SS..SBendtrans-99.1162.4178.37033.3000111.6L27 A28 L29 E88N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.5Å; N25-L27 PolarHBondContact OD1-N 3.13Å; N25-A28 PolarHBondContact O-N 3.47Å; N25-A28 VanDerWaalsContact OD1-CB 3.26Å; N25-A28 WeakPolarHBondContact OD1-CB 3.3Å; N25-A28 PolarHBondContact OD1-N 3.12Å; N25-L29 PolarHBondContact O-N 3.39Å; N25-L29 VanDerWaalsContact O-N 3.1Å; N25-E88 WeakPolarHBondContact CA-OE1 3.13Å; N25-E88 WeakPolarHBondContact CB-OE1 2.9Å
26H89Confident88.4Confident49 Ų4959.9 Ų59.923%0.22733%0.333CS..Hα-helixtrans-58.3-42.2-175.1-171.1-54.4000112.6A28 L29 D30 S85 E88H26-A28 PolarHBondContact O-N 2.92Å; H26-L29 PolarHBondContact O-N 2.76Å; H26-D30 WeakPolarHBondContact O-CB 3.46Å; H26-D30 PolarHBondContact O-N 2.86Å; H26-S85 WeakPolarHBondContact CA-OG 3.05Å; H26-E88 PolarHBondContact N-OE1 2.67Å
27L88.1Confident88.5Confident127 Ų12759 Ų5967%0.66534%0.336SS*.Hα-helixtrans-65.9-40.1-177-177.462000112.3N25 S31N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.5Å; N25-L27 PolarHBondContact OD1-N 3.13Å; L27-S31 WeakPolarHBondContact O-CB 3.43Å; L27-S31 PolarHBondContact O-N 2.76Å; L27-S31 PolarHBondContact O-OG 3.33Å
28A89.6Confident88.7Confident35 Ų3563.3 Ų63.329%0.28936%0.356SS..Hα-helixtrans-71.1-40178.400000112N25 H26 E32N25-A28 PolarHBondContact O-N 3.47Å; N25-A28 VanDerWaalsContact OD1-CB 3.26Å; N25-A28 WeakPolarHBondContact OD1-CB 3.3Å; N25-A28 PolarHBondContact OD1-N 3.12Å; H26-A28 PolarHBondContact O-N 2.92Å; A28-E32 WeakPolarHBondContact O-CB 2.92Å; A28-E32 PolarHBondContact O-N 3.29Å
29L89.9Confident88.9Confident5 Ų556.3 Ų56.33%0.02633%0.329CS..Hα-helixtrans-63.4-41.8173.4-73.5171.1000111.6I22 G23 N25 H26 R33 L78 L81I22-L29 HydrophobicContact CG2-CD2 4.05Å; G23-L29 VanDerWaalsContact O-CD2 3.3Å; G23-L29 WeakPolarHBondContact O-CD2 3.21Å; N25-L29 PolarHBondContact O-N 3.39Å; N25-L29 VanDerWaalsContact O-N 3.1Å; H26-L29 PolarHBondContact O-N 2.76Å; L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.19Å; L29-R33 PolarHBondContact O-N 3.4Å; L29-L78 HydrophobicContact CD2-CD2 3.77Å; L29-L81 HydrophobicContact CD1-CB 4Å; L29-L81 HydrophobicContact CD2-CB 4.06Å; L29-L81 HydrophobicContact CD2-CD1 4.29Å
30D88.2Confident89.3Confident46 Ų4656 Ų5625%0.24632%0.316CS..Hα-helixtrans-68.1-40.7178.3-161.363.7000112.4H26 E32 R33 V34H26-D30 WeakPolarHBondContact O-CB 3.46Å; H26-D30 PolarHBondContact O-N 2.86Å; D30-E32 PolarHBondContact O-N 3.04Å; D30-R33 VanDerWaalsContact CG-NH2 3.31Å; D30-R33 WeakPolarHBondContact O-CB 3.12Å; D30-R33 PolarHBondContact O-N 2.71Å; D30-R33 IonicContact OD1-CZ 2.67Å; D30-R33 IonicContact OD1-NE 2.82Å; D30-R33 PolarHBondContact OD1-NE 3.2Å; D30-R33 IonicContact OD1-NH2 3.2Å; D30-R33 PolarHBondContact OD1-NH2 2.75Å; D30-R33 IonicContact OD2-NH2 3.65Å; D30-R33 PolarHBondContact OD2-NH2 3.24Å; D30-V34 WeakPolarHBondContact O-CG2 3.05Å; D30-V34 PolarHBondContact O-N 2.98Å
31S90.2Very high89.6Confident68 Ų6860.9 Ų60.948%0.47634%0.336SS..Hα-helixtrans-60.6-45.9175.1-59.10000111.8L27 V34 R35L27-S31 WeakPolarHBondContact O-CB 3.43Å; L27-S31 PolarHBondContact O-N 2.76Å; L27-S31 PolarHBondContact O-OG 3.33Å; S31-V34 PolarHBondContact O-N 2.71Å; S31-R35 PolarHBondContact O-N 2.72Å
32E91.2Very high90Very high11 Ų1160.5 Ų60.55%0.05133%0.325CS..Hα-helixtrans-67.3-36.9175.4178.860.5-162.100111.6V20 C21 A28 D30 V34 R35 Q36 L78V20-E32 WeakPolarHBondContact CA-OE1 3.28Å; V20-E32 HydrophobicContact CG1-CG 4.01Å; V20-E32 VanDerWaalsContact CG1-OE1 3.25Å; V20-E32 WeakPolarHBondContact CG1-OE1 2.85Å; C21-E32 VanDerWaalsContact N-CD 3.35Å; C21-E32 PolarHBondContact N-OE1 3.47Å; A28-E32 WeakPolarHBondContact O-CB 2.92Å; A28-E32 PolarHBondContact O-N 3.29Å; D30-E32 PolarHBondContact O-N 3.04Å; E32-V34 PolarHBondContact O-N 3.44Å; E32-R35 VanDerWaalsContact CD-NH2 3.31Å; E32-R35 PolarHBondContact O-N 3.06Å; E32-R35 IonicContact OE1-CZ 2.64Å; E32-R35 IonicContact OE1-NE 3.01Å; E32-R35 IonicContact OE1-NH2 3.23Å; E32-R35 PolarHBondContact OE1-NH2 2.93Å; E32-R35 IonicContact OE2-CZ 3.92Å; E32-R35 IonicContact OE2-NE 2.68Å; E32-R35 PolarHBondContact OE2-NE 3.43Å; E32-R35 IonicContact OE2-NH2 3.36Å; E32-R35 PolarHBondContact OE2-NH2 2.87Å; E32-R35 VanDerWaalsContact OE2-NH2 3.1Å; E32-Q36 WeakPolarHBondContact O-CG 3.18Å; E32-Q36 PolarHBondContact O-N 2.83Å; E32-Q36 PolarHBondContact OE1-NE2 3.02Å; E32-L78 HydrophobicContact CB-CD1 4.5Å; E32-L78 HydrophobicContact CB-CD2 4.27Å; E32-L78 HydrophobicContact CG-CD1 3.82Å; E32-L78 HydrophobicContact CG-CD2 3.85Å
33R88.9Confident90.5Very high69 Ų6955.8 Ų55.826%0.2630%0.301SS..Hα-helixtrans-61.2-40.5173.5-176.3-162.362.762-0.7111.9L29 D30 A37 L78L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.19Å; L29-R33 PolarHBondContact O-N 3.4Å; D30-R33 VanDerWaalsContact CG-NH2 3.31Å; D30-R33 WeakPolarHBondContact O-CB 3.12Å; D30-R33 PolarHBondContact O-N 2.71Å; D30-R33 IonicContact OD1-CZ 2.67Å; D30-R33 IonicContact OD1-NE 2.82Å; D30-R33 PolarHBondContact OD1-NE 3.2Å; D30-R33 IonicContact OD1-NH2 3.2Å; D30-R33 PolarHBondContact OD1-NH2 2.75Å; D30-R33 IonicContact OD2-NH2 3.65Å; D30-R33 PolarHBondContact OD2-NH2 3.24Å; R33-A37 WeakPolarHBondContact O-CB 3.16Å; R33-A37 PolarHBondContact O-N 2.83Å; R33-L78 HydrophobicContact CB-CD1 4.48Å
34V90.6Very high90.9Very high60 Ų6058 Ų5836%0.36431%0.307SS..Hα-helixtrans-64.9-45.3172.7171.80000110.6D30 S31 E32 Q36 A37 E38D30-V34 WeakPolarHBondContact O-CG2 3.05Å; D30-V34 PolarHBondContact O-N 2.98Å; S31-V34 PolarHBondContact O-N 2.71Å; E32-V34 PolarHBondContact O-N 3.44Å; V34-Q36 PolarHBondContact O-N 2.95Å; V34-A37 WeakPolarHBondContact O-CB 3.39Å; V34-A37 PolarHBondContact O-N 2.88Å; V34-A37 VanDerWaalsContact O-N 3.11Å; V34-E38 PolarHBondContact O-N 2.87Å
35R91.4Very high91.2Very high73 Ų7355.2 Ų55.228%0.27528%0.284SS..Hα-helixtrans-59.7-42.7177.1-165.4-175.770.490.3-4.9112.8Q16 G19 S31 E32 E38 L39Q16-R35 PolarHBondContact O-NH1 2.93Å; G19-R35 PolarHBondContact O-NH2 3.38Å; S31-R35 PolarHBondContact O-N 2.72Å; E32-R35 VanDerWaalsContact CD-NH2 3.31Å; E32-R35 PolarHBondContact O-N 3.06Å; E32-R35 IonicContact OE1-CZ 2.64Å; E32-R35 IonicContact OE1-NE 3.01Å; E32-R35 IonicContact OE1-NH2 3.23Å; E32-R35 PolarHBondContact OE1-NH2 2.93Å; E32-R35 IonicContact OE2-CZ 3.92Å; E32-R35 IonicContact OE2-NE 2.68Å; E32-R35 PolarHBondContact OE2-NE 3.43Å; E32-R35 IonicContact OE2-NH2 3.36Å; E32-R35 PolarHBondContact OE2-NH2 2.87Å; E32-R35 VanDerWaalsContact OE2-NH2 3.1Å; R35-E38 PolarHBondContact O-N 3.17Å; R35-L39 WeakPolarHBondContact O-CB 3.21Å; R35-L39 PolarHBondContact O-N 3.05Å
36Q91.9Very high91.2Very high0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-66.3-37.2174.7-66.2-66.7-3800111.7E32 V34 L39 L40 V71 N74 L78E32-Q36 WeakPolarHBondContact O-CG 3.18Å; E32-Q36 PolarHBondContact O-N 2.83Å; E32-Q36 PolarHBondContact OE1-NE2 3.02Å; V34-Q36 PolarHBondContact O-N 2.95Å; Q36-L39 PolarHBondContact O-N 2.87Å; Q36-L40 WeakPolarHBondContact O-CB 3.16Å; Q36-L40 PolarHBondContact O-N 3.26Å; Q36-V71 HydrophobicContact CB-CG1 4.31Å; Q36-V71 VanDerWaalsContact O-CG1 3.26Å; Q36-V71 WeakPolarHBondContact O-CG1 3.19Å; Q36-N74 HydrophobicContact CG-CB 4.25Å; Q36-N74 PolarHBondContact OE1-ND2 3.3Å; Q36-L78 HydrophobicContact CB-CD1 4.44Å; Q36-L78 HydrophobicContact CG-CD1 3.75Å
37A90.9Very high91.3Very high37 Ų3750.7 Ų50.731%0.30626%0.261SS..Hα-helixtrans-66.1-39.9175.900000112.7R33 V34 L40 Q41R33-A37 WeakPolarHBondContact O-CB 3.16Å; R33-A37 PolarHBondContact O-N 2.83Å; V34-A37 WeakPolarHBondContact O-CB 3.39Å; V34-A37 PolarHBondContact O-N 2.88Å; V34-A37 VanDerWaalsContact O-N 3.11Å; A37-L40 PolarHBondContact O-N 3.03Å; A37-Q41 PolarHBondContact O-N 3.09Å
38E92.9Very high91.4Very high92 Ų9249.2 Ų49.243%0.4325%0.249SC..Hα-helixtrans-62.9-44.3170.2-75.4-172.6-151.700112.2V34 R35 L40 Q41 K42V34-E38 PolarHBondContact O-N 2.87Å; R35-E38 PolarHBondContact O-N 3.17Å; E38-L40 VanDerWaalsContact C-N 3.28Å; E38-L40 PolarHBondContact O-N 3.44Å; E38-Q41 PolarHBondContact O-N 2.96Å; E38-Q41 VanDerWaalsContact O-N 3.17Å; E38-K42 WeakPolarHBondContact O-CD 3.24Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.27Å; E38-K42 PolarHBondContact O-N 2.99Å; E38-K42 IonicContact OE2-NZ 3.76Å; E38-K42 PolarHBondContact OE2-NZ 2.69Å
39L93.5Very high91.4Very high1 Ų149.3 Ų49.31%0.00525%0.245CC..Hα-helixtrans-60.6-40.4178.3-177.559.7000110.9F13 Q16 A17 R35 Q36 Q41 K42 I43 V71F13-L39 HydrophobicContact CB-CD1 4.09Å; F13-L39 HydrophobicContact CD1-CD1 4.05Å; F13-L39 HydrophobicContact CG-CD1 4.07Å; Q16-L39 HydrophobicContact CB-CD1 3.97Å; Q16-L39 HydrophobicContact CB-CD2 3.79Å; A17-L39 HydrophobicContact CB-CD2 4.03Å; R35-L39 WeakPolarHBondContact O-CB 3.21Å; R35-L39 PolarHBondContact O-N 3.05Å; Q36-L39 PolarHBondContact O-N 2.87Å; L39-Q41 PolarHBondContact O-N 3.39Å; L39-K42 PolarHBondContact O-N 3.16Å; L39-I43 HydrophobicContact CD1-CD1 4.24Å; L39-I43 HydrophobicContact CD1-CG1 4.42Å; L39-I43 HydrophobicContact CG-CD1 3.89Å; L39-I43 WeakPolarHBondContact O-CD1 3.07Å; L39-I43 VanDerWaalsContact O-CG1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.03Å; L39-I43 PolarHBondContact O-N 2.82Å; L39-V71 HydrophobicContact CD2-CG2 3.72Å; L39-V71 HydrophobicContact CG-CG2 4.04Å
40L93.2Very high91.4Very high39 Ų3949.1 Ų49.120%0.20424%0.244CC..Hα-helixtrans-59.3-43.1173.9-173.860.7000112.1Q36 A37 E38 I43 I44 R68 V71 K72Q36-L40 WeakPolarHBondContact O-CB 3.16Å; Q36-L40 PolarHBondContact O-N 3.26Å; A37-L40 PolarHBondContact O-N 3.03Å; E38-L40 VanDerWaalsContact C-N 3.28Å; E38-L40 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 2.94Å; L40-I44 HydrophobicContact CD1-CD1 4.22Å; L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 WeakPolarHBondContact O-CB 3.2Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.04Å; L40-I44 PolarHBondContact O-N 3.14Å; L40-R68 HydrophobicContact CD1-CG 3.58Å; L40-V71 HydrophobicContact CB-CG1 3.8Å; L40-V71 HydrophobicContact CD1-CG1 4.29Å; L40-K72 HydrophobicContact CD1-CG 4.41Å
41Q93.4Very high91.3Very high141 Ų14152.8 Ų52.866%0.65926%0.259SS*.Hα-helixtrans-64.5-42.7174.6-67.2-178.913.100112A37 E38 L39 I43 I44 Q45A37-Q41 PolarHBondContact O-N 3.09Å; E38-Q41 PolarHBondContact O-N 2.96Å; E38-Q41 VanDerWaalsContact O-N 3.17Å; L39-Q41 PolarHBondContact O-N 3.39Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 3.05Å; Q41-I44 PolarHBondContact O-N 2.82Å; Q41-Q45 PolarHBondContact O-N 2.65Å
42K93.9Very high91.1Very high83 Ų8357.5 Ų57.536%0.36127%0.274SS..Hα-helixtrans-62-38.9177.6-68161.2-167.31670111.4F13 E38 L39 L46F13-K42 HydrophobicContact CE1-CB 4.39Å; F13-K42 HydrophobicContact CE2-CB 3.94Å; F13-K42 WeakPolarHBondContact CE2-O 3.27Å; F13-K42 HydrophobicContact CZ-CB 3.79Å; E38-K42 WeakPolarHBondContact O-CD 3.24Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.27Å; E38-K42 PolarHBondContact O-N 2.99Å; E38-K42 IonicContact OE2-NZ 3.76Å; E38-K42 PolarHBondContact OE2-NZ 2.69Å; L39-K42 PolarHBondContact O-N 3.16Å; K42-L46 PolarHBondContact O-N 3.04Å
43I93.6Very high90.7Very high0 Ų058.5 Ų58.50%028%0.282CS..Hα-helixtrans-69.1-47.6173.9-64.3156.7000111.3F13 L39 L40 Q41 Q45 L46 E47 I67 R68 V71F13-I43 HydrophobicContact CB-CG1 4.12Å; F13-I43 HydrophobicContact CD2-CG1 3.81Å; F13-I43 HydrophobicContact CG-CG1 4.28Å; L39-I43 HydrophobicContact CD1-CD1 4.24Å; L39-I43 HydrophobicContact CD1-CG1 4.42Å; L39-I43 HydrophobicContact CG-CD1 3.89Å; L39-I43 WeakPolarHBondContact O-CD1 3.07Å; L39-I43 VanDerWaalsContact O-CG1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.03Å; L39-I43 PolarHBondContact O-N 2.82Å; L40-I43 PolarHBondContact O-N 2.94Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 3.05Å; I43-Q45 PolarHBondContact O-N 2.69Å; I43-L46 CarbonylContact O-C 3.32Å; I43-L46 WeakPolarHBondContact O-CA 3.13Å; I43-L46 WeakPolarHBondContact O-CB 3.5Å; I43-L46 PolarHBondContact O-N 2.84Å; I43-E47 HydrophobicContact CG2-CG 4.48Å; I43-E47 PolarHBondContact O-N 3.36Å; I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 HydrophobicContact CG1-CG2 4.39Å; I43-R68 HydrophobicContact CG2-CB 3.75Å; I43-R68 HydrophobicContact CG2-CG 4.37Å; I43-V71 HydrophobicContact CD1-CB 4.32Å; I43-V71 HydrophobicContact CD1-CG2 3.69Å
44I92.7Very high90.3Very high68 Ų6860.1 Ų60.135%0.34930%0.304SS..Hα-helixtrans-58.9-32.7177.4-72165.7000111.4L40 Q41 K48L40-I44 HydrophobicContact CD1-CD1 4.22Å; L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 WeakPolarHBondContact O-CB 3.2Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.04Å; L40-I44 PolarHBondContact O-N 3.14Å; Q41-I44 PolarHBondContact O-N 2.82Å; I44-K48 WeakPolarHBondContact O-CG 3.04Å; I44-K48 PolarHBondContact O-N 2.94Å
45Q91.3Very high89.7Confident81 Ų8157.3 Ų57.338%0.37929%0.287SS..Hα-helixtrans-72.1-42.7171.4-17354.244.500112.1Q41 I43 E47 K48 D49Q41-Q45 PolarHBondContact O-N 2.65Å; I43-Q45 PolarHBondContact O-N 2.69Å; Q45-E47 VanDerWaalsContact C-N 3.28Å; Q45-E47 PolarHBondContact O-N 3.26Å; Q45-K48 WeakPolarHBondContact O-CB 3.39Å; Q45-K48 PolarHBondContact O-N 3.32Å; Q45-K48 VanDerWaalsContact O-N 3.09Å; Q45-D49 PolarHBondContact NE2-OD1 2.87Å; Q45-D49 PolarHBondContact O-N 3.22Å
46L90.6Very high89Confident0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-60.1-35.9174.9-176.565.9000112.5L6 R9 L10 F13 K42 I43 K48 D49 I50L6-L46 HydrophobicContact CB-CD1 4.43Å; L6-L46 HydrophobicContact CD2-CD1 3.55Å; R9-L46 HydrophobicContact CB-CD1 4.05Å; R9-L46 HydrophobicContact CB-CD2 4.27Å; L10-L46 HydrophobicContact CB-CD2 3.94Å; L10-L46 HydrophobicContact CD1-CD2 3.63Å; L10-L46 HydrophobicContact CG-CD2 4.42Å; F13-L46 HydrophobicContact CD2-CB 4.45Å; F13-L46 HydrophobicContact CD2-CD2 3.66Å; F13-L46 HydrophobicContact CE2-CB 4.05Å; F13-L46 HydrophobicContact CE2-CD2 3.86Å; K42-L46 PolarHBondContact O-N 3.04Å; I43-L46 CarbonylContact O-C 3.32Å; I43-L46 WeakPolarHBondContact O-CA 3.13Å; I43-L46 WeakPolarHBondContact O-CB 3.5Å; I43-L46 PolarHBondContact O-N 2.84Å; L46-K48 PolarHBondContact O-N 2.79Å; L46-D49 PolarHBondContact O-N 3.21Å; L46-I50 HydrophobicContact CG-CD1 4.03Å; L46-I50 WeakPolarHBondContact O-CB 2.96Å; L46-I50 WeakPolarHBondContact O-CD1 3.49Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 2.77Å
47E91.2Very high88.3Confident28 Ų2868.2 Ų68.213%0.13134%0.338CS..Hα-helixtrans-61-41.2172.7-70.3-166.9112.900112.1I43 Q45 I50 Q51 A64 R68I43-E47 HydrophobicContact CG2-CG 4.48Å; I43-E47 PolarHBondContact O-N 3.36Å; Q45-E47 VanDerWaalsContact C-N 3.28Å; Q45-E47 PolarHBondContact O-N 3.26Å; E47-I50 PolarHBondContact O-N 3.48Å; E47-Q51 VanDerWaalsContact O-CG 3.24Å; E47-Q51 WeakPolarHBondContact O-CG 3.28Å; E47-Q51 PolarHBondContact O-N 3.42Å; E47-A64 HydrophobicContact CG-CB 3.79Å; E47-R68 IonicContact OE1-CZ 2.76Å; E47-R68 IonicContact OE1-NH1 2.99Å; E47-R68 PolarHBondContact OE1-NH1 2.93Å; E47-R68 WeakPolarHBondContact OE2-CD 3.47Å; E47-R68 IonicContact OE2-CZ 2.72Å; E47-R68 IonicContact OE2-NH1 2.7Å; E47-R68 PolarHBondContact OE2-NH1 3.36Å
48K90.6Very high88Confident96 Ų9668.9 Ų68.942%0.41734%0.341SS..Hα-helixtrans-66.7-42.3173.9-63167.6-167.3170.20111.5I44 Q45 L46 I50 Q51 Q52I44-K48 WeakPolarHBondContact O-CG 3.04Å; I44-K48 PolarHBondContact O-N 2.94Å; Q45-K48 WeakPolarHBondContact O-CB 3.39Å; Q45-K48 PolarHBondContact O-N 3.32Å; Q45-K48 VanDerWaalsContact O-N 3.09Å; L46-K48 PolarHBondContact O-N 2.79Å; K48-I50 VanDerWaalsContact C-N 3.3Å; K48-I50 PolarHBondContact O-N 3.13Å; K48-Q51 PolarHBondContact O-N 3.37Å; K48-Q52 WeakPolarHBondContact O-CG 3.35Å; K48-Q52 PolarHBondContact O-N 2.8Å
49D89.9Confident87.5Confident38 Ų3869.7 Ų69.720%0.20334%0.344CS..Hα-helixtrans-60.8-40.4177.2-58.6-14.2000111L6 R9 Q45 L46 S53L6-D49 HydrophobicContact CD2-CB 3.75Å; R9-D49 IonicContact CZ-OD2 2.6Å; R9-D49 IonicContact NH1-OD2 3.01Å; R9-D49 PolarHBondContact NH1-OD2 2.89Å; R9-D49 IonicContact NH2-OD2 3.26Å; R9-D49 PolarHBondContact NH2-OD2 3.36Å; Q45-D49 PolarHBondContact NE2-OD1 2.87Å; Q45-D49 PolarHBondContact O-N 3.22Å; L46-D49 PolarHBondContact O-N 3.21Å; D49-S53 WeakPolarHBondContact O-CB 3.29Å; D49-S53 PolarHBondContact O-N 3.27Å; D49-S53 PolarHBondContact O-OG 3.47Å
50I88.5Confident87.2Confident1 Ų169.8 Ų69.81%0.00535%0.345CS..Hα-helixtrans-63.9-49.1174.8-70.8163.1000110.5L6 L46 E47 K48 Q52 S53 A55 L60 P61 A64L6-I50 HydrophobicContact CB-CG1 4.37Å; L6-I50 HydrophobicContact CD1-CG1 4.13Å; L6-I50 HydrophobicContact CD2-CG1 4.34Å; L46-I50 HydrophobicContact CG-CD1 4.03Å; L46-I50 WeakPolarHBondContact O-CB 2.96Å; L46-I50 WeakPolarHBondContact O-CD1 3.49Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 2.77Å; E47-I50 PolarHBondContact O-N 3.48Å; K48-I50 VanDerWaalsContact C-N 3.3Å; K48-I50 PolarHBondContact O-N 3.13Å; I50-Q52 VanDerWaalsContact C-N 3.29Å; I50-Q52 PolarHBondContact O-N 2.95Å; I50-S53 PolarHBondContact O-N 3.44Å; I50-S53 PolarHBondContact O-OG 2.9Å; I50-A55 HydrophobicContact CG2-CB 4.26Å; I50-L60 HydrophobicContact CD1-CB 4.11Å; I50-L60 HydrophobicContact CG2-CB 4.48Å; I50-P61 HydrophobicContact CG2-CB 4.4Å; I50-P61 HydrophobicContact CG2-CG 3.74Å; I50-A64 HydrophobicContact CD1-CB 4.07Å
51Q85.8Confident87Confident122 Ų12269.5 Ų69.557%0.5735%0.345SS*.Hα-helixtrans-60-34.3179.3-73.8169.219.800113.6E47 K48 S53E47-Q51 VanDerWaalsContact O-CG 3.24Å; E47-Q51 WeakPolarHBondContact O-CG 3.28Å; E47-Q51 PolarHBondContact O-N 3.42Å; K48-Q51 PolarHBondContact O-N 3.37Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.91Å
52Q86.1Confident86.6Confident167 Ų16770.1 Ų70.178%0.7835%0.348SS*.THydrogen-bonded Turntrans-80-4.1177.2-68.517916.400113.6K48 I50K48-Q52 WeakPolarHBondContact O-CG 3.35Å; K48-Q52 PolarHBondContact O-N 2.8Å; I50-Q52 VanDerWaalsContact C-N 3.29Å; I50-Q52 PolarHBondContact O-N 2.95Å
53S83.4Confident86.4Confident32 Ų3267.3 Ų67.322%0.22434%0.34CS..SBendtrans-114169.9-173.779.60000113.1L6 D49 I50 Q51 A55 Q56L6-S53 WeakPolarHBondContact CD1-OG 3.42Å; D49-S53 WeakPolarHBondContact O-CB 3.29Å; D49-S53 PolarHBondContact O-N 3.27Å; D49-S53 PolarHBondContact O-OG 3.47Å; I50-S53 PolarHBondContact O-N 3.44Å; I50-S53 PolarHBondContact O-OG 2.9Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.91Å; S53-A55 PolarHBondContact O-N 3.48Å; S53-A55 VanDerWaalsContact O-N 3.13Å; S53-A55 WeakPolarHBondContact OG-CB 3.38Å; S53-A55 PolarHBondContact OG-N 3.37Å; S53-Q56 PolarHBondContact O-N 3.25Å
54S80.8Confident86.2Confident104 Ų10467.3 Ų67.373%0.72734%0.34SS*.G310 helixtrans-64.3-10.1169.453.30000113.9Q56S54-Q56 PolarHBondContact O-N 3.48Å
55A77.3Confident86.1Confident1 Ų165.3 Ų65.31%0.00833%0.334CS..G310 helixtrans-68.7-16.1177.400000113.9T3 L6 I50 S53 K57 S58 L60T3-A55 HydrophobicContact CG2-CB 4.01Å; L6-A55 HydrophobicContact CD1-CB 3.91Å; I50-A55 HydrophobicContact CG2-CB 4.26Å; S53-A55 PolarHBondContact O-N 3.48Å; S53-A55 VanDerWaalsContact O-N 3.13Å; S53-A55 WeakPolarHBondContact OG-CB 3.38Å; S53-A55 PolarHBondContact OG-N 3.37Å; A55-K57 PolarHBondContact O-N 3.22Å; A55-S58 WeakPolarHBondContact O-CB 3.48Å; A55-S58 PolarHBondContact O-N 2.7Å; A55-S58 PolarHBondContact O-OG 3.24Å; A55-L60 HydrophobicContact CB-CD1 4.08Å
56Q77Confident86.1Confident90 Ų9067.2 Ų67.242%0.42134%0.342SS..G310 helixtrans-60.4-12.9-178.8-171.957.919.900114.3S53 S54S53-Q56 PolarHBondContact O-N 3.25Å; S54-Q56 PolarHBondContact O-N 3.48Å
57K78.2Confident86.2Confident212 Ų21267.4 Ų67.492%0.92234%0.344SS*.G310 helixtrans-98.711.6173.1-62.6-173.7178.7-177.30114.4A55A55-K57 PolarHBondContact O-N 3.22Å
58S83Confident86.3Confident51 Ų5168.4 Ų68.436%0.35735%0.346SS..SBendtrans-106.9-175.2177.6740000111.5A55 L60 P61A55-S58 WeakPolarHBondContact O-CB 3.48Å; A55-S58 PolarHBondContact O-N 2.7Å; A55-S58 PolarHBondContact O-OG 3.24Å; S58-L60 PolarHBondContact O-N 3.43Å; S58-L60 WeakPolarHBondContact OG-CB 3.5Å; S58-L60 WeakPolarHBondContact OG-CG 3.42Å; S58-L60 PolarHBondContact OG-N 2.72Å; S58-P61 WeakPolarHBondContact O-CD 3.18Å
59H84.2Confident86.4Confident108 Ų10866.8 Ų66.850%0.534%0.342SS..SBendtrans-74.9-10.5172.964.1-94.8000113.6P61 E62 A63H59-P61 VanDerWaalsContact C-CD 3.41Å; H59-E62 PolarHBondContact O-N 2.93Å; H59-E62 VanDerWaalsContact O-N 3.08Å; H59-A63 PolarHBondContact O-N 3.28Å; H59-A63 VanDerWaalsContact O-N 3.08Å
60L86.8Confident86.5Confident4 Ų467.5 Ų67.52%0.02135%0.346CS..Hα-helixtrans-59.9-34.4-173.9-63.5172.6000114.9L6 Q7 L10 I50 A55 S58 E62 A64L6-L60 HydrophobicContact CB-CD1 4.5Å; Q7-L60 HydrophobicContact CB-CD1 4.3Å; Q7-L60 HydrophobicContact CB-CD2 3.89Å; Q7-L60 HydrophobicContact CG-CD2 3.95Å; L10-L60 HydrophobicContact CD2-CB 4.41Å; L10-L60 HydrophobicContact CD2-CD2 3.55Å; I50-L60 HydrophobicContact CD1-CB 4.11Å; I50-L60 HydrophobicContact CG2-CB 4.48Å; A55-L60 HydrophobicContact CB-CD1 4.08Å; S58-L60 PolarHBondContact O-N 3.43Å; S58-L60 WeakPolarHBondContact OG-CB 3.5Å; S58-L60 WeakPolarHBondContact OG-CG 3.42Å; S58-L60 PolarHBondContact OG-N 2.72Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 2.72Å; L60-A64 VanDerWaalsContact O-CB 3.23Å; L60-A64 WeakPolarHBondContact O-CB 3.45Å; L60-A64 PolarHBondContact O-N 3.03Å
61P87.8Confident86.8Confident33 Ų3367.5 Ų67.521%0.21435%0.346CS..Hα-helixtrans-65.1-33.8173.2-17.430000113.5I50 S58 H59 A65I50-P61 HydrophobicContact CG2-CB 4.4Å; I50-P61 HydrophobicContact CG2-CG 3.74Å; S58-P61 WeakPolarHBondContact O-CD 3.18Å; H59-P61 VanDerWaalsContact C-CD 3.41Å; P61-A65 WeakPolarHBondContact O-CB 3.36Å; P61-A65 PolarHBondContact O-N 3.2Å; P61-A65 VanDerWaalsContact O-N 3.09Å
62E86.1Confident87.1Confident154 Ų15465.9 Ų65.972%0.7234%0.337SS*.Hα-helixtrans-75.1-47.1-179.3-174170.7-156.100110.7H59 L60 A64 A65 E66H59-E62 PolarHBondContact O-N 2.93Å; H59-E62 VanDerWaalsContact O-N 3.08Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 2.72Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.83Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 3.1Å; E62-A65 VanDerWaalsContact O-N 3.15Å; E62-E66 PolarHBondContact O-N 3.41Å
63A89.3Confident87.3Confident23 Ų2362.8 Ų62.819%0.1933%0.326CS..Hα-helixtrans-63.5-34.3174.200000112.7L10 H59 E66 I67L10-A63 HydrophobicContact CD2-CB 3.8Å; H59-A63 PolarHBondContact O-N 3.28Å; H59-A63 VanDerWaalsContact O-N 3.08Å; A63-E66 PolarHBondContact O-N 3.4Å; A63-I67 WeakPolarHBondContact O-CD1 3.43Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.17Å; A63-I67 PolarHBondContact O-N 3.38Å
64A90.2Very high87.8Confident0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-68.1-37.2172.600000112.8L10 E47 I50 L60 E62 R68L10-A64 HydrophobicContact CD1-CB 3.74Å; E47-A64 HydrophobicContact CG-CB 3.79Å; I50-A64 HydrophobicContact CD1-CB 4.07Å; L60-A64 VanDerWaalsContact O-CB 3.23Å; L60-A64 WeakPolarHBondContact O-CB 3.45Å; L60-A64 PolarHBondContact O-N 3.03Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.83Å; A64-R68 VanDerWaalsContact O-CB 3.24Å; A64-R68 WeakPolarHBondContact O-CB 3.36Å; A64-R68 PolarHBondContact O-N 2.92Å
65A90.1Very high88.3Confident26 Ų2659 Ų5922%0.21530%0.295CS..Hα-helixtrans-65.3-39.7173.200000112.3P61 E62 R68 D69P61-A65 WeakPolarHBondContact O-CB 3.36Å; P61-A65 PolarHBondContact O-N 3.2Å; P61-A65 VanDerWaalsContact O-N 3.09Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 3.1Å; E62-A65 VanDerWaalsContact O-N 3.15Å; A65-R68 PolarHBondContact O-NH2 3.29Å; A65-D69 WeakPolarHBondContact O-CB 3.05Å; A65-D69 PolarHBondContact O-N 2.86Å; A65-D69 VanDerWaalsContact O-N 3.14Å
66E90.8Very high88.9Confident121 Ų12162.5 Ų62.557%0.56532%0.32SS*.Hα-helixtrans-62.1-54.3174.8-174.6175.6-157.700111.3E62 A63 R68 D69 D70E62-E66 PolarHBondContact O-N 3.41Å; A63-E66 PolarHBondContact O-N 3.4Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 PolarHBondContact O-N 3.43Å; E66-D69 PolarHBondContact O-N 2.96Å; E66-D70 PolarHBondContact O-N 3.13Å
67I92.4Very high89.7Confident5 Ų560.4 Ų60.43%0.02632%0.318CS..Hα-helixtrans-62.8-36.6-179.4-63.4158.7000111.6L10 E14 A17 I43 A63 D69 V71L10-I67 HydrophobicContact CD1-CD1 3.66Å; L10-I67 HydrophobicContact CG-CD1 3.78Å; E14-I67 HydrophobicContact CB-CD1 3.61Å; E14-I67 HydrophobicContact CB-CG1 4.09Å; E14-I67 HydrophobicContact CG-CD1 4Å; E14-I67 HydrophobicContact CG-CG1 4.12Å; A17-I67 HydrophobicContact CB-CG2 3.9Å; I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 HydrophobicContact CG1-CG2 4.39Å; A63-I67 WeakPolarHBondContact O-CD1 3.43Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.17Å; A63-I67 PolarHBondContact O-N 3.38Å; I67-D69 VanDerWaalsContact C-N 3.28Å; I67-D69 PolarHBondContact O-N 3.11Å; I67-V71 WeakPolarHBondContact O-CG2 3.27Å; I67-V71 PolarHBondContact O-N 3.49Å
68R94.6Very high90.3Very high49 Ų4950.4 Ų50.419%0.18528%0.275CS..Hα-helixtrans-59.9-40.5172.8-176.7-164.358.9-132.1-15.3111.6L40 I43 E47 A64 A65 E66 V71 K72L40-R68 HydrophobicContact CD1-CG 3.58Å; I43-R68 HydrophobicContact CG2-CB 3.75Å; I43-R68 HydrophobicContact CG2-CG 4.37Å; E47-R68 IonicContact OE1-CZ 2.76Å; E47-R68 IonicContact OE1-NH1 2.99Å; E47-R68 PolarHBondContact OE1-NH1 2.93Å; E47-R68 WeakPolarHBondContact OE2-CD 3.47Å; E47-R68 IonicContact OE2-CZ 2.72Å; E47-R68 IonicContact OE2-NH1 2.7Å; E47-R68 PolarHBondContact OE2-NH1 3.36Å; A64-R68 VanDerWaalsContact O-CB 3.24Å; A64-R68 WeakPolarHBondContact O-CB 3.36Å; A64-R68 PolarHBondContact O-N 2.92Å; A65-R68 PolarHBondContact O-NH2 3.29Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 PolarHBondContact O-N 3.43Å; R68-V71 PolarHBondContact O-N 3.34Å; R68-K72 WeakPolarHBondContact O-CG 3.23Å; R68-K72 PolarHBondContact O-N 3.31Å; R68-K72 VanDerWaalsContact O-N 3.09Å
69D92.1Very high90.7Very high61 Ų6155.8 Ų55.833%0.32629%0.287SS..Hα-helixtrans-81.9-29.7-174.8-65.1-5.3000111.2A65 E66 I67 K72 N73A65-D69 WeakPolarHBondContact O-CB 3.05Å; A65-D69 PolarHBondContact O-N 2.86Å; A65-D69 VanDerWaalsContact O-N 3.14Å; E66-D69 PolarHBondContact O-N 2.96Å; I67-D69 VanDerWaalsContact C-N 3.28Å; I67-D69 PolarHBondContact O-N 3.11Å; D69-K72 WeakPolarHBondContact O-CB 3.05Å; D69-K72 PolarHBondContact O-N 2.71Å; D69-K72 VanDerWaalsContact OD1-CE 3.29Å; D69-K72 WeakPolarHBondContact OD1-CE 3.18Å; D69-K72 IonicContact OD1-NZ 3.6Å; D69-K72 PolarHBondContact OD1-NZ 2.77Å; D69-N73 PolarHBondContact O-N 2.85Å; D69-N73 PolarHBondContact O-ND2 2.79Å; D69-N73 VanDerWaalsContact O-ND2 3.12Å
70D92.8Very high91.2Very high54 Ų5454.8 Ų54.829%0.28928%0.28SS..Hα-helixtrans-55.8-48161.2-89.8-4.8000111.7E66 K72 N73 N74E66-D70 PolarHBondContact O-N 3.13Å; D70-K72 VanDerWaalsContact C-N 3.3Å; D70-K72 PolarHBondContact O-N 3.01Å; D70-N73 WeakPolarHBondContact O-CA 3.3Å; D70-N73 WeakPolarHBondContact O-CB 3.42Å; D70-N73 PolarHBondContact O-N 2.72Å; D70-N74 VanDerWaalsContact O-CG 3.24Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact O-OD1 2.75Å
71V93.5Very high91.5Very high0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-65.1-31.5178172.60000112.4A17 Q36 L39 L40 I43 I67 R68 T75A17-V71 HydrophobicContact CB-CG2 3.55Å; Q36-V71 HydrophobicContact CB-CG1 4.31Å; Q36-V71 VanDerWaalsContact O-CG1 3.26Å; Q36-V71 WeakPolarHBondContact O-CG1 3.19Å; L39-V71 HydrophobicContact CD2-CG2 3.72Å; L39-V71 HydrophobicContact CG-CG2 4.04Å; L40-V71 HydrophobicContact CB-CG1 3.8Å; L40-V71 HydrophobicContact CD1-CG1 4.29Å; I43-V71 HydrophobicContact CD1-CB 4.32Å; I43-V71 HydrophobicContact CD1-CG2 3.69Å; I67-V71 WeakPolarHBondContact O-CG2 3.27Å; I67-V71 PolarHBondContact O-N 3.49Å; R68-V71 PolarHBondContact O-N 3.34Å; V71-T75 WeakPolarHBondContact O-CB 3.12Å; V71-T75 PolarHBondContact O-N 3.21Å; V71-T75 PolarHBondContact O-OG1 2.77Å
72K91.7Very high91.6Very high89 Ų8957.2 Ų57.239%0.38729%0.289SS..Hα-helixtrans-65.5-44.5169.1-67.7170.3-168.9163.70111.3L40 R68 D69 D70 T75 S76L40-K72 HydrophobicContact CD1-CG 4.41Å; R68-K72 WeakPolarHBondContact O-CG 3.23Å; R68-K72 PolarHBondContact O-N 3.31Å; R68-K72 VanDerWaalsContact O-N 3.09Å; D69-K72 WeakPolarHBondContact O-CB 3.05Å; D69-K72 PolarHBondContact O-N 2.71Å; D69-K72 VanDerWaalsContact OD1-CE 3.29Å; D69-K72 WeakPolarHBondContact OD1-CE 3.18Å; D69-K72 IonicContact OD1-NZ 3.6Å; D69-K72 PolarHBondContact OD1-NZ 2.77Å; D70-K72 VanDerWaalsContact C-N 3.3Å; D70-K72 PolarHBondContact O-N 3.01Å; K72-T75 PolarHBondContact O-N 2.71Å; K72-S76 PolarHBondContact O-N 3.28Å; K72-S76 PolarHBondContact O-OG 3.12Å
73N92Very high91.9Very high101 Ų10153.6 Ų53.654%0.5428%0.278SS..Hα-helixtrans-60.8-45.3177.2-65.7-33.6000111.2D69 D70 T75 S76 A77D69-N73 PolarHBondContact O-N 2.85Å; D69-N73 PolarHBondContact O-ND2 2.79Å; D69-N73 VanDerWaalsContact O-ND2 3.12Å; D70-N73 WeakPolarHBondContact O-CA 3.3Å; D70-N73 WeakPolarHBondContact O-CB 3.42Å; D70-N73 PolarHBondContact O-N 2.72Å; N73-T75 PolarHBondContact O-N 3.28Å; N73-S76 PolarHBondContact O-N 3.28Å; N73-A77 PolarHBondContact O-N 2.83Å
74N93.1Very high92.1Very high32 Ų3256.2 Ų56.217%0.17129%0.288CS..Hα-helixtrans-55.1-50.8172.3-65.6-17.4000111.3A17 V20 Q36 D70 S76 A77 L78A17-N74 PolarHBondContact O-ND2 3.19Å; V20-N74 HydrophobicContact CG2-CB 4.28Å; V20-N74 VanDerWaalsContact CG2-CG 3.48Å; V20-N74 VanDerWaalsContact CG2-ND2 3.33Å; V20-N74 WeakPolarHBondContact CG2-ND2 3.49Å; Q36-N74 HydrophobicContact CG-CB 4.25Å; Q36-N74 PolarHBondContact OE1-ND2 3.3Å; D70-N74 VanDerWaalsContact O-CG 3.24Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact O-OD1 2.75Å; N74-S76 VanDerWaalsContact C-N 3.29Å; N74-S76 PolarHBondContact O-N 2.92Å; N74-A77 PolarHBondContact O-N 3.16Å; N74-L78 WeakPolarHBondContact O-CB 2.98Å; N74-L78 VanDerWaalsContact O-CG 3.29Å; N74-L78 WeakPolarHBondContact O-CG 3.33Å; N74-L78 PolarHBondContact O-N 2.68Å
75T91.1Very high92.2Very high24 Ų2456.5 Ų56.515%0.14729%0.29CS..Hα-helixtrans-60.6-38179.5-56.50000111.9V71 K72 N73 R79V71-T75 WeakPolarHBondContact O-CB 3.12Å; V71-T75 PolarHBondContact O-N 3.21Å; V71-T75 PolarHBondContact O-OG1 2.77Å; K72-T75 PolarHBondContact O-N 2.71Å; N73-T75 PolarHBondContact O-N 3.28Å; T75-R79 PolarHBondContact O-N 3.1Å; T75-R79 VanDerWaalsContact O-N 3.13Å
76S90.5Very high92.1Very high76 Ų7658.9 Ų58.953%0.53130%0.297SS..Hα-helixtrans-69.2-40.3175.3-64.70000112.8K72 N73 N74 Y80K72-S76 PolarHBondContact O-N 3.28Å; K72-S76 PolarHBondContact O-OG 3.12Å; N73-S76 PolarHBondContact O-N 3.28Å; N74-S76 VanDerWaalsContact C-N 3.29Å; N74-S76 PolarHBondContact O-N 2.92Å; S76-Y80 PolarHBondContact O-N 3.03Å; S76-Y80 VanDerWaalsContact O-N 3.11Å
77A92.5Very high92.2Very high45 Ų4557.7 Ų57.737%0.37229%0.294SS..Hα-helixtrans-65.4-41.9175.200000111.7N73 N74 Y80 L81N73-A77 PolarHBondContact O-N 2.83Å; N74-A77 PolarHBondContact O-N 3.16Å; A77-Y80 WeakPolarHBondContact O-CB 3.27Å; A77-Y80 PolarHBondContact O-N 3.43Å; A77-L81 WeakPolarHBondContact O-CG 3.06Å; A77-L81 PolarHBondContact O-N 2.9Å
78L92.8Very high92.3Very high2 Ų261.2 Ų61.21%0.0131%0.31CS..Hα-helixtrans-60.8-48.6176.1-70.9163.6000111.4I22 L29 E32 R33 Q36 N74 Y80 L81 E82I22-L78 HydrophobicContact CG1-CD2 4.4Å; L29-L78 HydrophobicContact CD2-CD2 3.77Å; E32-L78 HydrophobicContact CB-CD1 4.5Å; E32-L78 HydrophobicContact CB-CD2 4.27Å; E32-L78 HydrophobicContact CG-CD1 3.82Å; E32-L78 HydrophobicContact CG-CD2 3.85Å; R33-L78 HydrophobicContact CB-CD1 4.48Å; Q36-L78 HydrophobicContact CB-CD1 4.44Å; Q36-L78 HydrophobicContact CG-CD1 3.75Å; N74-L78 WeakPolarHBondContact O-CB 2.98Å; N74-L78 VanDerWaalsContact O-CG 3.29Å; N74-L78 WeakPolarHBondContact O-CG 3.33Å; N74-L78 PolarHBondContact O-N 2.68Å; L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 PolarHBondContact O-N 3.23Å; L78-L81 PolarHBondContact O-N 3.39Å; L78-E82 WeakPolarHBondContact O-CB 2.86Å; L78-E82 PolarHBondContact O-N 3.23Å
79R90.5Very high92.2Very high164 Ų16463.2 Ų63.262%0.61932%0.324SS*.Hα-helixtrans-59.1-35.8173.9-75.6-162.9-160.9158.53.7113.4T75 E82 T83T75-R79 PolarHBondContact O-N 3.1Å; T75-R79 VanDerWaalsContact O-N 3.13Å; R79-E82 VanDerWaalsContact O-CB 3.32Å; R79-E82 WeakPolarHBondContact O-CB 3.36Å; R79-E82 PolarHBondContact O-N 2.85Å; R79-T83 PolarHBondContact O-N 2.68Å
80Y93.7Very high92.2Very high87 Ų8763.9 Ų63.934%0.34133%0.334SS..Hα-helixtrans-65.6-45.3178170.6-111000111S76 A77 L78 E82 T83 H150 H154S76-Y80 PolarHBondContact O-N 3.03Å; S76-Y80 VanDerWaalsContact O-N 3.11Å; A77-Y80 WeakPolarHBondContact O-CB 3.27Å; A77-Y80 PolarHBondContact O-N 3.43Å; L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 PolarHBondContact O-N 3.23Å; Y80-E82 VanDerWaalsContact C-N 3.33Å; Y80-T83 PolarHBondContact O-N 3.04Å; Y80-T83 PolarHBondContact O-OG1 3.39Å; Y80-H150 AromaticContact CE2-NE2 3.96Å; Y80-H150 AromaticContact CZ-CE1 3.8Å; Y80-H150 AromaticContact CZ-NE2 3.69Å; Y80-H150 PolarHBondContact OH-CE1 2.99Å; Y80-H150 PolarHBondContact OH-NE2 2.83Å; Y80-H154 AromaticContact CE1-CE1 3.54Å; Y80-H154 AromaticContact CE1-ND1 3.41Å; Y80-H154 WeakPolarHBondContact CE1-ND1 3.32Å; Y80-H154 AromaticContact CZ-ND1 3.48Å; Y80-H154 PolarHBondContact OH-ND1 2.72Å
81L94.4Very high92.2Very high55 Ų5566.5 Ų66.529%0.28834%0.343SS..Hα-helixtrans-66.3-34.8174-63.8173.2000112.4I22 L29 A77 L78 T83 I84 S85I22-L81 HydrophobicContact CD1-CD1 4.48Å; I22-L81 HydrophobicContact CG2-CD1 3.47Å; I22-L81 VanDerWaalsContact CG2-CD1 3.47Å; L29-L81 HydrophobicContact CD1-CB 4Å; L29-L81 HydrophobicContact CD2-CB 4.06Å; L29-L81 HydrophobicContact CD2-CD1 4.29Å; A77-L81 WeakPolarHBondContact O-CG 3.06Å; A77-L81 PolarHBondContact O-N 2.9Å; L78-L81 PolarHBondContact O-N 3.39Å; L81-T83 VanDerWaalsContact C-N 3.25Å; L81-T83 PolarHBondContact O-N 2.9Å; L81-I84 WeakPolarHBondContact O-CB 3.49Å; L81-I84 PolarHBondContact O-N 3.42Å; L81-S85 PolarHBondContact O-N 3.46Å
82E90.2Very high92.3Very high33 Ų3369.8 Ų69.815%0.15436%0.363CS..Hα-helixtrans-52.7-43.6176.5-162.3-165.8131.800111L78 R79 Y80 I84 S85 Q86L78-E82 WeakPolarHBondContact O-CB 2.86Å; L78-E82 PolarHBondContact O-N 3.23Å; R79-E82 VanDerWaalsContact O-CB 3.32Å; R79-E82 WeakPolarHBondContact O-CB 3.36Å; R79-E82 PolarHBondContact O-N 2.85Å; Y80-E82 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 3.1Å; E82-I84 VanDerWaalsContact O-N 3.13Å; E82-S85 WeakPolarHBondContact CA-OG 3.44Å; E82-S85 CarbonylContact O-C 3.59Å; E82-S85 PolarHBondContact O-N 3.38Å; E82-S85 PolarHBondContact O-OG 3.21Å; E82-Q86 HydrophobicContact CG-CG 4.49Å; E82-Q86 WeakPolarHBondContact O-CG 3.23Å; E82-Q86 PolarHBondContact O-N 3.13Å; E82-Q86 PolarHBondContact OE1-NE2 3.42Å
83T90.5Very high92.4Very high79 Ų7969.2 Ų69.249%0.48537%0.367SS..Hα-helixtrans-60.1-24177.867.50000114.5R79 Y80 L81R79-T83 PolarHBondContact O-N 2.68Å; Y80-T83 PolarHBondContact O-N 3.04Å; Y80-T83 PolarHBondContact O-OG1 3.39Å; L81-T83 VanDerWaalsContact C-N 3.25Å; L81-T83 PolarHBondContact O-N 2.9Å
84I93.9Very high92.5Very high77 Ų7769.1 Ų69.140%0.39537%0.366SS..Hα-helixtrans-80-46172.9-50.4178.5000109.4L81 E82 Q86 L87L81-I84 WeakPolarHBondContact O-CB 3.49Å; L81-I84 PolarHBondContact O-N 3.42Å; E82-I84 PolarHBondContact O-N 3.1Å; E82-I84 VanDerWaalsContact O-N 3.13Å; I84-Q86 VanDerWaalsContact C-N 3.29Å; I84-Q86 PolarHBondContact O-N 3.44Å; I84-L87 VanDerWaalsContact O-CB 3.26Å; I84-L87 WeakPolarHBondContact O-CB 2.94Å; I84-L87 VanDerWaalsContact O-CG 3.29Å; I84-L87 WeakPolarHBondContact O-CG 2.96Å; I84-L87 PolarHBondContact O-N 2.99Å
85S92.4Very high92.6Very high6 Ų671.6 Ų71.64%0.04238%0.382CS..Hα-helixtrans-65.2-28.417869.90000113.8H26 L81 E82 L87 E88H26-S85 WeakPolarHBondContact CA-OG 3.05Å; L81-S85 PolarHBondContact O-N 3.46Å; E82-S85 WeakPolarHBondContact CA-OG 3.44Å; E82-S85 CarbonylContact O-C 3.59Å; E82-S85 PolarHBondContact O-N 3.38Å; E82-S85 PolarHBondContact O-OG 3.21Å; S85-L87 PolarHBondContact O-N 3.06Å; S85-E88 WeakPolarHBondContact O-CB 2.92Å; S85-E88 WeakPolarHBondContact O-CG 3.22Å; S85-E88 PolarHBondContact O-N 3.18Å
86Q89.4Confident92.8Very high77 Ų7775.6 Ų75.636%0.3640%0.399SS..THydrogen-bonded Turntrans-61-14.3174.1-75.1171.48.400113.4E82 I84 E88 N89E82-Q86 HydrophobicContact CG-CG 4.49Å; E82-Q86 WeakPolarHBondContact O-CG 3.23Å; E82-Q86 PolarHBondContact O-N 3.13Å; E82-Q86 PolarHBondContact OE1-NE2 3.42Å; I84-Q86 VanDerWaalsContact C-N 3.29Å; I84-Q86 PolarHBondContact O-N 3.44Å; Q86-E88 PolarHBondContact O-N 3.08Å; Q86-N89 WeakPolarHBondContact O-CB 3.31Å; Q86-N89 PolarHBondContact O-N 2.97Å; Q86-N89 PolarHBondContact O-ND2 2.93Å
87L93Very high93Very high96 Ų9676 Ų7650%0.50340%0.396SS..THydrogen-bonded Turntrans-64.3-22.5168.5-62.8175.4000112.8I84 S85 N89 S90 F91I84-L87 VanDerWaalsContact O-CB 3.26Å; I84-L87 WeakPolarHBondContact O-CB 2.94Å; I84-L87 VanDerWaalsContact O-CG 3.29Å; I84-L87 WeakPolarHBondContact O-CG 2.96Å; I84-L87 PolarHBondContact O-N 2.99Å; S85-L87 PolarHBondContact O-N 3.06Å; L87-N89 PolarHBondContact O-N 3.49Å; L87-S90 WeakPolarHBondContact O-CB 3.28Å; L87-S90 PolarHBondContact O-N 3.19Å; L87-F91 VanDerWaalsContact O-CD2 3.26Å; L87-F91 WeakPolarHBondContact O-CD2 3.34Å; L87-F91 PolarHBondContact O-N 2.91Å
88E92.8Very high93.1Very high78 Ų7876.7 Ų76.736%0.36440%0.395SS..Hα-helixtrans-49.4-43.5170.8-72.5168.2-142.900110.9N25 H26 S85 Q86 S90 F91 T92N25-E88 WeakPolarHBondContact CA-OE1 3.13Å; N25-E88 WeakPolarHBondContact CB-OE1 2.9Å; H26-E88 PolarHBondContact N-OE1 2.67Å; S85-E88 WeakPolarHBondContact O-CB 2.92Å; S85-E88 WeakPolarHBondContact O-CG 3.22Å; S85-E88 PolarHBondContact O-N 3.18Å; Q86-E88 PolarHBondContact O-N 3.08Å; E88-S90 PolarHBondContact O-N 3.13Å; E88-F91 PolarHBondContact O-N 3.15Å; E88-T92 PolarHBondContact O-N 2.71Å; E88-T92 PolarHBondContact O-OG1 2.79Å
89N92.7Very high93.2Very high91 Ų9180.4 Ų80.449%0.48742%0.418SS..Hα-helixtrans-58.6-33.4177.8-61.4-50.4000112.9Q86 L87 T92 V93Q86-N89 WeakPolarHBondContact O-CB 3.31Å; Q86-N89 PolarHBondContact O-N 2.97Å; Q86-N89 PolarHBondContact O-ND2 2.93Å; L87-N89 PolarHBondContact O-N 3.49Å; N89-T92 PolarHBondContact O-N 3.07Å; N89-V93 WeakPolarHBondContact O-CG2 3.36Å; N89-V93 PolarHBondContact O-N 2.88Å
90S92.6Very high93.4Very high76 Ų7677.6 Ų77.653%0.53141%0.412SS..Hα-helixtrans-72.7-33.2177.3-60.10000112L87 E88 L94L87-S90 WeakPolarHBondContact O-CB 3.28Å; L87-S90 PolarHBondContact O-N 3.19Å; E88-S90 PolarHBondContact O-N 3.13Å; S90-L94 WeakPolarHBondContact O-CB 3.42Å; S90-L94 PolarHBondContact O-N 2.86Å
91F93.2Very high93.4Very high109 Ų10976.3 Ų76.348%0.47841%0.413SS..Hα-helixtrans-73.1-36.4172.1-67.8-77000112L87 E88 L94 T95 I143L87-F91 VanDerWaalsContact O-CD2 3.26Å; L87-F91 WeakPolarHBondContact O-CD2 3.34Å; L87-F91 PolarHBondContact O-N 2.91Å; E88-F91 PolarHBondContact O-N 3.15Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-T95 WeakPolarHBondContact O-CB 3.4Å; F91-T95 PolarHBondContact O-N 2.82Å; F91-T95 PolarHBondContact O-OG1 3.36Å; F91-I143 HydrophobicContact CE1-CD1 3.95Å; F91-I143 HydrophobicContact CZ-CD1 3.66Å; F91-I143 HydrophobicContact CZ-CG1 4.46Å
92T94.2Very high93.4Very high69 Ų6976.2 Ų76.242%0.42342%0.417SS..Hα-helixtrans-59.1-55.5172.3-57.10000110.6E88 N89 L94 T95 E96E88-T92 PolarHBondContact O-N 2.71Å; E88-T92 PolarHBondContact O-OG1 2.79Å; N89-T92 PolarHBondContact O-N 3.07Å; T92-L94 VanDerWaalsContact C-N 3.3Å; T92-L94 PolarHBondContact O-N 3.35Å; T92-T95 CarbonylContact O-C 3.52Å; T92-T95 WeakPolarHBondContact O-CA 3.37Å; T92-T95 WeakPolarHBondContact O-CB 3.4Å; T92-T95 PolarHBondContact O-N 2.81Å; T92-E96 HydrophobicContact CG2-CG 4.45Å; T92-E96 WeakPolarHBondContact O-CG 3.5Å; T92-E96 PolarHBondContact O-N 3.25Å
93V95.4Very high93.6Very high76 Ų7679.7 Ų79.746%0.46144%0.44SS..Hα-helixtrans-60.2-37.2178.5170.60000112N89 N97N89-V93 WeakPolarHBondContact O-CG2 3.36Å; N89-V93 PolarHBondContact O-N 2.88Å; V93-N97 WeakPolarHBondContact CG1-ND2 3.33Å; V93-N97 WeakPolarHBondContact O-CB 3.25Å; V93-N97 VanDerWaalsContact O-CG 3.3Å; V93-N97 PolarHBondContact O-N 2.72Å; V93-N97 PolarHBondContact O-ND2 2.82Å
94L93.5Very high93.5Very high99 Ų9980.7 Ų80.752%0.51844%0.439SS..Hα-helixtrans-64.3-40.1173.317960.1000112.1S90 F91 T92 V98S90-L94 WeakPolarHBondContact O-CB 3.42Å; S90-L94 PolarHBondContact O-N 2.86Å; F91-L94 PolarHBondContact O-N 2.95Å; T92-L94 VanDerWaalsContact C-N 3.3Å; T92-L94 PolarHBondContact O-N 3.35Å; L94-V98 HydrophobicContact CD1-CG2 4.29Å; L94-V98 WeakPolarHBondContact O-CB 3.29Å; L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.2Å; L94-V98 PolarHBondContact O-N 2.68Å
95T94.3Very high93.4Very high85 Ų8582.1 Ų82.152%0.52145%0.447SS..Hα-helixtrans-69.1-41.9179.1-560000111.5F91 T92 V98 T99F91-T95 WeakPolarHBondContact O-CB 3.4Å; F91-T95 PolarHBondContact O-N 2.82Å; F91-T95 PolarHBondContact O-OG1 3.36Å; T92-T95 CarbonylContact O-C 3.52Å; T92-T95 WeakPolarHBondContact O-CA 3.37Å; T92-T95 WeakPolarHBondContact O-CB 3.4Å; T92-T95 PolarHBondContact O-N 2.81Å; T95-V98 PolarHBondContact O-N 2.75Å; T95-T99 WeakPolarHBondContact O-CB 3.47Å; T95-T99 WeakPolarHBondContact O-CG2 3.24Å; T95-T99 PolarHBondContact O-N 3.02Å; T95-T99 PolarHBondContact O-OG1 3.37Å
96E95.5Very high93.2Very high108 Ų10886.2 Ų86.251%0.50548%0.476SS..Hα-helixtrans-58.1-53.8172-70.8171.616200110.6T92 V98 T99 E100T92-E96 HydrophobicContact CG2-CG 4.45Å; T92-E96 WeakPolarHBondContact O-CG 3.5Å; T92-E96 PolarHBondContact O-N 3.25Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 2.98Å; E96-T99 PolarHBondContact O-N 3.28Å; E96-T99 PolarHBondContact O-OG1 3.35Å; E96-E100 VanDerWaalsContact O-CB 3.31Å; E96-E100 WeakPolarHBondContact O-CB 3.42Å; E96-E100 PolarHBondContact O-N 3.3Å
97N95.4Very high93Very high85 Ų8584.7 Ų84.746%0.45548%0.476SS..Hα-helixtrans-56.9-41.2177.8-76.2-53.8000113.4V93 T101V93-N97 WeakPolarHBondContact CG1-ND2 3.33Å; V93-N97 WeakPolarHBondContact O-CB 3.25Å; V93-N97 VanDerWaalsContact O-CG 3.3Å; V93-N97 PolarHBondContact O-N 2.72Å; V93-N97 PolarHBondContact O-ND2 2.82Å; N97-T101 VanDerWaalsContact O-CB 3.24Å; N97-T101 WeakPolarHBondContact O-CB 3.02Å; N97-T101 PolarHBondContact O-N 2.93Å; N97-T101 PolarHBondContact O-OG1 3.26Å
98V95.3Very high91.9Very high59 Ų5985.9 Ų85.936%0.35849%0.49SS..Hα-helixtrans-69.6-42179.21680000111.8L94 T95 E96 S102 W129L94-V98 HydrophobicContact CD1-CG2 4.29Å; L94-V98 WeakPolarHBondContact O-CB 3.29Å; L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.2Å; L94-V98 PolarHBondContact O-N 2.68Å; T95-V98 PolarHBondContact O-N 2.75Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 2.98Å; V98-S102 PolarHBondContact O-N 3.47Å; V98-S102 VanDerWaalsContact O-N 3.09Å; V98-W129 HydrophobicContact CG1-CZ3 4.29Å
99T94.3Very high91.1Very high79 Ų7991.1 Ų91.149%0.48551%0.512SS..Hα-helixtrans-71.6-43.2178.551.30000111.9T95 E96 S102 V103T95-T99 WeakPolarHBondContact O-CB 3.47Å; T95-T99 WeakPolarHBondContact O-CG2 3.24Å; T95-T99 PolarHBondContact O-N 3.02Å; T95-T99 PolarHBondContact O-OG1 3.37Å; E96-T99 PolarHBondContact O-N 3.28Å; E96-T99 PolarHBondContact O-OG1 3.35Å; T99-S102 WeakPolarHBondContact O-CB 3.31Å; T99-S102 PolarHBondContact O-N 2.87Å; T99-S102 VanDerWaalsContact O-N 3.16Å; T99-V103 WeakPolarHBondContact O-CG2 2.98Å; T99-V103 PolarHBondContact O-N 3.44Å
100E94.5Very high90.5Very high105 Ų10592.4 Ų92.449%0.49152%0.515SS..Hα-helixtrans-59-48.9173.3-178.9173.8-162.900111E96 S102 V103 Q104E96-E100 VanDerWaalsContact O-CB 3.31Å; E96-E100 WeakPolarHBondContact O-CB 3.42Å; E96-E100 PolarHBondContact O-N 3.3Å; E100-S102 PolarHBondContact O-N 2.84Å; E100-V103 PolarHBondContact O-N 3.49Å; E100-Q104 VanDerWaalsContact CD-NE2 3.29Å; E100-Q104 HydrophobicContact CG-CG 4.04Å; E100-Q104 WeakPolarHBondContact O-CG 3.3Å; E100-Q104 PolarHBondContact O-N 3.28Å; E100-Q104 PolarHBondContact OE1-NE2 2.87Å
101T94Very high90.1Very high61 Ų6192.6 Ų92.637%0.37451%0.509SS..Hα-helixtrans-55.8-41175.7-60.80000111.2N97 L105N97-T101 VanDerWaalsContact O-CB 3.24Å; N97-T101 WeakPolarHBondContact O-CB 3.02Å; N97-T101 PolarHBondContact O-N 2.93Å; N97-T101 PolarHBondContact O-OG1 3.26Å; T101-L105 HydrophobicContact CG2-CD1 3.76Å; T101-L105 HydrophobicContact CG2-CG 4.3Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.32Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.28Å; T101-L105 PolarHBondContact O-N 3.44Å
102S94.4Very high89.6Confident52 Ų5295.1 Ų95.136%0.36452%0.52SS..Hα-helixtrans-67.2-33.2176.6-168.50000113.2V98 T99 E100 S106V98-S102 PolarHBondContact O-N 3.47Å; V98-S102 VanDerWaalsContact O-N 3.09Å; T99-S102 WeakPolarHBondContact O-CB 3.31Å; T99-S102 PolarHBondContact O-N 2.87Å; T99-S102 VanDerWaalsContact O-N 3.16Å; E100-S102 PolarHBondContact O-N 2.84Å; S102-S106 WeakPolarHBondContact O-CB 3.33Å; S102-S106 PolarHBondContact O-N 3.24Å; S102-S106 PolarHBondContact O-OG 3.12Å
103V93.2Very high88.9Confident107 Ų10797.5 Ų97.565%0.64853%0.53SS*.Hα-helixtrans-75.3-46.8177.2171.30000110.9T99 E100 S106T99-V103 WeakPolarHBondContact O-CG2 2.98Å; T99-V103 PolarHBondContact O-N 3.44Å; E100-V103 PolarHBondContact O-N 3.49Å; V103-S106 WeakPolarHBondContact O-CB 2.96Å; V103-S106 PolarHBondContact O-N 2.82Å; V103-S106 VanDerWaalsContact O-N 3.11Å
104Q89.1Confident88.4Confident99 Ų9999.6 Ų99.646%0.46354%0.535SS..Hα-helixtrans-57.7-50.9176.5-68.9-179.63.400111E100 S106 A107E100-Q104 VanDerWaalsContact CD-NE2 3.29Å; E100-Q104 HydrophobicContact CG-CG 4.04Å; E100-Q104 WeakPolarHBondContact O-CG 3.3Å; E100-Q104 PolarHBondContact O-N 3.28Å; E100-Q104 PolarHBondContact OE1-NE2 2.87Å; Q104-S106 PolarHBondContact O-N 2.9Å; Q104-S106 VanDerWaalsContact O-N 3.13Å; Q104-A107 VanDerWaalsContact O-CB 3.25Å; Q104-A107 WeakPolarHBondContact O-CB 2.96Å; Q104-A107 PolarHBondContact O-N 3.37Å
105L91.3Very high87.8Confident107 Ų10797.1 Ų97.156%0.5652%0.524SS*.THydrogen-bonded Turntrans-67.4-11.3178.1-66.3177.2000114.3T101 E110T101-L105 HydrophobicContact CG2-CD1 3.76Å; T101-L105 HydrophobicContact CG2-CG 4.3Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.32Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.28Å; T101-L105 PolarHBondContact O-N 3.44Å; L105-E110 HydrophobicContact CD2-CG 4.17Å
106S89.1Confident87.1Confident92 Ų9298.2 Ų98.264%0.64352%0.523SS*.THydrogen-bonded Turntrans-88.8-4.4172.9-61.90000113.3S102 V103 Q104S102-S106 WeakPolarHBondContact O-CB 3.33Å; S102-S106 PolarHBondContact O-N 3.24Å; S102-S106 PolarHBondContact O-OG 3.12Å; V103-S106 WeakPolarHBondContact O-CB 2.96Å; V103-S106 PolarHBondContact O-N 2.82Å; V103-S106 VanDerWaalsContact O-N 3.11Å; Q104-S106 PolarHBondContact O-N 2.9Å; Q104-S106 VanDerWaalsContact O-N 3.13Å
107A85.9Confident86.3Confident45 Ų4599.2 Ų99.237%0.37254%0.536SS..SBendtrans-68.3131.7178.800000111.1Q104 K109 E110Q104-A107 VanDerWaalsContact O-CB 3.25Å; Q104-A107 WeakPolarHBondContact O-CB 2.96Å; Q104-A107 PolarHBondContact O-N 3.37Å; A107-K109 PolarHBondContact O-N 2.92Å; A107-E110 PolarHBondContact O-N 3.01Å
108P70.1Confident85.9Confident122 Ų122102.2 Ų102.279%0.79255%0.545SS*.THydrogen-bonded Turntrans-7425.3-169.431.4-38.2000115.1
109K75.5Confident85.6Confident187 Ų187106 Ų10681%0.81356%0.556SS**THydrogen-bonded Turntrans-143.4-1.3176.2-64.8-172.4179.2177.70114.1A107 L111A107-K109 PolarHBondContact O-N 2.92Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.81Å
110E80.6Confident85.3Confident119 Ų119110.4 Ų110.456%0.55657%0.572SS**SBendtrans-65.5-34.6-174.7-162.556.7-149.800112L105 A107L105-E110 HydrophobicContact CD2-CG 4.17Å; A107-E110 PolarHBondContact O-N 3.01Å
111L82.4Confident85Confident79 Ų79107.9 Ų107.941%0.41456%0.561SS.*SBendtrans-105.2129.4165.4-77.4168.1000109.8K109 V115 H116 L121K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.81Å; L111-V115 HydrophobicContact CD2-CG1 4.37Å; L111-H116 VanDerWaalsContact CB-CE1 3.43Å; L111-H116 WeakPolarHBondContact CB-CE1 3.39Å; L111-H116 WeakPolarHBondContact CB-NE2 3.46Å; L111-H116 PolarHBondContact O-CE1 2.77Å; L111-L121 HydrophobicContact CD1-CD1 4.34Å
112K83.3Confident84.8Confident162 Ų162110.1 Ų110.170%0.70458%0.575SS**  trans-60.2138.6173.9-61.3-177.7179.9-176.80110.4E114 V115K112-E114 PolarHBondContact O-N 2.68Å; K112-E114 VanDerWaalsContact O-N 3.09Å; K112-V115 HydrophobicContact CB-CG2 4.42Å; K112-V115 WeakPolarHBondContact O-CB 3.17Å; K112-V115 PolarHBondContact O-N 2.79Å
113D80.6Confident84.7Confident120 Ų120109.7 Ų109.764%0.64258%0.579SS**Hα-helixtrans-53.7-35-178.4-58.6-43.8000113.8V115 H116 V117D113-V115 PolarHBondContact O-N 3.2Å; D113-H116 PolarHBondContact O-N 3.46Å; D113-H116 VanDerWaalsContact O-N 3.14Å; D113-V117 WeakPolarHBondContact O-CG2 3.44Å; D113-V117 PolarHBondContact O-N 3.07Å
114E83.1Confident84.7Confident119 Ų119109.3 Ų109.356%0.55657%0.574SS**Hα-helixtrans-54-33.8172.6-72.4-168.8-11700113.5K112 K118K112-E114 PolarHBondContact O-N 2.68Å; K112-E114 VanDerWaalsContact O-N 3.09Å; E114-K118 HydrophobicContact CB-CD 4.46Å; E114-K118 WeakPolarHBondContact O-CB 3.42Å; E114-K118 VanDerWaalsContact O-CD 3.31Å; E114-K118 WeakPolarHBondContact O-CD 2.95Å; E114-K118 WeakPolarHBondContact O-CG 3.49Å; E114-K118 PolarHBondContact O-N 3.22Å; E114-K118 IonicContact OE2-NZ 3.1Å; E114-K118 PolarHBondContact OE2-NZ 3.25Å
115V82.9Confident84.9Confident47 Ų47108.2 Ų108.229%0.28557%0.573SS.*Hα-helixtrans-73.7-43.3179.1-175.10000110.3L111 K112 D113 V117 K118 K119 L121L111-V115 HydrophobicContact CD2-CG1 4.37Å; K112-V115 HydrophobicContact CB-CG2 4.42Å; K112-V115 WeakPolarHBondContact O-CB 3.17Å; K112-V115 PolarHBondContact O-N 2.79Å; D113-V115 PolarHBondContact O-N 3.2Å; V115-V117 VanDerWaalsContact C-N 3.26Å; V115-V117 PolarHBondContact O-N 2.98Å; V115-K118 PolarHBondContact O-N 2.78Å; V115-K119 PolarHBondContact O-N 2.93Å; V115-L121 HydrophobicContact CG1-CD1 3.95Å
116H78.7Confident85.1Confident109 Ų109110.4 Ų110.451%0.50558%0.578SS.*Hα-helixtrans-59.3-36.6174.9-63126.5000112.2L111 D113L111-H116 VanDerWaalsContact CB-CE1 3.43Å; L111-H116 WeakPolarHBondContact CB-CE1 3.39Å; L111-H116 WeakPolarHBondContact CB-NE2 3.46Å; L111-H116 PolarHBondContact O-CE1 2.77Å; D113-H116 PolarHBondContact O-N 3.46Å; D113-H116 VanDerWaalsContact O-N 3.14Å
117V79.3Confident85.3Confident128 Ų128109.5 Ų109.578%0.77657%0.572SS**Hα-helixtrans-77.1-31.6176.4177.30000112.6D113 V115D113-V117 WeakPolarHBondContact O-CG2 3.44Å; D113-V117 PolarHBondContact O-N 3.07Å; V115-V117 VanDerWaalsContact C-N 3.26Å; V115-V117 PolarHBondContact O-N 2.98Å
118K86.4Confident85.7Confident149 Ų149111.1 Ų111.165%0.64858%0.58SS**Hα-helixtrans-98-12.7-173.2-67169.1-175.2176.90115E114 V115E114-K118 HydrophobicContact CB-CD 4.46Å; E114-K118 WeakPolarHBondContact O-CB 3.42Å; E114-K118 VanDerWaalsContact O-CD 3.31Å; E114-K118 WeakPolarHBondContact O-CD 2.95Å; E114-K118 WeakPolarHBondContact O-CG 3.49Å; E114-K118 PolarHBondContact O-N 3.22Å; E114-K118 IonicContact OE2-NZ 3.1Å; E114-K118 PolarHBondContact OE2-NZ 3.25Å; V115-K118 PolarHBondContact O-N 2.78Å
119K88.3Confident87Confident137 Ų137110.3 Ų110.360%0.59656%0.561SS**  trans-144.2124.4-177.6-68-169176.6-174.70113.2V115 L121V115-K119 PolarHBondContact O-N 2.93Å; K119-L121 HydrophobicContact CB-CD2 3.93Å; K119-L121 HydrophobicContact CB-CG 3.96Å; K119-L121 HydrophobicContact CD-CD2 4.12Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-L121 VanDerWaalsContact O-N 3.09Å
120E89Confident87.9Confident173 Ų173104.6 Ų104.681%0.80854%0.542SS*.  trans-77.689167.9-171.4-177.7175.600110.4
121L88.2Confident88.5Confident52 Ų52102.6 Ų102.627%0.27253%0.53SS..  trans-86.1-6.3-175.8-63.9178.9000114.5L111 V115 K119 G123 N124 V125L111-L121 HydrophobicContact CD1-CD1 4.34Å; V115-L121 HydrophobicContact CG1-CD1 3.95Å; K119-L121 HydrophobicContact CB-CD2 3.93Å; K119-L121 HydrophobicContact CB-CG 3.96Å; K119-L121 HydrophobicContact CD-CD2 4.12Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-L121 VanDerWaalsContact O-N 3.09Å; L121-G123 VanDerWaalsContact C-N 3.3Å; L121-G123 PolarHBondContact O-N 3.47Å; L121-N124 WeakPolarHBondContact O-CA 3.38Å; L121-N124 WeakPolarHBondContact O-CB 3.44Å; L121-N124 PolarHBondContact O-N 2.84Å; L121-V125 HydrophobicContact CB-CG2 4.4Å; L121-V125 WeakPolarHBondContact O-CG2 3.44Å; L121-V125 PolarHBondContact O-N 2.77Å
122T90.4Very high89.1Confident107 Ų107101.9 Ų101.966%0.65653%0.529SS*.Hα-helixtrans-52.7-43.7-173.7-46.80000113.2K126T122-K126 WeakPolarHBondContact O-CB 3.43Å; T122-K126 PolarHBondContact O-N 2.87Å; T122-K126 VanDerWaalsContact O-N 3.1Å
123G92.4Very high89.6Confident44 Ų4498.2 Ų98.245%0.45452%0.523SS..Hα-helixtrans-66.5-38.3176.300000113.1L121 S127L121-G123 VanDerWaalsContact C-N 3.3Å; L121-G123 PolarHBondContact O-N 3.47Å; G123-S127 WeakPolarHBondContact O-CB 3.14Å; G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.35Å
124N91.4Very high90.2Very high99 Ų9996.2 Ų96.253%0.52951%0.51SS..Hα-helixtrans-68.9-46.9176.5-62.1102.9000111.5L121 K126 S127 C128L121-N124 WeakPolarHBondContact O-CA 3.38Å; L121-N124 WeakPolarHBondContact O-CB 3.44Å; L121-N124 PolarHBondContact O-N 2.84Å; N124-K126 VanDerWaalsContact C-N 3.34Å; N124-K126 PolarHBondContact O-N 3.01Å; N124-S127 CarbonylContact O-C 3.59Å; N124-S127 WeakPolarHBondContact O-CA 3.01Å; N124-S127 WeakPolarHBondContact O-CB 3.25Å; N124-S127 PolarHBondContact O-N 2.9Å; N124-C128 PolarHBondContact O-N 3.49Å; N124-C128 PolarHBondContact O-SG 3.07Å
125V93.5Very high90.7Very high76 Ų7692.3 Ų92.346%0.46149%0.493SS..Hα-helixtrans-57.2-46.8177.5172.70000110.8L121 S127 C128 W129L121-V125 HydrophobicContact CB-CG2 4.4Å; L121-V125 WeakPolarHBondContact O-CG2 3.44Å; L121-V125 PolarHBondContact O-N 2.77Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.3Å; V125-C128 PolarHBondContact O-N 3.23Å; V125-W129 VanDerWaalsContact O-CD1 3.3Å; V125-W129 PolarHBondContact O-N 3.04Å; V125-W129 VanDerWaalsContact O-N 3.1Å
126K96.8Very high91.2Very high153 Ų15392.9 Ų92.967%0.66550%0.502SS*.Hα-helixtrans-60.4-39.8174.3-175.8176178.5177.90112.3T122 N124 T130T122-K126 WeakPolarHBondContact O-CB 3.43Å; T122-K126 PolarHBondContact O-N 2.87Å; T122-K126 VanDerWaalsContact O-N 3.1Å; N124-K126 VanDerWaalsContact C-N 3.34Å; N124-K126 PolarHBondContact O-N 3.01Å; K126-T130 WeakPolarHBondContact O-CB 3.35Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 2.6Å
127S93.2Very high91.9Very high73 Ų7393.6 Ų93.651%0.5150%0.5SS..Hα-helixtrans-67-41.4178.6-57.40000111.9G123 N124 V125 T130 Y131G123-S127 WeakPolarHBondContact O-CB 3.14Å; G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.35Å; N124-S127 CarbonylContact O-C 3.59Å; N124-S127 WeakPolarHBondContact O-CA 3.01Å; N124-S127 WeakPolarHBondContact O-CB 3.25Å; N124-S127 PolarHBondContact O-N 2.9Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.3Å; S127-T130 WeakPolarHBondContact O-CB 3.26Å; S127-T130 PolarHBondContact O-N 3.41Å; S127-Y131 WeakPolarHBondContact O-CB 3.01Å; S127-Y131 PolarHBondContact O-N 2.89Å
128C93.6Very high92.7Very high79 Ų7987.6 Ų87.653%0.53446%0.464SS..Hα-helixtrans-61.5-48175.6-65.60000111.8N124 V125 T130 Y131 V132N124-C128 PolarHBondContact O-N 3.49Å; N124-C128 PolarHBondContact O-SG 3.07Å; V125-C128 PolarHBondContact O-N 3.23Å; C128-T130 VanDerWaalsContact C-N 3.32Å; C128-T130 PolarHBondContact O-N 3.4Å; C128-Y131 WeakPolarHBondContact O-CB 3.43Å; C128-Y131 PolarHBondContact O-N 3.32Å; C128-V132 WeakPolarHBondContact O-CG2 3.09Å; C128-V132 PolarHBondContact O-N 3.08Å
129W96.7Very high93Very high104 Ų10482.6 Ų82.639%0.39445%0.448SS..Hα-helixtrans-64.8-34.6175.7-75.5116.4000112.9V98 V125 V132 S133V98-W129 HydrophobicContact CG1-CZ3 4.29Å; V125-W129 VanDerWaalsContact O-CD1 3.3Å; V125-W129 PolarHBondContact O-N 3.04Å; V125-W129 VanDerWaalsContact O-N 3.1Å; W129-V132 PolarHBondContact O-N 2.97Å; W129-S133 WeakPolarHBondContact O-CB 3.34Å; W129-S133 PolarHBondContact O-N 3.43Å
130T95.4Very high93.3Very high67 Ų6782.3 Ų82.341%0.41145%0.449SS..Hα-helixtrans-63.4-42172.5-55.80000111.1K126 S127 C128 S133 Q134K126-T130 WeakPolarHBondContact O-CB 3.35Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 2.6Å; S127-T130 WeakPolarHBondContact O-CB 3.26Å; S127-T130 PolarHBondContact O-N 3.41Å; C128-T130 VanDerWaalsContact C-N 3.32Å; C128-T130 PolarHBondContact O-N 3.4Å; T130-S133 PolarHBondContact O-N 3.43Å; T130-Q134 WeakPolarHBondContact O-CG 3.45Å; T130-Q134 PolarHBondContact O-N 3.48Å
131Y93.7Very high93.5Very high78 Ų7876 Ų7631%0.30642%0.422SS..Hα-helixtrans-65.5-44.9176175.9-112000112.2S127 C128 S133 Q134 L135 L248S127-Y131 WeakPolarHBondContact O-CB 3.01Å; S127-Y131 PolarHBondContact O-N 2.89Å; C128-Y131 WeakPolarHBondContact O-CB 3.43Å; C128-Y131 PolarHBondContact O-N 3.32Å; Y131-S133 VanDerWaalsContact C-N 3.29Å; Y131-S133 PolarHBondContact O-N 2.88Å; Y131-Q134 WeakPolarHBondContact O-CA 3.16Å; Y131-Q134 WeakPolarHBondContact O-CB 2.97Å; Y131-Q134 PolarHBondContact O-N 3.15Å; Y131-L135 HydrophobicContact CD1-CD1 4.33Å; Y131-L135 HydrophobicContact CE1-CD1 3.75Å; Y131-L135 HydrophobicContact CE1-CD2 4.46Å; Y131-L135 HydrophobicContact CE1-CG 4.17Å; Y131-L135 HydrophobicContact CE2-CD2 3.91Å; Y131-L135 HydrophobicContact CE2-CG 4.26Å; Y131-L135 WeakPolarHBondContact O-CG 3.38Å; Y131-L135 PolarHBondContact O-N 3.28Å; Y131-L248 HydrophobicContact CE2-CD2 3.91Å
132V93.5Very high93.8Very high64 Ų6475 Ų7539%0.38842%0.416SS..Hα-helixtrans-58.5-41.3174172.60000111.4C128 W129 Q134 L135 A136C128-V132 WeakPolarHBondContact O-CG2 3.09Å; C128-V132 PolarHBondContact O-N 3.08Å; W129-V132 PolarHBondContact O-N 2.97Å; V132-Q134 PolarHBondContact O-N 2.92Å; V132-L135 PolarHBondContact O-N 2.92Å; V132-A136 PolarHBondContact O-N 2.94Å; V132-A136 VanDerWaalsContact O-N 3.08Å
133S94.2Very high94Very high85 Ų8573.7 Ų73.759%0.59440%0.404SS*.Hα-helixtrans-63.4-37.8173.8-178.40000112.8W129 T130 Y131 A136 R137W129-S133 WeakPolarHBondContact O-CB 3.34Å; W129-S133 PolarHBondContact O-N 3.43Å; T130-S133 PolarHBondContact O-N 3.43Å; Y131-S133 VanDerWaalsContact C-N 3.29Å; Y131-S133 PolarHBondContact O-N 2.88Å; S133-A136 PolarHBondContact O-N 2.71Å; S133-R137 PolarHBondContact O-N 2.85Å
134Q93.6Very high94.1Very high78 Ų7879.3 Ų79.336%0.36441%0.411SS..Hα-helixtrans-63.7-44171.7-71.1172.70.700111.8T130 Y131 V132 A136 R137 L138T130-Q134 WeakPolarHBondContact O-CG 3.45Å; T130-Q134 PolarHBondContact O-N 3.48Å; Y131-Q134 WeakPolarHBondContact O-CA 3.16Å; Y131-Q134 WeakPolarHBondContact O-CB 2.97Å; Y131-Q134 PolarHBondContact O-N 3.15Å; V132-Q134 PolarHBondContact O-N 2.92Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.5Å; Q134-R137 WeakPolarHBondContact O-CA 3.3Å; Q134-R137 WeakPolarHBondContact O-CB 3.36Å; Q134-R137 PolarHBondContact O-N 2.9Å; Q134-L138 WeakPolarHBondContact O-CG 3.49Å; Q134-L138 PolarHBondContact O-N 2.93Å
135L93.3Very high94.2Very high37 Ų3775 Ų7519%0.19439%0.388CS..Hα-helixtrans-59.5-40.2177.9-64.7-170.8000112.1Y131 V132 R137 L138 S139 V287Y131-L135 HydrophobicContact CD1-CD1 4.33Å; Y131-L135 HydrophobicContact CE1-CD1 3.75Å; Y131-L135 HydrophobicContact CE1-CD2 4.46Å; Y131-L135 HydrophobicContact CE1-CG 4.17Å; Y131-L135 HydrophobicContact CE2-CD2 3.91Å; Y131-L135 HydrophobicContact CE2-CG 4.26Å; Y131-L135 WeakPolarHBondContact O-CG 3.38Å; Y131-L135 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 2.92Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.09Å; L135-L138 HydrophobicContact CD2-CD1 4.32Å; L135-L138 PolarHBondContact O-N 2.75Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 3.06Å; L135-V287 HydrophobicContact CD1-CG1 4.42Å; L135-V287 HydrophobicContact CD2-CG1 3.86Å
136A93.1Very high94.2Very high58 Ų5873.2 Ų73.248%0.47938%0.382SS..Hα-helixtrans-59.8-38.3174.200000112.5V132 S133 Q134 S139 Q140V132-A136 PolarHBondContact O-N 2.94Å; V132-A136 VanDerWaalsContact O-N 3.08Å; S133-A136 PolarHBondContact O-N 2.71Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.5Å; A136-S139 PolarHBondContact O-N 3.32Å; A136-Q140 PolarHBondContact O-N 2.69Å
137R94.4Very high94.2Very high124 Ų12467.8 Ų67.847%0.46837%0.365SS..Hα-helixtrans-65.4-37.1171.8-170.7-172.271.3102.1-3.9112.1S133 Q134 L135 Q140S133-R137 PolarHBondContact O-N 2.85Å; Q134-R137 WeakPolarHBondContact O-CA 3.3Å; Q134-R137 WeakPolarHBondContact O-CB 3.36Å; Q134-R137 PolarHBondContact O-N 2.9Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.09Å; R137-Q140 WeakPolarHBondContact O-CB 3.43Å; R137-Q140 PolarHBondContact O-N 2.89Å
138L95.5Very high94.3Very high2 Ų267.4 Ų67.41%0.0136%0.356CS..Hα-helixtrans-68.3-37.5176.9-55.4-164.9000111.6Q134 L135 Q140 V141 H142 L245 T246 V287 C288Q134-L138 WeakPolarHBondContact O-CG 3.49Å; Q134-L138 PolarHBondContact O-N 2.93Å; L135-L138 HydrophobicContact CD2-CD1 4.32Å; L135-L138 PolarHBondContact O-N 2.75Å; L138-Q140 VanDerWaalsContact C-N 3.26Å; L138-Q140 PolarHBondContact O-N 2.84Å; L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 PolarHBondContact O-N 3.36Å; L138-H142 PolarHBondContact O-CD2 3.27Å; L138-H142 VanDerWaalsContact O-CD2 3.23Å; L138-H142 PolarHBondContact O-N 2.94Å; L138-L245 HydrophobicContact CD1-CB 4.01Å; L138-L245 HydrophobicContact CD2-CB 4.01Å; L138-L245 WeakPolarHBondContact CD2-O 3.25Å; L138-T246 HydrophobicContact CD1-CG2 3.86Å; L138-V287 HydrophobicContact CB-CG2 4.1Å; L138-C288 HydrophobicContact CD1-CB 4.37Å
139S92.7Very high94.4Very high45 Ų4566.5 Ų66.532%0.31534%0.341SS..Hα-helixtrans-58-35.6174.2-63.70000112.9L135 A136 V141 H142 I143L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 3.06Å; A136-S139 PolarHBondContact O-N 3.32Å; S139-V141 PolarHBondContact O-N 2.83Å; S139-H142 PolarHBondContact O-N 3.09Å; S139-H142 VanDerWaalsContact O-N 3.15Å; S139-I143 WeakPolarHBondContact O-CD1 3.01Å; S139-I143 VanDerWaalsContact O-CG1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.16Å; S139-I143 PolarHBondContact O-N 3Å
140Q94.4Very high94.3Very high130 Ų13064.9 Ų64.961%0.60734%0.338SS*.Hα-helixtrans-59.1-34.3174.8-65.4172.5-13.800112.5A136 R137 L138 R144A136-Q140 PolarHBondContact O-N 2.69Å; R137-Q140 WeakPolarHBondContact O-CB 3.43Å; R137-Q140 PolarHBondContact O-N 2.89Å; L138-Q140 VanDerWaalsContact C-N 3.26Å; L138-Q140 PolarHBondContact O-N 2.84Å; Q140-R144 WeakPolarHBondContact O-CB 3.34Å; Q140-R144 PolarHBondContact O-N 3.09Å
141V93.2Very high94.4Very high40 Ų4067.7 Ų67.724%0.24235%0.346CS..Hα-helixtrans-68.7-43.6176.3-171.10000110.7L138 S139 R144 N145 W290L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 PolarHBondContact O-N 3.36Å; S139-V141 PolarHBondContact O-N 2.83Å; V141-R144 PolarHBondContact O-N 2.79Å; V141-N145 PolarHBondContact O-N 3.21Å; V141-N145 PolarHBondContact O-OD1 2.87Å; V141-N145 VanDerWaalsContact O-OD1 3.11Å; V141-W290 HydrophobicContact CG1-CE3 3.48Å; V141-W290 VanDerWaalsContact CG1-CE3 3.48Å; V141-W290 HydrophobicContact CG1-CZ3 3.39Å
142H93.9Very high94.6Very high31 Ų3164.4 Ų64.414%0.14433%0.334CS..Hα-helixtrans-66.7-38.5176.7-62.1-59.6000112.6L138 S139 N145 A146 V287 L289L138-H142 PolarHBondContact O-CD2 3.27Å; L138-H142 VanDerWaalsContact O-CD2 3.23Å; L138-H142 PolarHBondContact O-N 2.94Å; S139-H142 PolarHBondContact O-N 3.09Å; S139-H142 VanDerWaalsContact O-N 3.15Å; H142-N145 PolarHBondContact O-N 3.11Å; H142-A146 WeakPolarHBondContact O-CB 3.49Å; H142-A146 PolarHBondContact O-N 2.86Å; H142-V287 PolarHBondContact NE2-O 3.11Å; H142-L289 PolarHBondContact CE1-O 3.14Å; H142-L289 VanDerWaalsContact CE1-O 3.26Å
143I94.8Very high94.7Very high81 Ų8162.3 Ų62.342%0.41532%0.32SS..Hα-helixtrans-60.8-46.1173.9-68.3157.2000110.3F91 S139 A146 A147F91-I143 HydrophobicContact CE1-CD1 3.95Å; F91-I143 HydrophobicContact CZ-CD1 3.66Å; F91-I143 HydrophobicContact CZ-CG1 4.46Å; S139-I143 WeakPolarHBondContact O-CD1 3.01Å; S139-I143 VanDerWaalsContact O-CG1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.16Å; S139-I143 PolarHBondContact O-N 3Å; I143-A146 PolarHBondContact O-N 2.81Å; I143-A147 WeakPolarHBondContact O-CB 3.39Å; I143-A147 PolarHBondContact O-N 3.18Å
144R95.6Very high94.8Very high161 Ų16162.1 Ų62.161%0.60831%0.309SS*.Hα-helixtrans-59.1-51.9176178.6-179.5170.1172.4-0.3111.6Q140 V141 A146 A147 E148Q140-R144 WeakPolarHBondContact O-CB 3.34Å; Q140-R144 PolarHBondContact O-N 3.09Å; V141-R144 PolarHBondContact O-N 2.79Å; R144-A146 VanDerWaalsContact C-N 3.28Å; R144-A146 PolarHBondContact O-N 2.87Å; R144-A147 WeakPolarHBondContact O-CB 3.49Å; R144-A147 PolarHBondContact O-N 2.82Å; R144-A147 VanDerWaalsContact O-N 3.11Å; R144-E148 HydrophobicContact CG-CG 4.41Å; R144-E148 IonicContact CZ-OE1 2.9Å; R144-E148 IonicContact NE-OE1 3.07Å; R144-E148 PolarHBondContact NE-OE1 3.12Å; R144-E148 IonicContact NE-OE2 3.89Å; R144-E148 IonicContact NH2-OE1 3.46Å; R144-E148 PolarHBondContact NH2-OE1 3.28Å; R144-E148 PolarHBondContact O-N 3.43Å
145N93.6Very high95Very high9 Ų959.4 Ų59.45%0.04830%0.3CS..Hα-helixtrans-62.9-36.2-177.9-66.314.7000111.7V141 H142 Y149 V219 W290V141-N145 PolarHBondContact O-N 3.21Å; V141-N145 PolarHBondContact O-OD1 2.87Å; V141-N145 VanDerWaalsContact O-OD1 3.11Å; H142-N145 PolarHBondContact O-N 3.11Å; N145-Y149 VanDerWaalsContact O-CB 3.27Å; N145-Y149 WeakPolarHBondContact O-CB 3.49Å; N145-Y149 PolarHBondContact O-N 2.73Å; N145-V219 HydrophobicContact CB-CG2 4.35Å; N145-W290 VanDerWaalsContact ND2-CE3 3.28Å; N145-W290 VanDerWaalsContact ND2-CH2 3.26Å; N145-W290 WeakPolarHBondContact ND2-CH2 3.45Å; N145-W290 WeakPolarHBondContact ND2-CZ3 3.46Å
146A93.9Very high95.2Very high38 Ų3857.6 Ų57.631%0.31429%0.291SS..Hα-helixtrans-66.3-39.6173.500000112.8H142 I143 R144 H150 V219H142-A146 WeakPolarHBondContact O-CB 3.49Å; H142-A146 PolarHBondContact O-N 2.86Å; I143-A146 PolarHBondContact O-N 2.81Å; R144-A146 VanDerWaalsContact C-N 3.28Å; R144-A146 PolarHBondContact O-N 2.87Å; A146-H150 WeakPolarHBondContact O-CB 3.47Å; A146-H150 PolarHBondContact O-N 2.97Å; A146-V219 HydrophobicContact CB-CG1 4.23Å
147A96.1Very high95.4Very high39 Ų3958.7 Ų58.732%0.32229%0.288SS..Hα-helixtrans-65.6-47.117500000111.8I143 R144 H150 Q151I143-A147 WeakPolarHBondContact O-CB 3.39Å; I143-A147 PolarHBondContact O-N 3.18Å; R144-A147 WeakPolarHBondContact O-CB 3.49Å; R144-A147 PolarHBondContact O-N 2.82Å; R144-A147 VanDerWaalsContact O-N 3.11Å; A147-H150 PolarHBondContact O-N 3.42Å; A147-Q151 VanDerWaalsContact O-CB 3.28Å; A147-Q151 WeakPolarHBondContact O-CB 3.31Å; A147-Q151 WeakPolarHBondContact O-CG 3.43Å; A147-Q151 PolarHBondContact O-N 3.35Å
148E95.3Very high95.4Very high66 Ų6656.8 Ų56.831%0.30829%0.285SS..Hα-helixtrans-60.6-46.6177.6-71.9176.1168.500111.5R144 H150 Q151 F152 I216R144-E148 HydrophobicContact CG-CG 4.41Å; R144-E148 IonicContact CZ-OE1 2.9Å; R144-E148 IonicContact NE-OE1 3.07Å; R144-E148 PolarHBondContact NE-OE1 3.12Å; R144-E148 IonicContact NE-OE2 3.89Å; R144-E148 IonicContact NH2-OE1 3.46Å; R144-E148 PolarHBondContact NH2-OE1 3.28Å; R144-E148 PolarHBondContact O-N 3.43Å; E148-H150 PolarHBondContact O-N 3.31Å; E148-Q151 PolarHBondContact O-N 3Å; E148-F152 VanDerWaalsContact O-CB 3.28Å; E148-F152 WeakPolarHBondContact O-CB 3.26Å; E148-F152 PolarHBondContact O-N 3.14Å; E148-I216 HydrophobicContact CB-CD1 4.39Å
149Y95.6Very high95.4Very high59 Ų5956.8 Ų56.823%0.23129%0.285CS..Hα-helixtrans-55.9-49173.4172.5-90.7000112.5N145 H153 I216 V219 D295N145-Y149 VanDerWaalsContact O-CB 3.27Å; N145-Y149 WeakPolarHBondContact O-CB 3.49Å; N145-Y149 PolarHBondContact O-N 2.73Å; Y149-H153 AromaticContact CD2-NE2 3.99Å; Y149-H153 AromaticContact CE1-CD2 3.91Å; Y149-H153 AromaticContact CE2-CD2 3.7Å; Y149-H153 AromaticContact CE2-NE2 3.42Å; Y149-H153 WeakPolarHBondContact CE2-NE2 3.44Å; Y149-H153 AromaticContact CZ-CD2 3.64Å; Y149-H153 AromaticContact CZ-NE2 3.66Å; Y149-H153 PolarHBondContact O-CD2 2.94Å; Y149-H153 VanDerWaalsContact O-CD2 3.27Å; Y149-H153 PolarHBondContact O-N 3.2Å; Y149-I216 HydrophobicContact CD2-CG2 3.68Å; Y149-I216 HydrophobicContact CG-CG2 4.36Å; Y149-V219 HydrophobicContact CD1-CB 4.36Å; Y149-V219 HydrophobicContact CD2-CB 4.33Å; Y149-V219 HydrophobicContact CD2-CG2 4.49Å; Y149-V219 HydrophobicContact CG-CB 4.1Å; Y149-V219 HydrophobicContact CG-CG2 4.16Å; Y149-D295 WeakPolarHBondContact CE2-OD2 3.5Å
150H95.6Very high95.5Very high70 Ų7055.5 Ų55.532%0.32427%0.274SS..Hα-helixtrans-68.1-45.6-179176.9-114.8000112.5Y80 A146 A147 E148 F152 H153 H154Y80-H150 AromaticContact CE2-NE2 3.96Å; Y80-H150 AromaticContact CZ-CE1 3.8Å; Y80-H150 AromaticContact CZ-NE2 3.69Å; Y80-H150 PolarHBondContact OH-CE1 2.99Å; Y80-H150 PolarHBondContact OH-NE2 2.83Å; A146-H150 WeakPolarHBondContact O-CB 3.47Å; A146-H150 PolarHBondContact O-N 2.97Å; A147-H150 PolarHBondContact O-N 3.42Å; E148-H150 PolarHBondContact O-N 3.31Å; H150-F152 VanDerWaalsContact C-N 3.33Å; H150-F152 PolarHBondContact O-N 3.48Å; H150-H153 PolarHBondContact O-N 3.5Å; H150-H154 WeakPolarHBondContact O-CB 3.49Å; H150-H154 PolarHBondContact O-N 2.88Å
151Q97.1Very high95.5Very high126 Ų12652 Ų5259%0.58927%0.268SS*.Hα-helixtrans-62.1-40.3178.7-73.6172.9-0.800111.6A147 E148 H154 A155A147-Q151 VanDerWaalsContact O-CB 3.28Å; A147-Q151 WeakPolarHBondContact O-CB 3.31Å; A147-Q151 WeakPolarHBondContact O-CG 3.43Å; A147-Q151 PolarHBondContact O-N 3.35Å; E148-Q151 PolarHBondContact O-N 3Å; Q151-H154 PolarHBondContact O-N 3.27Å; Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.46Å; Q151-A155 PolarHBondContact O-N 2.63Å
152F97.5Very high95.6Very high10 Ų1051.8 Ų51.84%0.04427%0.268CS..Hα-helixtrans-57.9-53.3172.9166.8-98.1000111.9E148 H150 H154 A155 V156 L209 I216 A298 S302E148-F152 VanDerWaalsContact O-CB 3.28Å; E148-F152 WeakPolarHBondContact O-CB 3.26Å; E148-F152 PolarHBondContact O-N 3.14Å; H150-F152 VanDerWaalsContact C-N 3.33Å; H150-F152 PolarHBondContact O-N 3.48Å; F152-H154 VanDerWaalsContact C-N 3.33Å; F152-H154 PolarHBondContact O-N 3.3Å; F152-A155 PolarHBondContact O-N 3.4Å; F152-A155 VanDerWaalsContact O-N 3.16Å; F152-V156 HydrophobicContact CD2-CG2 4.36Å; F152-V156 HydrophobicContact CE1-CG2 4.12Å; F152-V156 HydrophobicContact CE2-CG2 3.76Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 WeakPolarHBondContact O-CG2 3.34Å; F152-V156 PolarHBondContact O-N 3.44Å; F152-L209 HydrophobicContact CD2-CD2 4.03Å; F152-L209 HydrophobicContact CE2-CB 4.32Å; F152-L209 HydrophobicContact CE2-CD2 4.15Å; F152-L209 WeakPolarHBondContact CE2-O 3.06Å; F152-I216 HydrophobicContact CB-CD1 3.66Å; F152-I216 HydrophobicContact CB-CG1 3.97Å; F152-I216 HydrophobicContact CD1-CG1 4.08Å; F152-I216 HydrophobicContact CD2-CG1 4.2Å; F152-I216 HydrophobicContact CG-CD1 4.05Å; F152-I216 HydrophobicContact CG-CG1 3.78Å; F152-A298 HydrophobicContact CD1-CB 4.04Å; F152-A298 HydrophobicContact CE1-CB 3.48Å; F152-A298 VanDerWaalsContact CE1-CB 3.48Å; F152-A298 HydrophobicContact CZ-CB 4.11Å; F152-A298 WeakPolarHBondContact CZ-O 3.08Å; F152-S302 WeakPolarHBondContact CE2-OG 3.23Å; F152-S302 VanDerWaalsContact CZ-OG 3.3Å; F152-S302 WeakPolarHBondContact CZ-OG 3.08Å
153H96.4Very high95.6Very high20 Ų2050.6 Ų50.69%0.09326%0.263CS..Hα-helixtrans-65.9-34.6-179.7-76.6-60.7000112.7Y149 H150 N157Y149-H153 AromaticContact CD2-NE2 3.99Å; Y149-H153 AromaticContact CE1-CD2 3.91Å; Y149-H153 AromaticContact CE2-CD2 3.7Å; Y149-H153 AromaticContact CE2-NE2 3.42Å; Y149-H153 WeakPolarHBondContact CE2-NE2 3.44Å; Y149-H153 AromaticContact CZ-CD2 3.64Å; Y149-H153 AromaticContact CZ-NE2 3.66Å; Y149-H153 PolarHBondContact O-CD2 2.94Å; Y149-H153 VanDerWaalsContact O-CD2 3.27Å; Y149-H153 PolarHBondContact O-N 3.2Å; H150-H153 PolarHBondContact O-N 3.5Å; H153-N157 WeakPolarHBondContact O-CB 3.42Å; H153-N157 PolarHBondContact O-N 3.49Å; H153-N157 PolarHBondContact O-ND2 3.46Å
154H96.5Very high95.5Very high80 Ų8052.2 Ų52.237%0.3727%0.267SS..Hα-helixtrans-60.1-49.3170-176.393.8000111.1Y80 H150 Q151 F152 V156 N157 E158Y80-H154 AromaticContact CE1-CE1 3.54Å; Y80-H154 AromaticContact CE1-ND1 3.41Å; Y80-H154 WeakPolarHBondContact CE1-ND1 3.32Å; Y80-H154 AromaticContact CZ-ND1 3.48Å; Y80-H154 PolarHBondContact OH-ND1 2.72Å; H150-H154 WeakPolarHBondContact O-CB 3.49Å; H150-H154 PolarHBondContact O-N 2.88Å; Q151-H154 PolarHBondContact O-N 3.27Å; F152-H154 VanDerWaalsContact C-N 3.33Å; F152-H154 PolarHBondContact O-N 3.3Å; H154-V156 VanDerWaalsContact C-N 3.3Å; H154-V156 PolarHBondContact O-N 3.37Å; H154-N157 PolarHBondContact O-N 3.14Å; H154-N157 VanDerWaalsContact O-N 3.1Å; H154-E158 PolarHBondContact O-N 2.89Å
155A97.3Very high95.4Very high21 Ų2147 Ų4717%0.17426%0.258CS..Hα-helixtrans-65.8-29.6-178.500000113.5Q151 F152 A159 R205 L209Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.46Å; Q151-A155 PolarHBondContact O-N 2.63Å; F152-A155 PolarHBondContact O-N 3.4Å; F152-A155 VanDerWaalsContact O-N 3.16Å; A155-A159 WeakPolarHBondContact O-CB 3.18Å; A155-A159 PolarHBondContact O-N 3.47Å; A155-A159 VanDerWaalsContact O-N 3.16Å; A155-R205 VanDerWaalsContact CA-NH2 3.31Å; A155-R205 PolarHBondContact O-NH2 2.84Å; A155-L209 HydrophobicContact CB-CD2 3.86Å
156V97Very high95.4Very high0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-68.9-46168.8168.80000111.2F152 H154 A159 E160 L209 L305F152-V156 HydrophobicContact CD2-CG2 4.36Å; F152-V156 HydrophobicContact CE1-CG2 4.12Å; F152-V156 HydrophobicContact CE2-CG2 3.76Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 WeakPolarHBondContact O-CG2 3.34Å; F152-V156 PolarHBondContact O-N 3.44Å; H154-V156 VanDerWaalsContact C-N 3.3Å; H154-V156 PolarHBondContact O-N 3.37Å; V156-A159 PolarHBondContact O-N 2.9Å; V156-E160 PolarHBondContact O-N 2.81Å; V156-L209 HydrophobicContact CG2-CD1 4.1Å; V156-L209 HydrophobicContact CG2-CD2 4.26Å; V156-L305 HydrophobicContact CG1-CD2 4.34Å; V156-L305 HydrophobicContact CG2-CD2 4.34Å
157N96.3Very high95.3Very high80 Ų8047.1 Ų47.143%0.42825%0.252SS..Hα-helixtrans-63.3-41.9178.5-68.4-26.4000111.9H153 H154 E160 A161 R301H153-N157 WeakPolarHBondContact O-CB 3.42Å; H153-N157 PolarHBondContact O-N 3.49Å; H153-N157 PolarHBondContact O-ND2 3.46Å; H154-N157 PolarHBondContact O-N 3.14Å; H154-N157 VanDerWaalsContact O-N 3.1Å; N157-E160 PolarHBondContact O-N 3.4Å; N157-A161 WeakPolarHBondContact O-CB 3.39Å; N157-A161 PolarHBondContact O-N 2.7Å; N157-R301 PolarHBondContact OD1-NH2 2.84Å
158E95.7Very high95Very high84 Ų8453 Ų5339%0.39327%0.265SS..Hα-helixtrans-59.7-48.3174.2-170-159.2160.700110.6H154 E160 A161 S162 R205H154-E158 PolarHBondContact O-N 2.89Å; E158-E160 PolarHBondContact O-N 3.02Å; E158-A161 WeakPolarHBondContact O-CB 3.44Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-S162 PolarHBondContact O-N 2.85Å; E158-S162 PolarHBondContact O-OG 2.89Å; E158-S162 VanDerWaalsContact O-OG 3.1Å; E158-R205 VanDerWaalsContact CD-NH1 3.31Å; E158-R205 IonicContact OE1-NH1 3.88Å; E158-R205 PolarHBondContact OE1-NH1 3.28Å; E158-R205 IonicContact OE2-CZ 3.22Å; E158-R205 VanDerWaalsContact OE2-CZ 3.25Å; E158-R205 IonicContact OE2-NH1 3.49Å; E158-R205 PolarHBondContact OE2-NH1 2.79Å; E158-R205 IonicContact OE2-NH2 2.67Å; E158-R205 PolarHBondContact OE2-NH2 3.13Å
159A95.8Very high94.7Very high3 Ų354.7 Ų54.73%0.02528%0.275CS..Hα-helixtrans-61.1-42.7177.800000112.3A155 V156 A161 L163 L209 L305A155-A159 WeakPolarHBondContact O-CB 3.18Å; A155-A159 PolarHBondContact O-N 3.47Å; A155-A159 VanDerWaalsContact O-N 3.16Å; V156-A159 PolarHBondContact O-N 2.9Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 3.04Å; A159-L163 VanDerWaalsContact O-CB 3.22Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.1Å; A159-L209 HydrophobicContact CB-CD1 4.29Å; A159-L305 HydrophobicContact CB-CD1 3.98Å; A159-L305 HydrophobicContact CB-CD2 3.95Å
160E94.6Very high94.3Very high17 Ų1752.3 Ų52.38%0.07927%0.266CS..Hα-helixtrans-61.7-37.1172.3-80.3-155.5-143.300112.6V156 N157 E158 K164 L305 K308V156-E160 PolarHBondContact O-N 2.81Å; N157-E160 PolarHBondContact O-N 3.4Å; E158-E160 PolarHBondContact O-N 3.02Å; E160-K164 WeakPolarHBondContact O-CB 3.18Å; E160-K164 VanDerWaalsContact O-CD 3.28Å; E160-K164 WeakPolarHBondContact O-CD 3.47Å; E160-K164 WeakPolarHBondContact O-CG 3.16Å; E160-K164 PolarHBondContact O-N 2.96Å; E160-K164 WeakPolarHBondContact OE2-CE 3.45Å; E160-K164 IonicContact OE2-NZ 3.08Å; E160-K164 PolarHBondContact OE2-NZ 3.4Å; E160-L305 HydrophobicContact CG-CD1 3.76Å; E160-K308 HydrophobicContact CG-CD 4.38Å; E160-K308 IonicContact OE1-NZ 2.66Å; E160-K308 PolarHBondContact OE1-NZ 2.69Å; E160-K308 IonicContact OE2-NZ 2.78Å; E160-K308 PolarHBondContact OE2-NZ 3.1Å
161A94.4Very high94Very high57 Ų5752 Ų5247%0.47127%0.265SS..Hα-helixtrans-69.4-46.8178.400000111.7N157 E158 A159 L163 K164 A165N157-A161 WeakPolarHBondContact O-CB 3.39Å; N157-A161 PolarHBondContact O-N 2.7Å; E158-A161 WeakPolarHBondContact O-CB 3.44Å; E158-A161 PolarHBondContact O-N 3.32Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 3.04Å; A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 3.38Å; A161-K164 PolarHBondContact O-N 3.3Å; A161-A165 WeakPolarHBondContact O-CB 3.19Å; A161-A165 PolarHBondContact O-N 3.33Å
162S94Very high93.1Very high36 Ų3651.5 Ų51.525%0.25227%0.272SS..Hα-helixtrans-58.1-42.9174.2-530000111.7E158 A165 R166E158-S162 PolarHBondContact O-N 2.85Å; E158-S162 PolarHBondContact O-OG 2.89Å; E158-S162 VanDerWaalsContact O-OG 3.1Å; S162-A165 PolarHBondContact O-N 3.28Å; S162-R166 WeakPolarHBondContact O-CB 3.33Å; S162-R166 PolarHBondContact O-N 2.9Å
163L94.4Very high92.3Very high5 Ų562.4 Ų62.43%0.02631%0.313CS..Hα-helixtrans-63-48.7178.3-166.675.1000111.6A159 A161 A165 R166 V167 M199 L202 K308 C309 S312A159-L163 VanDerWaalsContact O-CB 3.22Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.1Å; A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 3.38Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 2.87Å; L163-R166 PolarHBondContact O-N 2.95Å; L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 3.42Å; L163-M199 HydrophobicContact CD1-CE 3.7Å; L163-M199 HydrophobicContact CD1-SD 4.17Å; L163-L202 HydrophobicContact CB-CD1 4.3Å; L163-L202 HydrophobicContact CD1-CD1 3.85Å; L163-K308 HydrophobicContact CD2-CB 4.1Å; L163-C309 HydrophobicContact CD2-CB 4.49Å; L163-S312 WeakPolarHBondContact CD2-OG 3.06Å; L163-S312 WeakPolarHBondContact CG-OG 3.4Å
164K93.9Very high91.6Very high115 Ų11565.5 Ų65.550%0.533%0.33SS..Hα-helixtrans-62.2-39175.8-71.3162.4-164.81660112E160 A161 R168E160-K164 WeakPolarHBondContact O-CB 3.18Å; E160-K164 VanDerWaalsContact O-CD 3.28Å; E160-K164 WeakPolarHBondContact O-CD 3.47Å; E160-K164 WeakPolarHBondContact O-CG 3.16Å; E160-K164 PolarHBondContact O-N 2.96Å; E160-K164 WeakPolarHBondContact OE2-CE 3.45Å; E160-K164 IonicContact OE2-NZ 3.08Å; E160-K164 PolarHBondContact OE2-NZ 3.4Å; A161-K164 PolarHBondContact O-N 3.3Å; K164-R168 WeakPolarHBondContact O-CB 3.39Å; K164-R168 PolarHBondContact O-N 2.99Å
165A92.6Very high90.8Very high52 Ų5263.1 Ų63.143%0.4332%0.322SS..Hα-helixtrans-64.4-45.1174.100000111.5A161 S162 L163 V167 R168 M169A161-A165 WeakPolarHBondContact O-CB 3.19Å; A161-A165 PolarHBondContact O-N 3.33Å; S162-A165 PolarHBondContact O-N 3.28Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 2.87Å; A165-V167 VanDerWaalsContact C-N 3.35Å; A165-V167 PolarHBondContact O-N 2.82Å; A165-R168 WeakPolarHBondContact O-CB 3.46Å; A165-R168 PolarHBondContact O-N 2.88Å; A165-R168 VanDerWaalsContact O-N 3.12Å; A165-M169 WeakPolarHBondContact O-CG 3.11Å; A165-M169 PolarHBondContact O-N 3.14Å
166R93.1Very high89.8Confident35 Ų3569.9 Ų69.913%0.13234%0.343CS..Hα-helixtrans-63.8-39179.3-156.662.4163.4172.6-6.3112.3S162 L163 M169 E194 H195 M199 L316S162-R166 WeakPolarHBondContact O-CB 3.33Å; S162-R166 PolarHBondContact O-N 2.9Å; L163-R166 PolarHBondContact O-N 2.95Å; R166-M169 PolarHBondContact NH1-SD 3.09Å; R166-M169 VanDerWaalsContact NH1-SD 3.38Å; R166-E194 PolarHBondContact NH2-O 2.98Å; R166-H195 PolarHBondContact NE-ND1 2.84Å; R166-M199 HydrophobicContact CG-SD 4.15Å; R166-L316 HydrophobicContact CG-CD1 4.33Å
167V91.6Very high88.9Confident15 Ų1574.5 Ų74.59%0.09138%0.381CS..Hα-helixtrans-64.1-45.8170.7171.30000110.7L163 A165 M169 T170 L315 R319L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 3.42Å; A165-V167 VanDerWaalsContact C-N 3.35Å; A165-V167 PolarHBondContact O-N 2.82Å; V167-M169 VanDerWaalsContact C-N 3.3Å; V167-M169 PolarHBondContact O-N 3.46Å; V167-T170 PolarHBondContact O-N 2.97Å; V167-T170 PolarHBondContact O-OG1 2.87Å; V167-L315 HydrophobicContact CG1-CD2 3.83Å; V167-L315 HydrophobicContact CG1-CG 4.44Å; V167-R319 PolarHBondContact O-NH1 2.86Å
168R91Very high88.2Confident161 Ų16172 Ų7261%0.60837%0.367SS*.Hα-helixtrans-57.9-37.7179.1-173.6179.6-65-174.11.3113K164 A165 T170 E171 N174K164-R168 WeakPolarHBondContact O-CB 3.39Å; K164-R168 PolarHBondContact O-N 2.99Å; A165-R168 WeakPolarHBondContact O-CB 3.46Å; A165-R168 PolarHBondContact O-N 2.88Å; A165-R168 VanDerWaalsContact O-N 3.12Å; R168-T170 PolarHBondContact O-N 3.13Å; R168-T170 VanDerWaalsContact O-N 3.13Å; R168-E171 WeakPolarHBondContact O-CB 2.99Å; R168-E171 WeakPolarHBondContact O-CG 3.31Å; R168-E171 PolarHBondContact O-N 3.12Å; R168-E171 VanDerWaalsContact O-N 3.15Å; R168-N174 WeakPolarHBondContact CG-ND2 3.1Å; R168-N174 PolarHBondContact O-ND2 2.82Å
169M88.7Confident87.7Confident103 Ų10372.2 Ų72.251%0.50738%0.376SS..THydrogen-bonded Turntrans-58.4-24.2175.5-66.5177.27900113.8A165 R166 V167 T175A165-M169 WeakPolarHBondContact O-CG 3.11Å; A165-M169 PolarHBondContact O-N 3.14Å; R166-M169 PolarHBondContact NH1-SD 3.09Å; R166-M169 VanDerWaalsContact NH1-SD 3.38Å; V167-M169 VanDerWaalsContact C-N 3.3Å; V167-M169 PolarHBondContact O-N 3.46Å; M169-T175 WeakPolarHBondContact O-CG2 3.41Å
170T87.8Confident87.2Confident9 Ų972.9 Ų72.96%0.05538%0.381CS..THydrogen-bonded Turntrans-92.11.4-178.667.40000114.1V167 R168 L316 R319V167-T170 PolarHBondContact O-N 2.97Å; V167-T170 PolarHBondContact O-OG1 2.87Å; R168-T170 PolarHBondContact O-N 3.13Å; R168-T170 VanDerWaalsContact O-N 3.13Å; T170-L316 HydrophobicContact CG2-CD1 3.9Å; T170-L316 HydrophobicContact CG2-CG 3.98Å; T170-R319 WeakPolarHBondContact OG1-CD 3.22Å; T170-R319 PolarHBondContact OG1-NH1 3.46Å
171E87.9Confident86.8Confident63 Ų6374.8 Ų74.829%0.29439%0.394SS..SBendtrans-72.8136.9177.2-65.9174.6175.200110.4R168 R173 N174 T175 R319R168-E171 WeakPolarHBondContact O-CB 2.99Å; R168-E171 WeakPolarHBondContact O-CG 3.31Å; R168-E171 PolarHBondContact O-N 3.12Å; R168-E171 VanDerWaalsContact O-N 3.15Å; E171-R173 PolarHBondContact O-N 2.87Å; E171-N174 PolarHBondContact O-N 3.39Å; E171-N174 PolarHBondContact OE2-ND2 3.36Å; E171-N174 VanDerWaalsContact OE2-ND2 3.16Å; E171-T175 PolarHBondContact O-N 3.31Å; E171-T175 PolarHBondContact O-OG1 3.21Å; E171-R319 IonicContact OE1-NH1 3.17Å; E171-R319 IonicContact OE1-NH2 3.85Å
172P79.6Confident86.4Confident115 Ų11574.3 Ų74.375%0.74738%0.383SS*.THydrogen-bonded Turntrans-55.4-20.5-176.1-30.336.3000116.1T175P172-T175 WeakPolarHBondContact CA-OG1 3.37Å; P172-T175 PolarHBondContact O-OG1 3.08Å
173R79.4Confident86Confident239 Ų23981 Ų8190%0.90241%0.408SS*.THydrogen-bonded Turntrans-78.9-24.8175.4-62.9179.3-179.1169.1-0.2113.5E171E171-R173 PolarHBondContact O-N 2.87Å
174N82.6Confident85.9Confident85 Ų8582 Ų8246%0.45541%0.413SS..THydrogen-bonded Turntrans-107.5-23.6-173.9-51-27.7000111.3R168 E171R168-N174 WeakPolarHBondContact CG-ND2 3.1Å; R168-N174 PolarHBondContact O-ND2 2.82Å; E171-N174 PolarHBondContact O-N 3.39Å; E171-N174 PolarHBondContact OE2-ND2 3.36Å; E171-N174 VanDerWaalsContact OE2-ND2 3.16Å
175T78.7Confident85.8Confident31 Ų3176.5 Ų76.519%0.1939%0.389CS..SBendtrans-67.5132.3174.952.90000111.6M169 E171 P172 A177M169-T175 WeakPolarHBondContact O-CG2 3.41Å; E171-T175 PolarHBondContact O-N 3.31Å; E171-T175 PolarHBondContact O-OG1 3.21Å; P172-T175 WeakPolarHBondContact CA-OG1 3.37Å; P172-T175 PolarHBondContact O-OG1 3.08Å; T175-A177 PolarHBondContact O-N 2.82Å
176R77.5Confident85.7Confident163 Ų16377.1 Ų77.162%0.61539%0.388SS*.PPolyproline II helixtrans-56.5123.9174.3-176.3178.1-177.9178.24.6111.5L178 R323R176-L178 HydrophobicContact CG-CD2 4.09Å; R176-L178 HydrophobicContact CG-CG 4.29Å; R176-L178 PolarHBondContact O-N 3.12Å; R176-R323 PolarHBondContact O-NH2 3.43Å
177A76.8Confident85.5Confident96 Ų9678 Ų7879%0.79340%0.395SS*.PPolyproline II helixtrans-65.3120.5166.400000109.5T175T175-A177 PolarHBondContact O-N 2.82Å
178L82.6Confident85.5Confident29 Ų2977.5 Ų77.515%0.15239%0.391CS..  trans-118.9120.4-178.7-71.9173000109.1R176 N184 I187 L188R176-L178 HydrophobicContact CG-CD2 4.09Å; R176-L178 HydrophobicContact CG-CG 4.29Å; R176-L178 PolarHBondContact O-N 3.12Å; L178-N184 HydrophobicContact CB-CB 4.47Å; L178-I187 HydrophobicContact CD1-CB 4.37Å; L178-I187 HydrophobicContact CD1-CG2 3.99Å; L178-I187 HydrophobicContact CD2-CD1 4.29Å; L178-I187 HydrophobicContact CD2-CG2 4.34Å; L178-L188 HydrophobicContact CD1-CD2 3.78Å; L178-L188 HydrophobicContact CD1-CG 3.87Å
179P84.9Confident85.6Confident88 Ų8870.1 Ų70.157%0.57137%0.365SS*.  trans-53.9141.6173-28.135.3000111.7T181 N184P179-T181 HydrophobicContact CB-CG2 4.3Å; P179-T181 PolarHBondContact O-N 3.37Å; P179-N184 PolarHBondContact O-ND2 3.28Å
180A85Confident85.8Confident17 Ų1768 Ų6814%0.1436%0.356CS..SBendtrans-74.558.2-17300000113.3C330 L331 Q334A180-C330 HydrophobicContact CB-CB 3.48Å; A180-C330 VanDerWaalsContact CB-CB 3.48Å; A180-L331 HydrophobicContact CB-CB 4.18Å; A180-L331 VanDerWaalsContact O-CD1 3.25Å; A180-L331 WeakPolarHBondContact O-CD1 3.38Å; A180-Q334 PolarHBondContact O-OE1 3.36Å
181T86.7Confident86Confident56 Ų5669.5 Ų69.534%0.34436%0.362SS..  trans-117.6144-176.570.30000111.1P179 K183 N184 Y327P179-T181 HydrophobicContact CB-CG2 4.3Å; P179-T181 PolarHBondContact O-N 3.37Å; T181-K183 PolarHBondContact O-N 3.07Å; T181-N184 WeakPolarHBondContact O-CB 3.39Å; T181-N184 PolarHBondContact O-N 3.47Å; T181-N184 PolarHBondContact OG1-ND2 2.82Å; T181-Y327 PolarHBondContact O-OH 3.18Å
182L85.1Confident86.3Confident47 Ų4767 Ų6725%0.24635%0.351CS..G310 helixtrans-43.8-41.1-179.317563.1000114.4N184 C185 D402 C405 M406L182-N184 PolarHBondContact O-N 2.77Å; L182-C185 WeakPolarHBondContact O-CB 3.3Å; L182-C185 PolarHBondContact O-N 3.18Å; L182-C185 PolarHBondContact O-SG 3.41Å; L182-D402 HydrophobicContact CD1-CB 4.36Å; L182-D402 WeakPolarHBondContact CD1-O 3.29Å; L182-D402 HydrophobicContact CD2-CB 3.83Å; L182-C405 HydrophobicContact CD1-CB 4.26Å; L182-C405 PolarHBondContact O-SG 2.89Å; L182-M406 HydrophobicContact CD1-CG 3.38Å; L182-M406 HydrophobicContact CD1-SD 4.12Å
183K86.5Confident87Confident177 Ų17766.1 Ų66.177%0.7733%0.333SS*.G310 helixtrans-61-31.2-179.5-66.1-176.2178.9-179.40113T181 C185T181-K183 PolarHBondContact O-N 3.07Å; K183-C185 VanDerWaalsContact C-N 3.32Å; K183-C185 PolarHBondContact O-N 2.67Å
184N91.5Very high87.7Confident25 Ų2559.3 Ų59.313%0.13431%0.311CS..G310 helixtrans-80.2-10.9-177.4-65.7-17.2000113.2L178 P179 T181 L182 T186 I187 L188 Y327L178-N184 HydrophobicContact CB-CB 4.47Å; P179-N184 PolarHBondContact O-ND2 3.28Å; T181-N184 WeakPolarHBondContact O-CB 3.39Å; T181-N184 PolarHBondContact O-N 3.47Å; T181-N184 PolarHBondContact OG1-ND2 2.82Å; L182-N184 PolarHBondContact O-N 2.77Å; N184-T186 VanDerWaalsContact C-N 3.29Å; N184-T186 PolarHBondContact O-N 2.78Å; N184-I187 HydrophobicContact CB-CD1 4.49Å; N184-I187 WeakPolarHBondContact O-CB 3.49Å; N184-I187 PolarHBondContact O-N 3.07Å; N184-I187 VanDerWaalsContact O-N 3.11Å; N184-I187 WeakPolarHBondContact OD1-CD1 3.49Å; N184-L188 PolarHBondContact O-N 3.42Å; N184-L188 VanDerWaalsContact O-N 3.13Å; N184-Y327 HydrophobicContact CB-CE2 4.25Å
185C92.5Very high88.2Confident0 Ų056.1 Ų56.10%029%0.293CS..Hα-helixtrans-57.6-43.7171.5-65.60000110.8L182 K183 I187 L188 A189 Y327 C405 P409L182-C185 WeakPolarHBondContact O-CB 3.3Å; L182-C185 PolarHBondContact O-N 3.18Å; L182-C185 PolarHBondContact O-SG 3.41Å; K183-C185 VanDerWaalsContact C-N 3.32Å; K183-C185 PolarHBondContact O-N 2.67Å; C185-I187 PolarHBondContact O-N 2.67Å; C185-L188 PolarHBondContact O-N 3.49Å; C185-A189 PolarHBondContact O-N 3.25Å; C185-Y327 PolarHBondContact N-OH 2.69Å; C185-Y327 VanDerWaalsContact N-OH 3.12Å; C185-Y327 PolarHBondContact SG-OH 3.14Å; C185-C405 WeakPolarHBondContact CB-O 3.24Å; C185-P409 HydrophobicContact CB-CG 4.28Å; C185-P409 WeakPolarHBondContact O-CG 3.46Å
186T89.7Confident89Confident66 Ų6655.5 Ų55.541%0.40529%0.289SS..Hα-helixtrans-59.8-34.3176.6-40.80000112.6N184 N190 C405N184-T186 VanDerWaalsContact C-N 3.29Å; N184-T186 PolarHBondContact O-N 2.78Å; T186-N190 PolarHBondContact O-N 2.76Å; T186-N190 PolarHBondContact O-ND2 3.32Å; T186-C405 PolarHBondContact OG1-SG 2.79Å; T186-C405 VanDerWaalsContact OG1-SG 3.36Å
187I90.3Very high89.8Confident53 Ų5352.3 Ų52.327%0.27228%0.284SS..Hα-helixtrans-68.5-49.6178.1-57.7176.5000109.2L178 N184 C185 A189 N190 E191L178-I187 HydrophobicContact CD1-CB 4.37Å; L178-I187 HydrophobicContact CD1-CG2 3.99Å; L178-I187 HydrophobicContact CD2-CD1 4.29Å; L178-I187 HydrophobicContact CD2-CG2 4.34Å; N184-I187 HydrophobicContact CB-CD1 4.49Å; N184-I187 WeakPolarHBondContact O-CB 3.49Å; N184-I187 PolarHBondContact O-N 3.07Å; N184-I187 VanDerWaalsContact O-N 3.11Å; N184-I187 WeakPolarHBondContact OD1-CD1 3.49Å; C185-I187 PolarHBondContact O-N 2.67Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 2.91Å; I187-N190 PolarHBondContact O-N 2.9Å; I187-N190 VanDerWaalsContact O-N 3.1Å; I187-E191 HydrophobicContact CG2-CG 4.46Å; I187-E191 WeakPolarHBondContact CG2-OE1 3.37Å; I187-E191 WeakPolarHBondContact O-CG 3.42Å; I187-E191 PolarHBondContact O-N 3.18Å
188L91.5Very high90.6Very high4 Ų450.7 Ų50.72%0.02126%0.26CS..Hα-helixtrans-59.2-41.1176.1-70.8168000112.2L178 N184 C185 N190 E191 L192 L324 Y327 P409L178-L188 HydrophobicContact CD1-CD2 3.78Å; L178-L188 HydrophobicContact CD1-CG 3.87Å; N184-L188 PolarHBondContact O-N 3.42Å; N184-L188 VanDerWaalsContact O-N 3.13Å; C185-L188 PolarHBondContact O-N 3.49Å; L188-N190 VanDerWaalsContact C-N 3.32Å; L188-N190 PolarHBondContact O-N 2.83Å; L188-E191 PolarHBondContact O-N 3.18Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CG 3.2Å; L188-L192 PolarHBondContact O-N 2.92Å; L188-L324 HydrophobicContact CB-CD2 4.4Å; L188-L324 HydrophobicContact CD1-CD2 4.2Å; L188-Y327 HydrophobicContact CD1-CD1 3.46Å; L188-Y327 VanDerWaalsContact CD1-CD1 3.46Å; L188-Y327 HydrophobicContact CD1-CD2 3.72Å; L188-Y327 HydrophobicContact CD1-CE1 3.57Å; L188-Y327 HydrophobicContact CD1-CE2 3.82Å; L188-Y327 HydrophobicContact CD1-CG 3.54Å; L188-P409 HydrophobicContact CB-CB 4.34Å; L188-P409 HydrophobicContact CB-CG 4.32Å
189A93.3Very high91.2Very high6 Ų649.3 Ų49.35%0.0525%0.253CS..Hα-helixtrans-63.5-35.4175.400000112.9C185 I187 R193 S408 P409 R412C185-A189 PolarHBondContact O-N 3.25Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 2.91Å; A189-R193 VanDerWaalsContact O-CB 3.3Å; A189-R193 WeakPolarHBondContact O-CB 3.3Å; A189-R193 PolarHBondContact O-N 3.36Å; A189-R193 VanDerWaalsContact O-N 3.09Å; A189-S408 WeakPolarHBondContact CB-OG 3.39Å; A189-P409 HydrophobicContact CB-CB 4.43Å; A189-P409 HydrophobicContact CB-CG 4.09Å; A189-R412 HydrophobicContact CB-CG 4.44Å
190N92.7Very high91.6Very high60 Ų6048.6 Ų48.632%0.32124%0.243SC..Hα-helixtrans-71.9-46.3175-75.2-30.7000111.9T186 I187 L188 L192 R193 E194T186-N190 PolarHBondContact O-N 2.76Å; T186-N190 PolarHBondContact O-ND2 3.32Å; I187-N190 PolarHBondContact O-N 2.9Å; I187-N190 VanDerWaalsContact O-N 3.1Å; L188-N190 VanDerWaalsContact C-N 3.32Å; L188-N190 PolarHBondContact O-N 2.83Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.81Å; N190-R193 PolarHBondContact O-N 2.9Å; N190-R193 VanDerWaalsContact OD1-CZ 3.28Å; N190-R193 PolarHBondContact OD1-NH2 3.19Å; N190-R193 VanDerWaalsContact OD1-NH2 3.1Å; N190-E194 WeakPolarHBondContact O-CG 3.08Å; N190-E194 PolarHBondContact O-N 2.97Å
191E90.9Very high92Very high40 Ų4053.3 Ų53.319%0.18726%0.262CS..Hα-helixtrans-55.6-47.1175.7-71.7176.2-167.800110.8I187 L188 E194 H195 R323I187-E191 HydrophobicContact CG2-CG 4.46Å; I187-E191 WeakPolarHBondContact CG2-OE1 3.37Å; I187-E191 WeakPolarHBondContact O-CG 3.42Å; I187-E191 PolarHBondContact O-N 3.18Å; L188-E191 PolarHBondContact O-N 3.18Å; E191-E194 PolarHBondContact O-N 3.38Å; E191-H195 PolarHBondContact O-CD2 3.11Å; E191-H195 PolarHBondContact O-N 3.17Å; E191-R323 IonicContact OE1-NH2 3.14Å; E191-R323 IonicContact OE2-CZ 2.87Å; E191-R323 IonicContact OE2-NH1 3.67Å; E191-R323 PolarHBondContact OE2-NH1 2.98Å; E191-R323 IonicContact OE2-NH2 2.67Å; E191-R323 PolarHBondContact OE2-NH2 3.47Å
192L94.2Very high92.3Very high10 Ų1051 Ų515%0.05225%0.248CC..Hα-helixtrans-62.7-46.1176.2-67.9167.8000112.5L188 N190 E194 H195 L196 L324 P409 R412 H416L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CG 3.2Å; L188-L192 PolarHBondContact O-N 2.92Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.81Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 3.43Å; L192-H195 PolarHBondContact O-N 2.77Å; L192-L196 WeakPolarHBondContact O-CB 3.13Å; L192-L196 PolarHBondContact O-N 3.3Å; L192-L324 HydrophobicContact CD1-CD1 3.95Å; L192-L324 HydrophobicContact CD1-CD2 4.3Å; L192-L324 HydrophobicContact CD1-CG 4.41Å; L192-P409 HydrophobicContact CD1-CB 3.99Å; L192-P409 WeakPolarHBondContact CD1-O 3.29Å; L192-R412 HydrophobicContact CB-CB 3.76Å; L192-R412 HydrophobicContact CD1-CB 4.23Å; L192-H416 PolarHBondContact O-NE2 3.06Å; L192-H416 VanDerWaalsContact O-NE2 3.16Å
193R95Very high92.7Very high97 Ų9749.9 Ų49.937%0.36624%0.24SC..Hα-helixtrans-58.9-38.3176.1179-167.764.6177.3-2.3111.9A189 N190 L196 N197A189-R193 VanDerWaalsContact O-CB 3.3Å; A189-R193 WeakPolarHBondContact O-CB 3.3Å; A189-R193 PolarHBondContact O-N 3.36Å; A189-R193 VanDerWaalsContact O-N 3.09Å; N190-R193 PolarHBondContact O-N 2.9Å; N190-R193 VanDerWaalsContact OD1-CZ 3.28Å; N190-R193 PolarHBondContact OD1-NH2 3.19Å; N190-R193 VanDerWaalsContact OD1-NH2 3.1Å; R193-L196 PolarHBondContact O-N 3.06Å; R193-N197 WeakPolarHBondContact O-CB 3.21Å; R193-N197 PolarHBondContact O-N 2.93Å; R193-N197 PolarHBondContact O-OD1 2.6Å
194E93.4Very high92.9Very high96 Ų9643 Ų4345%0.44922%0.22SC..Hα-helixtrans-70.4-39.5176.6-74.2166.5-146.700112R166 N190 E191 L192 H198R166-E194 PolarHBondContact NH2-O 2.98Å; N190-E194 WeakPolarHBondContact O-CG 3.08Å; N190-E194 PolarHBondContact O-N 2.97Å; E191-E194 PolarHBondContact O-N 3.38Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 3.43Å; E194-H198 WeakPolarHBondContact O-CB 3.23Å; E194-H198 PolarHBondContact O-N 2.81Å
195H94.4Very high93.1Very high18 Ų1844.6 Ų44.68%0.08322%0.224CC..Hα-helixtrans-60-48.6170.5-75-62.4000111.2R166 E191 L192 H198 M199 L316R166-H195 PolarHBondContact NE-ND1 2.84Å; E191-H195 PolarHBondContact O-CD2 3.11Å; E191-H195 PolarHBondContact O-N 3.17Å; L192-H195 PolarHBondContact O-N 2.77Å; H195-H198 PolarHBondContact O-N 2.76Å; H195-M199 VanDerWaalsContact O-CG 3.3Å; H195-M199 WeakPolarHBondContact O-CG 3.12Å; H195-M199 PolarHBondContact O-N 2.88Å; H195-L316 HydrophobicContact CB-CD1 4.12Å; H195-L316 HydrophobicContact CB-CD2 4.22Å
196L94Very high93.1Very high17 Ų1744.7 Ų44.79%0.08923%0.225CC..Hα-helixtrans-55.1-54.4177.7-179.858.3000112.2L192 R193 H198 M199 I200 W313 D415 H416L192-L196 WeakPolarHBondContact O-CB 3.13Å; L192-L196 PolarHBondContact O-N 3.3Å; R193-L196 PolarHBondContact O-N 3.06Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 2.86Å; L196-M199 PolarHBondContact O-N 3.46Å; L196-I200 HydrophobicContact CD1-CD1 3.82Å; L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 3.86Å; L196-I200 VanDerWaalsContact O-CG1 3.32Å; L196-I200 WeakPolarHBondContact O-CG1 3.36Å; L196-I200 PolarHBondContact O-N 3.28Å; L196-W313 HydrophobicContact CD1-CZ2 3.83Å; L196-D415 HydrophobicContact CD2-CB 3.67Å; L196-H416 WeakPolarHBondContact CA-CE1 2.97Å; L196-H416 HydrophobicContact CD1-CB 4.47Å; L196-H416 PolarHBondContact N-CE1 2.84Å; L196-H416 VanDerWaalsContact N-CE1 3.27Å; L196-H416 PolarHBondContact N-NE2 3.37Å
197N94.8Very high93.1Very high96 Ų9642.4 Ų42.451%0.51322%0.215SC..Hα-helixtrans-57.8-41-179.1-71.8-9.2000112.3R193 H201R193-N197 WeakPolarHBondContact O-CB 3.21Å; R193-N197 PolarHBondContact O-N 2.93Å; R193-N197 PolarHBondContact O-OD1 2.6Å; N197-H201 PolarHBondContact O-N 2.92Å; N197-H201 VanDerWaalsContact O-N 3.08Å
198H93.6Very high93.3Very high63 Ų6345.3 Ų45.329%0.29223%0.231SC..Hα-helixtrans-73.9-35.7-179-164.289.7000112.4E194 H195 L196 H201 L202E194-H198 WeakPolarHBondContact O-CB 3.23Å; E194-H198 PolarHBondContact O-N 2.81Å; H195-H198 PolarHBondContact O-N 2.76Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 2.86Å; H198-H201 PolarHBondContact O-N 3Å; H198-L202 WeakPolarHBondContact O-CG 3.34Å; H198-L202 PolarHBondContact O-N 2.87Å
199M94.8Very high93.3Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-71-37.1174.9-66.8-57.3-6400112.1L163 R166 H195 L196 H201 L202 W203 W313 L316L163-M199 HydrophobicContact CD1-CE 3.7Å; L163-M199 HydrophobicContact CD1-SD 4.17Å; R166-M199 HydrophobicContact CG-SD 4.15Å; H195-M199 VanDerWaalsContact O-CG 3.3Å; H195-M199 WeakPolarHBondContact O-CG 3.12Å; H195-M199 PolarHBondContact O-N 2.88Å; L196-M199 PolarHBondContact O-N 3.46Å; M199-H201 VanDerWaalsContact C-N 3.32Å; M199-H201 PolarHBondContact O-N 3.11Å; M199-L202 PolarHBondContact O-N 3.25Å; M199-L202 HydrophobicContact SD-CD1 4.32Å; M199-W203 WeakPolarHBondContact O-CB 3.13Å; M199-W203 PolarHBondContact O-N 3.01Å; M199-W313 VanDerWaalsContact C-CZ3 3.46Å; M199-W313 HydrophobicContact CB-CD2 3.75Å; M199-W313 HydrophobicContact CB-CE3 3.63Å; M199-W313 HydrophobicContact CB-CG 4.43Å; M199-W313 HydrophobicContact CB-CH2 4.05Å; M199-W313 HydrophobicContact CB-CZ2 4.17Å; M199-W313 HydrophobicContact CB-CZ3 3.78Å; M199-W313 HydrophobicContact CE-CB 3.66Å; M199-W313 HydrophobicContact CE-CD2 4.2Å; M199-W313 HydrophobicContact CE-CE3 4.12Å; M199-W313 HydrophobicContact CE-CG 4.03Å; M199-W313 HydrophobicContact CG-CD2 4.4Å; M199-W313 WeakPolarHBondContact O-CZ3 3.47Å; M199-L316 HydrophobicContact CG-CD1 4.14Å; M199-L316 HydrophobicContact SD-CD1 4.33Å
200I93.3Very high93.1Very high72 Ų7247 Ų4737%0.36924%0.239SC..Hα-helixtrans-58.2-45169.2-69.2167.9000110.5L196 W203 G204 W313 Q419L196-I200 HydrophobicContact CD1-CD1 3.82Å; L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 3.86Å; L196-I200 VanDerWaalsContact O-CG1 3.32Å; L196-I200 WeakPolarHBondContact O-CG1 3.36Å; L196-I200 PolarHBondContact O-N 3.28Å; I200-W203 PolarHBondContact O-N 2.89Å; I200-G204 PolarHBondContact O-N 3.06Å; I200-W313 HydrophobicContact CB-CH2 4.5Å; I200-W313 HydrophobicContact CG1-CH2 3.68Å; I200-W313 HydrophobicContact CG1-CZ2 4.37Å; I200-Q419 HydrophobicContact CG1-CG 4.43Å
201H93.6Very high92.9Very high117 Ų11748.6 Ų48.654%0.54224%0.244SC..Hα-helixtrans-62.4-48.2177175.978.9000112.4N197 H198 M199 W203 G204 R205N197-H201 PolarHBondContact O-N 2.92Å; N197-H201 VanDerWaalsContact O-N 3.08Å; H198-H201 PolarHBondContact O-N 3Å; M199-H201 VanDerWaalsContact C-N 3.32Å; M199-H201 PolarHBondContact O-N 3.11Å; H201-W203 VanDerWaalsContact C-N 3.33Å; H201-W203 PolarHBondContact O-N 2.82Å; H201-G204 PolarHBondContact O-N 2.78Å; H201-R205 PolarHBondContact O-N 2.93Å
202L93.9Very high92.9Very high8 Ų851.5 Ų51.54%0.04226%0.258CS..Hα-helixtrans-63.9-36.4178.2-70.1175.4000112.3L163 H198 M199 R205 S206L163-L202 HydrophobicContact CB-CD1 4.3Å; L163-L202 HydrophobicContact CD1-CD1 3.85Å; H198-L202 WeakPolarHBondContact O-CG 3.34Å; H198-L202 PolarHBondContact O-N 2.87Å; M199-L202 PolarHBondContact O-N 3.25Å; M199-L202 HydrophobicContact SD-CD1 4.32Å; L202-R205 PolarHBondContact O-N 3.37Å; L202-S206 PolarHBondContact O-N 2.98Å
203W92.6Very high92.7Very high22 Ų2251 Ų518%0.08326%0.255CS..Hα-helixtrans-62.7-45.8172.4175.3-107.7000112.3M199 I200 H201 S206 G207 R306 C309 I310 W313 L423M199-W203 WeakPolarHBondContact O-CB 3.13Å; M199-W203 PolarHBondContact O-N 3.01Å; I200-W203 PolarHBondContact O-N 2.89Å; H201-W203 VanDerWaalsContact C-N 3.33Å; H201-W203 PolarHBondContact O-N 2.82Å; W203-S206 PolarHBondContact O-N 3.42Å; W203-S206 PolarHBondContact O-OG 2.93Å; W203-G207 PolarHBondContact O-N 3.08Å; W203-G207 VanDerWaalsContact O-N 3.1Å; W203-R306 HydrophobicContact CE3-CG 4.19Å; W203-R306 HydrophobicContact CH2-CG 3.94Å; W203-R306 VanDerWaalsContact CH2-CZ 3.43Å; W203-R306 HydrophobicContact CZ3-CG 3.49Å; W203-R306 VanDerWaalsContact CZ3-CG 3.49Å; W203-R306 PolarHBondContact O-NH1 3.42Å; W203-C309 HydrophobicContact CE3-CB 4.31Å; W203-I310 HydrophobicContact CH2-CD1 4.05Å; W203-I310 HydrophobicContact CH2-CG1 4.17Å; W203-I310 HydrophobicContact CZ3-CD1 3.98Å; W203-I310 HydrophobicContact CZ3-CG1 3.67Å; W203-W313 HydrophobicContact CB-CZ3 4.05Å; W203-L423 HydrophobicContact CB-CD1 4.41Å; W203-L423 HydrophobicContact CD2-CD1 3.56Å; W203-L423 HydrophobicContact CD2-CD2 4.21Å; W203-L423 HydrophobicContact CD2-CG 4.43Å; W203-L423 VanDerWaalsContact CE2-CD2 3.49Å; W203-L423 HydrophobicContact CE3-CD1 3.95Å; W203-L423 HydrophobicContact CG-CD1 3.79Å; W203-L423 HydrophobicContact CG-CD2 4.33Å; W203-L423 HydrophobicContact CH2-CB 4.4Å; W203-L423 HydrophobicContact CH2-CD1 4.41Å; W203-L423 HydrophobicContact CZ2-CB 4.12Å; W203-L423 HydrophobicContact CZ2-CD1 4.08Å; W203-L423 HydrophobicContact CZ2-CD2 3.79Å; W203-L423 HydrophobicContact CZ2-CG 4.18Å; W203-L423 HydrophobicContact CZ3-CD1 4.37Å
204G91.9Very high92.4Very high34 Ų3452.8 Ų52.835%0.35126%0.262SS..Hα-helixtrans-58.5-47.417400000111.9I200 H201 S206 G207 N208I200-G204 PolarHBondContact O-N 3.06Å; H201-G204 PolarHBondContact O-N 2.78Å; G204-S206 VanDerWaalsContact C-N 3.34Å; G204-S206 PolarHBondContact O-N 3.23Å; G204-G207 PolarHBondContact O-N 3.29Å; G204-N208 PolarHBondContact O-N 3.19Å; G204-N208 PolarHBondContact O-OD1 3.38Å
205R95.3Very high92.1Very high57 Ų5756.9 Ų56.922%0.21527%0.273CS..Hα-helixtrans-59.9-39.5175.9-176.2170.8168.8151.90.2112.5A155 E158 H201 L202 G207 N208 L209A155-R205 VanDerWaalsContact CA-NH2 3.31Å; A155-R205 PolarHBondContact O-NH2 2.84Å; E158-R205 VanDerWaalsContact CD-NH1 3.31Å; E158-R205 IonicContact OE1-NH1 3.88Å; E158-R205 PolarHBondContact OE1-NH1 3.28Å; E158-R205 IonicContact OE2-CZ 3.22Å; E158-R205 VanDerWaalsContact OE2-CZ 3.25Å; E158-R205 IonicContact OE2-NH1 3.49Å; E158-R205 PolarHBondContact OE2-NH1 2.79Å; E158-R205 IonicContact OE2-NH2 2.67Å; E158-R205 PolarHBondContact OE2-NH2 3.13Å; H201-R205 PolarHBondContact O-N 2.93Å; L202-R205 PolarHBondContact O-N 3.37Å; R205-G207 VanDerWaalsContact C-N 3.3Å; R205-G207 PolarHBondContact O-N 2.99Å; R205-N208 PolarHBondContact O-N 2.99Å; R205-L209 HydrophobicContact CG-CD1 4.11Å; R205-L209 WeakPolarHBondContact O-CG 3.42Å; R205-L209 PolarHBondContact O-N 3.35Å
206S92.7Very high92Very high2 Ų256.5 Ų56.51%0.01427%0.272CS..Hα-helixtrans-64.2-32.9174.279.10000113L202 W203 G204 L210 R306L202-S206 PolarHBondContact O-N 2.98Å; W203-S206 PolarHBondContact O-N 3.42Å; W203-S206 PolarHBondContact O-OG 2.93Å; G204-S206 VanDerWaalsContact C-N 3.34Å; G204-S206 PolarHBondContact O-N 3.23Å; S206-L210 PolarHBondContact O-N 3.32Å; S206-L210 VanDerWaalsContact O-N 3.13Å; S206-R306 PolarHBondContact OG-NH1 3.22Å
207G89.3Confident91.8Very high19 Ų1956.4 Ų56.420%0.19627%0.272CS..Hα-helixtrans-68.6-45.9175.300000112W203 G204 R205 L209 L210 E211W203-G207 PolarHBondContact O-N 3.08Å; W203-G207 VanDerWaalsContact O-N 3.1Å; G204-G207 PolarHBondContact O-N 3.29Å; R205-G207 VanDerWaalsContact C-N 3.3Å; R205-G207 PolarHBondContact O-N 2.99Å; G207-L209 PolarHBondContact O-N 3.04Å; G207-L210 WeakPolarHBondContact O-CB 3.5Å; G207-L210 PolarHBondContact O-N 3.49Å; G207-E211 PolarHBondContact O-N 3.01Å
208N93.2Very high91.6Very high114 Ų11452 Ų5261%0.6125%0.249SC*.Hα-helixtrans-61-45176.3-65.14.4000111.2G204 R205 L210 E211 E212G204-N208 PolarHBondContact O-N 3.19Å; G204-N208 PolarHBondContact O-OD1 3.38Å; R205-N208 PolarHBondContact O-N 2.99Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.39Å; N208-E211 PolarHBondContact O-N 3.45Å; N208-E211 VanDerWaalsContact O-N 3.15Å; N208-E212 PolarHBondContact O-N 3.17Å
209L93.6Very high91.4Very high15 Ų1550.4 Ų50.48%0.07924%0.243CC..Hα-helixtrans-63.1-30176.8-71167.9000112.8F152 A155 V156 A159 R205 G207 S213 S302 L305F152-L209 HydrophobicContact CD2-CD2 4.03Å; F152-L209 HydrophobicContact CE2-CB 4.32Å; F152-L209 HydrophobicContact CE2-CD2 4.15Å; F152-L209 WeakPolarHBondContact CE2-O 3.06Å; A155-L209 HydrophobicContact CB-CD2 3.86Å; V156-L209 HydrophobicContact CG2-CD1 4.1Å; V156-L209 HydrophobicContact CG2-CD2 4.26Å; A159-L209 HydrophobicContact CB-CD1 4.29Å; R205-L209 HydrophobicContact CG-CD1 4.11Å; R205-L209 WeakPolarHBondContact O-CG 3.42Å; R205-L209 PolarHBondContact O-N 3.35Å; G207-L209 PolarHBondContact O-N 3.04Å; L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.22Å; L209-S213 PolarHBondContact O-N 3.09Å; L209-S302 PolarHBondContact O-OG 3.34Å; L209-L305 HydrophobicContact CB-CD2 4.5Å; L209-L305 HydrophobicContact CD1-CD2 3.56Å
210L88.7Confident91.1Very high30 Ų3053.3 Ų53.316%0.15726%0.256CS..Hα-helixtrans-67.8-40.1173.2-175.461.5000112.1S206 G207 N208 S213 V303S206-L210 PolarHBondContact O-N 3.32Å; S206-L210 VanDerWaalsContact O-N 3.13Å; G207-L210 WeakPolarHBondContact O-CB 3.5Å; G207-L210 PolarHBondContact O-N 3.49Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.39Å; L210-S213 PolarHBondContact O-OG 2.95Å; L210-V303 HydrophobicContact CD1-CG2 3.78Å
211E88.3Confident90.8Very high94 Ų9450.4 Ų50.444%0.43924%0.242SC..Hα-helixtrans-75.8-36.6178.1-64.9-54.3126.200112.9G207 N208 S213 R214G207-E211 PolarHBondContact O-N 3.01Å; N208-E211 PolarHBondContact O-N 3.45Å; N208-E211 VanDerWaalsContact O-N 3.15Å; E211-S213 VanDerWaalsContact C-N 3.33Å; E211-S213 PolarHBondContact O-N 3.14Å; E211-R214 VanDerWaalsContact CD-NE 3.28Å; E211-R214 WeakPolarHBondContact O-CB 3.25Å; E211-R214 PolarHBondContact O-N 3.11Å; E211-R214 IonicContact OE1-CZ 2.88Å; E211-R214 IonicContact OE1-NE 3.95Å; E211-R214 PolarHBondContact OE1-NE 3.5Å; E211-R214 VanDerWaalsContact OE1-NE 3.15Å; E211-R214 IonicContact OE1-NH2 3.85Å; E211-R214 PolarHBondContact OE1-NH2 3.4Å; E211-R214 WeakPolarHBondContact OE2-CD 3.38Å; E211-R214 IonicContact OE2-CZ 2.85Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.29Å; E211-R214 IonicContact OE2-NH2 2.69Å
212E90.5Very high90.6Very high101 Ų10147 Ų4747%0.47222%0.224SC..Hα-helixtrans-64.7-35.8172.1-66.2-48.9137.600112.3N208 R214 R215N208-E212 PolarHBondContact O-N 3.17Å; E212-R214 PolarHBondContact O-N 2.83Å; E212-R215 WeakPolarHBondContact O-CB 3.07Å; E212-R215 PolarHBondContact O-N 2.81Å
213S90.8Very high90.1Very high0 Ų053.5 Ų53.50%026%0.258CS..Hα-helixtrans-57.8-23.9178.772.50000114.1L209 L210 E211 R215 V299L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.22Å; L209-S213 PolarHBondContact O-N 3.09Å; L210-S213 PolarHBondContact O-OG 2.95Å; E211-S213 VanDerWaalsContact C-N 3.33Å; E211-S213 PolarHBondContact O-N 3.14Å; S213-R215 PolarHBondContact O-N 3.32Å; S213-V299 WeakPolarHBondContact OG-CA 3.26Å
214R87Confident89.5Confident133 Ų13353.4 Ų53.450%0.50226%0.264SS..THydrogen-bonded Turntrans-70.1-14.7174.8-53.2-176.4-170.4-74.9-4.6114E211 E212E211-R214 VanDerWaalsContact CD-NE 3.28Å; E211-R214 WeakPolarHBondContact O-CB 3.25Å; E211-R214 PolarHBondContact O-N 3.11Å; E211-R214 IonicContact OE1-CZ 2.88Å; E211-R214 IonicContact OE1-NE 3.95Å; E211-R214 PolarHBondContact OE1-NE 3.5Å; E211-R214 VanDerWaalsContact OE1-NE 3.15Å; E211-R214 IonicContact OE1-NH2 3.85Å; E211-R214 PolarHBondContact OE1-NH2 3.4Å; E211-R214 WeakPolarHBondContact OE2-CD 3.38Å; E211-R214 IonicContact OE2-CZ 2.85Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.29Å; E211-R214 IonicContact OE2-NH2 2.69Å; E212-R214 PolarHBondContact O-N 2.83Å
215R88.3Confident88.9Confident183 Ų18352 Ų5269%0.69125%0.249SC*.THydrogen-bonded Turntrans-105-16-177-56.6-177.9179-75.9-3.5112.9E212 S213 V217E212-R215 WeakPolarHBondContact O-CB 3.07Å; E212-R215 PolarHBondContact O-N 2.81Å; S213-R215 PolarHBondContact O-N 3.32Å; R215-V217 PolarHBondContact O-N 3.36Å
216I92.1Very high88.5Confident10 Ų1049.2 Ų49.25%0.05124%0.238CC..  trans-69.7124.5-178.1-58.4-55.6000109.6E148 Y149 F152 P294 D295 A298E148-I216 HydrophobicContact CB-CD1 4.39Å; Y149-I216 HydrophobicContact CD2-CG2 3.68Å; Y149-I216 HydrophobicContact CG-CG2 4.36Å; F152-I216 HydrophobicContact CB-CD1 3.66Å; F152-I216 HydrophobicContact CB-CG1 3.97Å; F152-I216 HydrophobicContact CD1-CG1 4.08Å; F152-I216 HydrophobicContact CD2-CG1 4.2Å; F152-I216 HydrophobicContact CG-CD1 4.05Å; F152-I216 HydrophobicContact CG-CG1 3.78Å; I216-P294 CarbonylContact O-C 3.59Å; I216-P294 WeakPolarHBondContact O-CA 3.46Å; I216-D295 HydrophobicContact CG2-CB 4.26Å; I216-D295 PolarHBondContact O-N 3.27Å; I216-A298 HydrophobicContact CB-CB 4.1Å; I216-A298 HydrophobicContact CG2-CB 4.06Å
217V90.7Very high88Confident14 Ų1452 Ų529%0.08525%0.252CS..  trans-81.5141.9174.5166.60000109.7R215 V219 W290 I291R215-V217 PolarHBondContact O-N 3.36Å; V217-V219 HydrophobicContact CG1-CG2 4.46Å; V217-V219 PolarHBondContact O-N 3.14Å; V217-W290 HydrophobicContact CG2-CZ2 3.66Å; V217-I291 WeakPolarHBondContact CG1-O 3.36Å
218P88.8Confident87.6Confident5 Ų557.2 Ų57.23%0.03228%0.276CS..  trans-74.173.8176.530.8-36.8000111.3H220 L221 I291 D293 D295P218-H220 PolarHBondContact O-N 3.41Å; P218-H220 VanDerWaalsContact O-N 3.15Å; P218-L221 HydrophobicContact CB-CD1 3.89Å; P218-L221 HydrophobicContact CB-CG 4.04Å; P218-L221 HydrophobicContact CG-CD1 3.88Å; P218-L221 HydrophobicContact CG-CG 4.48Å; P218-L221 WeakPolarHBondContact O-CB 3.42Å; P218-L221 PolarHBondContact O-N 2.8Å; P218-I291 HydrophobicContact CG-CG2 3.9Å; P218-D293 WeakPolarHBondContact CD-O 3.46Å; P218-D295 WeakPolarHBondContact CA-OD2 3.35Å; P218-D295 HydrophobicContact CB-CB 3.92Å
219V90.4Very high87Confident28 Ų2851.8 Ų51.817%0.1725%0.247CC..G310 helixtrans-56.7-31178.8176.20000111.1N145 A146 Y149 V217 L221 R222N145-V219 HydrophobicContact CB-CG2 4.35Å; A146-V219 HydrophobicContact CB-CG1 4.23Å; Y149-V219 HydrophobicContact CD1-CB 4.36Å; Y149-V219 HydrophobicContact CD2-CB 4.33Å; Y149-V219 HydrophobicContact CD2-CG2 4.49Å; Y149-V219 HydrophobicContact CG-CB 4.1Å; Y149-V219 HydrophobicContact CG-CG2 4.16Å; V217-V219 HydrophobicContact CG1-CG2 4.46Å; V217-V219 PolarHBondContact O-N 3.14Å; V219-L221 VanDerWaalsContact C-N 3.29Å; V219-L221 PolarHBondContact O-N 3.16Å; V219-R222 VanDerWaalsContact O-CB 3.31Å; V219-R222 WeakPolarHBondContact O-CB 3.03Å; V219-R222 WeakPolarHBondContact O-CG 3.43Å; V219-R222 PolarHBondContact O-N 3.44Å; V219-R222 VanDerWaalsContact O-N 3.14Å
220H87.7Confident86.5Confident61 Ų6154.4 Ų54.428%0.28226%0.261SS..G310 helixtrans-59.3-34.7175.871.7-99.4000113.2P218 R222 L223 D295P218-H220 PolarHBondContact O-N 3.41Å; P218-H220 VanDerWaalsContact O-N 3.15Å; H220-R222 PolarHBondContact O-N 3.41Å; H220-L223 PolarHBondContact O-N 3.18Å; H220-L223 VanDerWaalsContact O-N 3.16Å; H220-D295 IonicContact CE1-OD1 3.74Å; H220-D295 IonicContact CE1-OD2 3.78Å; H220-D295 PolarHBondContact CE1-OD2 2.97Å; H220-D295 IonicContact ND1-OD2 2.71Å; H220-D295 PolarHBondContact ND1-OD2 2.94Å
221L87.8Confident86.2Confident12 Ų1253.2 Ų53.26%0.06326%0.255CS..G310 helixtrans-66.4-20.3178.8-70.1179.4000112.9P218 V219 L223 G225 T234 V240 N266 I291P218-L221 HydrophobicContact CB-CD1 3.89Å; P218-L221 HydrophobicContact CB-CG 4.04Å; P218-L221 HydrophobicContact CG-CD1 3.88Å; P218-L221 HydrophobicContact CG-CG 4.48Å; P218-L221 WeakPolarHBondContact O-CB 3.42Å; P218-L221 PolarHBondContact O-N 2.8Å; V219-L221 VanDerWaalsContact C-N 3.29Å; V219-L221 PolarHBondContact O-N 3.16Å; L221-L223 PolarHBondContact O-N 3.39Å; L221-G225 PolarHBondContact O-N 2.74Å; L221-T234 HydrophobicContact CD2-CG2 4.47Å; L221-V240 HydrophobicContact CD1-CG1 4.39Å; L221-V240 HydrophobicContact CD1-CG2 4.15Å; L221-N266 PolarHBondContact O-ND2 3.19Å; L221-I291 HydrophobicContact CB-CD1 3.85Å
222R88.7Confident85.6Confident46 Ų4650.5 Ų50.517%0.17425%0.245CC..G310 helixtrans-64.4-21.9175.2-55.9-168.862.6790.3113V219 H220 G224 W273 S286 L289 I291V219-R222 VanDerWaalsContact O-CB 3.31Å; V219-R222 WeakPolarHBondContact O-CB 3.03Å; V219-R222 WeakPolarHBondContact O-CG 3.43Å; V219-R222 PolarHBondContact O-N 3.44Å; V219-R222 VanDerWaalsContact O-N 3.14Å; H220-R222 PolarHBondContact O-N 3.41Å; R222-G224 VanDerWaalsContact C-N 3.32Å; R222-G224 PolarHBondContact O-N 3.32Å; R222-W273 HydrophobicContact CB-CH2 3.91Å; R222-W273 HydrophobicContact CB-CZ2 4.02Å; R222-W273 HydrophobicContact CG-CH2 3.95Å; R222-W273 WeakPolarHBondContact O-CZ2 2.88Å; R222-S286 PolarHBondContact NH2-O 3.29Å; R222-L289 PolarHBondContact NH1-O 2.87Å; R222-I291 HydrophobicContact CG-CD1 4.04Å
223L84.7Confident84.7Confident144 Ų14453.5 Ų53.575%0.75426%0.264SS*.THydrogen-bonded Turntrans-92.953.9-173.2-57.3179.3000111.9H220 L221H220-L223 PolarHBondContact O-N 3.18Å; H220-L223 VanDerWaalsContact O-N 3.16Å; L221-L223 PolarHBondContact O-N 3.39Å
224G79Confident83.7Confident20 Ų2056 Ų5621%0.20628%0.279CS..THydrogen-bonded Turntrans7522.5-18000000114.7R222 V226 N266R222-G224 VanDerWaalsContact C-N 3.32Å; R222-G224 PolarHBondContact O-N 3.32Å; G224-V226 VanDerWaalsContact C-N 3.34Å; G224-V226 PolarHBondContact O-N 2.93Å; G224-N266 VanDerWaalsContact CA-OD1 3.27Å; G224-N266 WeakPolarHBondContact CA-OD1 3.21Å
225G79.6Confident82.6Confident3 Ų357.5 Ų57.53%0.03129%0.292CS..  trans-79.21.3-174.700000116.5L221 T232 N266L221-G225 PolarHBondContact O-N 2.74Å; G225-T232 WeakPolarHBondContact CA-OG1 3.1Å; G225-T232 PolarHBondContact O-N 3Å; G225-T232 PolarHBondContact O-OG1 3.4Å; G225-N266 PolarHBondContact N-OD1 2.84Å; G225-N266 VanDerWaalsContact N-OD1 3.14Å
226V86.1Confident81.6Confident0 Ų053.2 Ų53.20%029%0.29CS..EExtended strand (participates in β ladder)trans-124.5126.6-175.8-1700000111.8G224 L230 V240 V263 N266G224-V226 VanDerWaalsContact C-N 3.34Å; G224-V226 PolarHBondContact O-N 2.93Å; V226-L230 WeakPolarHBondContact CA-O 3.31Å; V226-V240 HydrophobicContact CG1-CB 4.36Å; V226-V240 HydrophobicContact CG1-CG2 4.44Å; V226-V240 HydrophobicContact CG2-CB 4.03Å; V226-V240 HydrophobicContact CG2-CG1 4.05Å; V226-V240 HydrophobicContact CG2-CG2 3.94Å; V226-V263 HydrophobicContact CB-CG1 4.02Å; V226-V263 HydrophobicContact CG1-CB 4.16Å; V226-V263 HydrophobicContact CG1-CG1 3.89Å; V226-V263 HydrophobicContact CG2-CG1 4.19Å; V226-N266 PolarHBondContact N-OD1 2.77Å; V226-N266 PolarHBondContact O-N 2.7Å; V226-N266 PolarHBondContact O-OD1 3.14Å
227I82.9Confident80.9Confident60 Ų6056 Ų5631%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-136.8136.9177.8-54.4-178.9000108.8G229 L230 T232 I264 K267I227-G229 PolarHBondContact O-N 2.88Å; I227-L230 PolarHBondContact N-O 3.01Å; I227-L230 PolarHBondContact O-N 2.64Å; I227-T232 HydrophobicContact CB-CG2 4.1Å; I227-T232 HydrophobicContact CD1-CG2 4.06Å; I227-T232 HydrophobicContact CG1-CG2 3.94Å; I227-I264 CarbonylContact C-O 2.96Å; I227-K267 HydrophobicContact CD1-CD 3.69Å; I227-K267 HydrophobicContact CG1-CD 4.08Å
228D80.7Confident80.2Confident129 Ų12957.4 Ų57.469%0.6933%0.325SS*.THydrogen-bonded Turntrans51.124-175.4-58.4-40.6000114.4R262 I264D228-R262 PolarHBondContact O-NH2 3.23Å; D228-I264 PolarHBondContact N-O 2.74Å; D228-I264 VanDerWaalsContact N-O 3.13Å
229G80.7Confident79.9Confident0 Ų060.8 Ų60.80%035%0.347CS..THydrogen-bonded Turntrans66.729.8-17400000115.3I227 P239 R262 V263 I264I227-G229 PolarHBondContact O-N 2.88Å; G229-P239 WeakPolarHBondContact O-CA 2.84Å; G229-R262 VanDerWaalsContact CA-NH2 3.31Å; G229-R262 PolarHBondContact O-NE 2.83Å; G229-R262 PolarHBondContact O-NH2 2.69Å; G229-V263 WeakPolarHBondContact CA-O 3.41Å; G229-I264 PolarHBondContact N-O 2.88Å
230L82.6Confident79.7Confident70 Ų7059.5 Ų59.537%0.36634%0.339SS..EExtended strand (participates in β ladder)trans-119.6148.4169.6-63.8175.3000110.3V226 I227 A237 S238V226-L230 WeakPolarHBondContact CA-O 3.31Å; I227-L230 PolarHBondContact N-O 3.01Å; I227-L230 PolarHBondContact O-N 2.64Å; L230-A237 HydrophobicContact CB-CB 4.3Å; L230-A237 HydrophobicContact CD1-CB 4.41Å; L230-S238 CarbonylContact C-O 3.1Å; L230-S238 WeakPolarHBondContact CA-O 2.94Å
231S82.5Confident79.7Confident5 Ų559.1 Ų59.14%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-65.8147.3172.462.40000111.6T234 S236 S238S231-T234 WeakPolarHBondContact CB-OG1 3.13Å; S231-T234 PolarHBondContact OG-OG1 3.38Å; S231-S236 PolarHBondContact OG-O 2.67Å; S231-S238 PolarHBondContact N-O 3.46Å; S231-S238 PolarHBondContact OG-N 3.37Å; S231-S238 PolarHBondContact OG-O 3.31Å; S231-S238 PolarHBondContact OG-OG 3.08Å
232T76.3Confident79.9Confident37 Ų3758.6 Ų58.623%0.22734%0.335CS..SBendtrans-126.4154.617763.10000110.1G225 I227 T234G225-T232 WeakPolarHBondContact CA-OG1 3.1Å; G225-T232 PolarHBondContact O-N 3Å; G225-T232 PolarHBondContact O-OG1 3.4Å; I227-T232 HydrophobicContact CB-CG2 4.1Å; I227-T232 HydrophobicContact CD1-CG2 4.06Å; I227-T232 HydrophobicContact CG1-CG2 3.94Å; T232-T234 PolarHBondContact O-N 3.06Å
233N70.5Confident80.1Confident163 Ų16361.9 Ų61.987%0.87235%0.348SS*.SBendtrans64.95-169.2-43.6-57000115.2
234T69.7Low80.6Confident53 Ų5355.2 Ų55.233%0.32531%0.312SS..SBendtrans-93.2149.5169.155.40000110.9L221 S231 T232 S236L221-T234 HydrophobicContact CD2-CG2 4.47Å; S231-T234 WeakPolarHBondContact CB-OG1 3.13Å; S231-T234 PolarHBondContact OG-OG1 3.38Å; T232-T234 PolarHBondContact O-N 3.06Å; T234-S236 WeakPolarHBondContact CB-O 3.25Å; T234-S236 PolarHBondContact O-N 3.01Å; T234-S236 PolarHBondContact OG1-O 3.37Å
235E65.5Low81.3Confident165 Ų16555.5 Ų55.577%0.77131%0.309SS*.SBendtrans-63.9-27.2-179.5-71.7173.5159.500113.6K300E235-K300 IonicContact OE1-NZ 2.94Å; E235-K300 PolarHBondContact OE1-NZ 3.14Å; E235-K300 IonicContact OE2-NZ 3.66Å; E235-K300 PolarHBondContact OE2-NZ 3.31Å
236S67.3Low81.9Confident93 Ų9355.9 Ų55.965%0.6531%0.311SS*.SBendtrans-121.1134.8168.3-65.50000108.7S231 T234 S238S231-S236 PolarHBondContact OG-O 2.67Å; T234-S236 WeakPolarHBondContact CB-O 3.25Å; T234-S236 PolarHBondContact O-N 3.01Å; T234-S236 PolarHBondContact OG1-O 3.37Å; S236-S238 PolarHBondContact O-N 3.49Å
237A75.8Confident82.2Confident67 Ų6759 Ų5955%0.55433%0.333SS*.  trans-82.2110.8174.400000109.1L230L230-A237 HydrophobicContact CB-CB 4.3Å; L230-A237 HydrophobicContact CD1-CB 4.41Å
238S76.2Confident82.6Confident45 Ų4557 Ų5732%0.31532%0.323SS..  trans-115.6150.7-177.258.80000111.3L230 S231 S236 V240L230-S238 CarbonylContact C-O 3.1Å; L230-S238 WeakPolarHBondContact CA-O 2.94Å; S231-S238 PolarHBondContact N-O 3.46Å; S231-S238 PolarHBondContact OG-N 3.37Å; S231-S238 PolarHBondContact OG-O 3.31Å; S231-S238 PolarHBondContact OG-OG 3.08Å; S236-S238 PolarHBondContact O-N 3.49Å; S238-V240 PolarHBondContact O-N 3.24Å
239P82.6Confident82.9Confident75 Ų7556.4 Ų56.449%0.48732%0.324SS..BIsolated β-bridgetrans-62.1136.4171.228-34.2000110.2G229G229-P239 WeakPolarHBondContact O-CA 2.84Å
240V86.2Confident83.1Confident2 Ų257.4 Ų57.41%0.01233%0.334CS..  trans-105.3117.9-177.8-179.60000109.9L221 V226 S238 V263 I291L221-V240 HydrophobicContact CD1-CG1 4.39Å; L221-V240 HydrophobicContact CD1-CG2 4.15Å; V226-V240 HydrophobicContact CG1-CB 4.36Å; V226-V240 HydrophobicContact CG1-CG2 4.44Å; V226-V240 HydrophobicContact CG2-CB 4.03Å; V226-V240 HydrophobicContact CG2-CG1 4.05Å; V226-V240 HydrophobicContact CG2-CG2 3.94Å; S238-V240 PolarHBondContact O-N 3.24Å; V240-V263 HydrophobicContact CG1-CG2 4.48Å; V240-V263 PolarHBondContact O-N 3.08Å; V240-I291 HydrophobicContact CG1-CD1 4.33Å; V240-I291 HydrophobicContact CG1-CG1 4.45Å; V240-I291 HydrophobicContact CG1-CG2 3.79Å
241M89.2Confident83Confident53 Ų5360 Ų6026%0.26136%0.355SS..EExtended strand (participates in β ladder)trans-97.2142.3179.7-59.3-52.2-63.300110.9E260 R262 S292 D293M241-E260 HydrophobicContact CB-CG 4.17Å; M241-E260 HydrophobicContact CE-CG 3.8Å; M241-R262 HydrophobicContact CE-CB 4.04Å; M241-R262 HydrophobicContact SD-CB 3.8Å; M241-R262 HydrophobicContact SD-CG 4.09Å; M241-S292 PolarHBondContact O-N 3.16Å; M241-S292 VanDerWaalsContact O-N 3.08Å; M241-D293 PolarHBondContact N-OD2 2.96Å
242A91.5Very high82.8Confident0 Ų066.4 Ų66.40%039%0.389CS..EExtended strand (participates in β ladder)trans-133.6139.817800000112E260 V261 V263 L289 W290A242-E260 WeakPolarHBondContact O-CA 3.32Å; A242-V261 PolarHBondContact N-O 3.02Å; A242-V261 WeakPolarHBondContact O-CG2 3.13Å; A242-V261 PolarHBondContact O-N 2.97Å; A242-V263 HydrophobicContact CB-CG2 3.52Å; A242-L289 HydrophobicContact CB-CB 4.37Å; A242-L289 HydrophobicContact CB-CD2 4.19Å; A242-W290 CarbonylContact C-O 3.51Å; A242-W290 WeakPolarHBondContact CA-O 3.4Å; A242-W290 VanDerWaalsContact CB-O 3.23Å; A242-W290 WeakPolarHBondContact CB-O 3.48Å
243R92.7Very high83.3Confident116 Ų11666.3 Ų66.344%0.43839%0.385SS..EExtended strand (participates in β ladder)trans-101.8134.9-179-160.1178.4-168.989.25.6111.2L245 G258 E259 W290R243-L245 PolarHBondContact O-N 3.16Å; R243-G258 PolarHBondContact NE-O 3.3Å; R243-G258 PolarHBondContact NH2-O 3.26Å; R243-E259 WeakPolarHBondContact CA-O 3.29Å; R243-W290 PolarHBondContact N-O 3Å; R243-W290 PolarHBondContact O-N 2.94Å
244M94.2Very high84.1Confident3 Ų364.2 Ų64.22%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-67.2123.8173.9-71.8-57.4-49.600111.3T246 L248 L255 K256 G258 E259 I284 C288 L289M244-T246 VanDerWaalsContact CE-O 3.23Å; M244-T246 WeakPolarHBondContact CE-O 3.47Å; M244-L248 HydrophobicContact CE-CB 4.33Å; M244-L248 HydrophobicContact CE-CD1 3.73Å; M244-L248 HydrophobicContact CE-CG 3.9Å; M244-L255 HydrophobicContact CG-CB 4.32Å; M244-L255 HydrophobicContact SD-CD1 4.32Å; M244-K256 WeakPolarHBondContact CB-O 3.1Å; M244-G258 PolarHBondContact O-N 3.05Å; M244-E259 HydrophobicContact CG-CB 4.34Å; M244-E259 PolarHBondContact N-O 3.49Å; M244-I284 HydrophobicContact CE-CG2 4.49Å; M244-I284 HydrophobicContact SD-CD1 4.3Å; M244-C288 HydrophobicContact CE-CB 4.12Å; M244-L289 HydrophobicContact SD-CD2 3.51Å; M244-L289 VanDerWaalsContact SD-CD2 3.51Å; M244-L289 HydrophobicContact SD-CG 4.46Å
245L94.2Very high85.1Confident27 Ų2761.9 Ų61.914%0.14136%0.355CS..SBendtrans-91-6.4178.3-68.9178.4000114.4L138 R243 C288 W290L138-L245 HydrophobicContact CD1-CB 4.01Å; L138-L245 HydrophobicContact CD2-CB 4.01Å; L138-L245 WeakPolarHBondContact CD2-O 3.25Å; R243-L245 PolarHBondContact O-N 3.16Å; L245-C288 PolarHBondContact N-O 3.46Å; L245-W290 HydrophobicContact CD1-CB 4.05Å; L245-W290 HydrophobicContact CD2-CB 3.78Å; L245-W290 HydrophobicContact CD2-CE3 4.1Å; L245-W290 HydrophobicContact CD2-CG 4.5Å; L245-W290 HydrophobicContact CG-CB 3.87Å
246T93.1Very high86.4Confident11 Ų1160 Ų607%0.06735%0.345CS..SBendtrans-155.2161.8171.3-169.80000108.4L138 M244 L248 C288L138-T246 HydrophobicContact CD1-CG2 3.86Å; M244-T246 VanDerWaalsContact CE-O 3.23Å; M244-T246 WeakPolarHBondContact CE-O 3.47Å; T246-L248 HydrophobicContact CG2-CD2 3.99Å; T246-L248 HydrophobicContact CG2-CG 4.16Å; T246-C288 HydrophobicContact CG2-CB 4.29Å
247S92.5Very high87.6Confident66 Ų6661 Ų6146%0.46234%0.339SS..  trans-77.4136.5172.8-55.20000110.2L255 E257S247-L255 CarbonylContact C-O 3.57Å; S247-L255 VanDerWaalsContact CA-O 3.27Å; S247-L255 WeakPolarHBondContact CA-O 3.31Å; S247-E257 PolarHBondContact OG-N 2.83Å
248L90.6Very high88.2Confident17 Ų1759 Ų599%0.08933%0.325CS..EExtended strand (participates in β ladder)trans-131.4129.9178.6-68.7-177.3000111.4Y131 M244 T246 Y253 L255 I284 C288Y131-L248 HydrophobicContact CE2-CD2 3.91Å; M244-L248 HydrophobicContact CE-CB 4.33Å; M244-L248 HydrophobicContact CE-CD1 3.73Å; M244-L248 HydrophobicContact CE-CG 3.9Å; T246-L248 HydrophobicContact CG2-CD2 3.99Å; T246-L248 HydrophobicContact CG2-CG 4.16Å; L248-Y253 HydrophobicContact CB-CE2 4.43Å; L248-L255 PolarHBondContact N-O 3.09Å; L248-L255 PolarHBondContact O-N 3.11Å; L248-I284 HydrophobicContact CD1-CG2 3.62Å; L248-C288 HydrophobicContact CD1-CB 3.88Å
249T87.4Confident88.9Confident116 Ų11659 Ų5971%0.71232%0.319SS*.EExtended strand (participates in β ladder)trans-111.2111.3171.4-46.30000108.9Y253T249-Y253 CarbonylContact C-O 3.45Å
250G84.7Confident89.3Confident21 Ų2159.7 Ų59.722%0.21632%0.316CS..  trans-95.7-172.5171.300000112.3N252 Y253G250-N252 VanDerWaalsContact C-N 3.33Å; G250-N252 PolarHBondContact O-N 3.02Å; G250-Y253 PolarHBondContact N-O 3.13Å
251P80Confident89.5Confident125 Ų12559.7 Ų59.781%0.81232%0.317SS*.SBendtrans-67-32.8-179.226.4-34.2000113.4
252N79.5Confident89.5Confident139 Ų13960.4 Ų60.474%0.74332%0.316SS*.SBendtrans-123.97.6-174-61.4-6.7000112.8G250G250-N252 VanDerWaalsContact C-N 3.33Å; G250-N252 PolarHBondContact O-N 3.02Å
253Y85.6Confident89.5Confident36 Ų3660.4 Ų60.414%0.14132%0.316CS..  trans-148.7147.8-17366.1-93.6000112.3L248 T249 G250 L255 V282 K283 I284L248-Y253 HydrophobicContact CB-CE2 4.43Å; T249-Y253 CarbonylContact C-O 3.45Å; G250-Y253 PolarHBondContact N-O 3.13Å; Y253-L255 HydrophobicContact CD2-CD1 3.8Å; Y253-L255 HydrophobicContact CD2-CG 4.04Å; Y253-L255 HydrophobicContact CE2-CD1 4.1Å; Y253-V282 HydrophobicContact CD1-CB 4.36Å; Y253-V282 HydrophobicContact CD1-CG1 3.3Å; Y253-V282 HydrophobicContact CD1-CG2 4.05Å; Y253-V282 HydrophobicContact CD2-CG1 4.22Å; Y253-V282 HydrophobicContact CE1-CG1 3.17Å; Y253-V282 HydrophobicContact CE2-CG1 4.14Å; Y253-V282 HydrophobicContact CG-CG1 3.81Å; Y253-V282 HydrophobicContact CG-CG2 4.33Å; Y253-K283 PolarHBondContact OH-O 2.93Å; Y253-K283 VanDerWaalsContact OH-O 3.09Å; Y253-I284 HydrophobicContact CE2-CG1 4.5Å
254E88.1Confident89.3Confident118 Ų11856 Ų5655%0.55130%0.301SS*.EExtended strand (participates in β ladder)trans-130.6121.8168.4-174.2-169.5140.300106.3
255L91.4Very high89.1Confident4 Ų456.6 Ų56.62%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-126.1137-177.3-69168.2000109.5M244 S247 L248 Y253 E259 V261 T277 I284M244-L255 HydrophobicContact CG-CB 4.32Å; M244-L255 HydrophobicContact SD-CD1 4.32Å; S247-L255 CarbonylContact C-O 3.57Å; S247-L255 VanDerWaalsContact CA-O 3.27Å; S247-L255 WeakPolarHBondContact CA-O 3.31Å; L248-L255 PolarHBondContact N-O 3.09Å; L248-L255 PolarHBondContact O-N 3.11Å; Y253-L255 HydrophobicContact CD2-CD1 3.8Å; Y253-L255 HydrophobicContact CD2-CG 4.04Å; Y253-L255 HydrophobicContact CE2-CD1 4.1Å; L255-E259 WeakPolarHBondContact CA-OE2 3.47Å; L255-V261 HydrophobicContact CD2-CG1 4.13Å; L255-T277 HydrophobicContact CD1-CG2 3.94Å; L255-T277 HydrophobicContact CD2-CG2 3.94Å; L255-T277 HydrophobicContact CG-CG2 4.45Å; L255-I284 HydrophobicContact CD1-CD1 3.26Å; L255-I284 HydrophobicContact CD1-CG1 4.42Å
256K91.4Very high88.9Confident126 Ų12655.6 Ų55.655%0.54830%0.3SS..  trans-98.8149.9-172.4-69170.4-176.6168.80111.7M244 G258 E259M244-K256 WeakPolarHBondContact CB-O 3.1Å; K256-G258 PolarHBondContact O-N 2.94Å; K256-E259 HydrophobicContact CB-CB 4.44Å; K256-E259 PolarHBondContact N-OE2 3.28Å; K256-E259 WeakPolarHBondContact O-CB 3.17Å; K256-E259 PolarHBondContact O-N 2.69Å
257E92.4Very high88.5Confident115 Ų11561.6 Ų61.654%0.53733%0.326SS..THydrogen-bonded Turntrans-56.5128.2169.6-172.5170.6168.800109.7S247 E259S247-E257 PolarHBondContact OG-N 2.83Å; E257-E259 VanDerWaalsContact C-N 3.35Å
258G89Confident88Confident24 Ų2464.3 Ų64.325%0.24734%0.335CS..THydrogen-bonded Turntrans82.4-1.8-173.600000116.1R243 M244 K256R243-G258 PolarHBondContact NE-O 3.3Å; R243-G258 PolarHBondContact NH2-O 3.26Å; M244-G258 PolarHBondContact O-N 3.05Å; K256-G258 PolarHBondContact O-N 2.94Å
259E91.2Very high87.4Confident44 Ų4465.9 Ų65.921%0.20634%0.343CS..  trans-68144.3169.6-170.2168.9175.800110.5R243 M244 L255 K256 E257 N278R243-E259 WeakPolarHBondContact CA-O 3.29Å; M244-E259 HydrophobicContact CG-CB 4.34Å; M244-E259 PolarHBondContact N-O 3.49Å; L255-E259 WeakPolarHBondContact CA-OE2 3.47Å; K256-E259 HydrophobicContact CB-CB 4.44Å; K256-E259 PolarHBondContact N-OE2 3.28Å; K256-E259 WeakPolarHBondContact O-CB 3.17Å; K256-E259 PolarHBondContact O-N 2.69Å; E257-E259 VanDerWaalsContact C-N 3.35Å; E259-N278 PolarHBondContact OE1-ND2 2.91Å; E259-N278 VanDerWaalsContact OE1-ND2 3.11Å
260E90.2Very high87.2Confident90 Ų9067.5 Ų67.542%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-110.3129.2-177.3-174.7152.6-113.200110.4M241 A242 S292M241-E260 HydrophobicContact CB-CG 4.17Å; M241-E260 HydrophobicContact CE-CG 3.8Å; A242-E260 WeakPolarHBondContact O-CA 3.32Å; E260-S292 VanDerWaalsContact OE1-CB 3.28Å; E260-S292 WeakPolarHBondContact OE1-CB 3.38Å; E260-S292 PolarHBondContact OE1-OG 3.32Å
261V90.5Very high87.3Confident3 Ų372.7 Ų72.72%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-130142.6-173.9-65.30000109.7A242 L255 V275 T277 L289A242-V261 PolarHBondContact N-O 3.02Å; A242-V261 WeakPolarHBondContact O-CG2 3.13Å; A242-V261 PolarHBondContact O-N 2.97Å; L255-V261 HydrophobicContact CD2-CG1 4.13Å; V261-V275 HydrophobicContact CB-CB 4.25Å; V261-V275 HydrophobicContact CB-CG2 4.2Å; V261-V275 HydrophobicContact CG2-CB 4.07Å; V261-V275 HydrophobicContact CG2-CG1 4.13Å; V261-V275 HydrophobicContact CG2-CG2 4.09Å; V261-T277 HydrophobicContact CG1-CG2 4.36Å; V261-L289 HydrophobicContact CG2-CD2 3.72Å
262R89.8Confident87.8Confident67 Ų6771.3 Ų71.325%0.25334%0.343SS..EExtended strand (participates in β ladder)trans-79.9124.1176.6179.6174.8173-115.7-2.9109.2D228 G229 M241 I264 V275 Q276D228-R262 PolarHBondContact O-NH2 3.23Å; G229-R262 VanDerWaalsContact CA-NH2 3.31Å; G229-R262 PolarHBondContact O-NE 2.83Å; G229-R262 PolarHBondContact O-NH2 2.69Å; M241-R262 HydrophobicContact CE-CB 4.04Å; M241-R262 HydrophobicContact SD-CB 3.8Å; M241-R262 HydrophobicContact SD-CG 4.09Å; R262-I264 HydrophobicContact CG-CD1 4.25Å; R262-V275 CarbonylContact O-C 3.35Å; R262-V275 VanDerWaalsContact O-CA 3.29Å; R262-V275 WeakPolarHBondContact O-CA 3.23Å; R262-V275 WeakPolarHBondContact O-CB 3.39Å; R262-Q276 HydrophobicContact CB-CB 4.37Å; R262-Q276 PolarHBondContact N-O 2.9Å; R262-Q276 PolarHBondContact O-N 2.87Å
263V91.2Very high88.4Confident0 Ų065 Ų650%031%0.308CS..EExtended strand (participates in β ladder)trans-69.1136171.8-174.50000108.2V226 G229 V240 A242 N266V226-V263 HydrophobicContact CB-CG1 4.02Å; V226-V263 HydrophobicContact CG1-CB 4.16Å; V226-V263 HydrophobicContact CG1-CG1 3.89Å; V226-V263 HydrophobicContact CG2-CG1 4.19Å; G229-V263 WeakPolarHBondContact CA-O 3.41Å; V240-V263 HydrophobicContact CG1-CG2 4.48Å; V240-V263 PolarHBondContact O-N 3.08Å; A242-V263 HydrophobicContact CB-CG2 3.52Å; V263-N266 HydrophobicContact CG1-CB 4.4Å
264I89Confident88.8Confident25 Ų2564.3 Ų64.313%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-109.3-46.1178.7-60.2-60.2000111I227 D228 G229 R262 T274 Q276I227-I264 CarbonylContact C-O 2.96Å; D228-I264 PolarHBondContact N-O 2.74Å; D228-I264 VanDerWaalsContact N-O 3.13Å; G229-I264 PolarHBondContact N-O 2.88Å; R262-I264 HydrophobicContact CG-CD1 4.25Å; I264-T274 WeakPolarHBondContact CA-O 3Å; I264-T274 HydrophobicContact CB-CG2 4.39Å; I264-T274 WeakPolarHBondContact CB-O 3.12Å; I264-T274 PolarHBondContact N-O 3.43Å; I264-Q276 HydrophobicContact CD1-CB 3.84Å; I264-Q276 HydrophobicContact CG1-CB 3.81Å
265S88.9Confident88.9Confident15 Ų1558.7 Ų58.711%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-147.9135.9170.5173.80000110.4K267 D268 T274S265-K267 PolarHBondContact OG-N 3.5Å; S265-D268 VanDerWaalsContact CB-OD2 3.29Å; S265-D268 WeakPolarHBondContact CB-OD2 3.47Å; S265-D268 PolarHBondContact OG-OD2 3.35Å; S265-T274 PolarHBondContact N-O 2.85Å; S265-T274 VanDerWaalsContact N-O 3.11Å; S265-T274 PolarHBondContact O-N 3.05Å
266N89.9Confident88.8Confident5 Ų562.6 Ų62.63%0.02730%0.3CS..SBendtrans-123.216.2166.669.5-5.2000113L221 G224 G225 V226 V263 W273L221-N266 PolarHBondContact O-ND2 3.19Å; G224-N266 VanDerWaalsContact CA-OD1 3.27Å; G224-N266 WeakPolarHBondContact CA-OD1 3.21Å; G225-N266 PolarHBondContact N-OD1 2.84Å; G225-N266 VanDerWaalsContact N-OD1 3.14Å; V226-N266 PolarHBondContact N-OD1 2.77Å; V226-N266 PolarHBondContact O-N 2.7Å; V226-N266 PolarHBondContact O-OD1 3.14Å; V263-N266 HydrophobicContact CG1-CB 4.4Å; N266-W273 HydrophobicContact CB-CB 4.41Å; N266-W273 HydrophobicContact CB-CD2 3.58Å; N266-W273 HydrophobicContact CB-CE3 4.23Å; N266-W273 HydrophobicContact CB-CG 3.64Å; N266-W273 HydrophobicContact CB-CZ2 4.13Å
267K84.2Confident88.5Confident138 Ų13857.2 Ų57.260%0.628%0.278SS*.SBendtrans-97-27.2-176.1-174170.3-1801730113.7I227 S265I227-K267 HydrophobicContact CD1-CD 3.69Å; I227-K267 HydrophobicContact CG1-CD 4.08Å; S265-K267 PolarHBondContact OG-N 3.5Å
268D82Confident87.9Confident122 Ų12258.2 Ų58.265%0.65229%0.287SS*.SBendtrans-77.2-28.3-174.6-51-62.8000113.5S265S265-D268 VanDerWaalsContact CB-OD2 3.29Å; S265-D268 WeakPolarHBondContact CB-OD2 3.47Å; S265-D268 PolarHBondContact OG-OD2 3.35Å
269D79.9Confident87.2Confident50 Ų5062.7 Ų62.727%0.26731%0.305SS..  trans-155.8128.9-179.1-175.2-11.2000109.8H271 F272D269-H271 WeakPolarHBondContact OD1-CB 3.43Å; D269-H271 IonicContact OD1-CG 3.69Å; D269-H271 PolarHBondContact OD1-N 2.82Å; D269-H271 IonicContact OD1-ND1 3.95Å; D269-H271 PolarHBondContact OD1-ND1 3.25Å; D269-F272 PolarHBondContact OD1-N 3.32Å; D269-F272 WeakPolarHBondContact OD2-CD2 3Å
270Q81.7Confident86.8Confident150 Ų15062.2 Ų62.270%0.70131%0.312SS*.SBendtrans-73.6-27.5179-172175.4-1.200112.5S286Q270-S286 WeakPolarHBondContact O-CB 3.2Å; Q270-S286 PolarHBondContact O-OG 3.41Å
271H86.6Confident86.7Confident130 Ų13063.4 Ų63.460%0.60232%0.32SS*.SBendtrans-85.8-34.4-178.4-52.292000112.1D269 P285 S286D269-H271 WeakPolarHBondContact OD1-CB 3.43Å; D269-H271 IonicContact OD1-CG 3.69Å; D269-H271 PolarHBondContact OD1-N 2.82Å; D269-H271 IonicContact OD1-ND1 3.95Å; D269-H271 PolarHBondContact OD1-ND1 3.25Å; H271-P285 CarbonylContact O-C 3.6Å; H271-P285 VanDerWaalsContact O-CA 3.32Å; H271-P285 WeakPolarHBondContact O-CA 3.39Å; H271-S286 PolarHBondContact O-N 3.04Å; H271-S286 PolarHBondContact O-OG 2.57Å
272F91Very high86.7Confident97 Ų9764.1 Ų64.143%0.42532%0.324SS..EExtended strand (participates in β ladder)trans-127.4109.5-176.4-65.1-84.9000112.4D269 I284 P285D269-F272 PolarHBondContact OD1-N 3.32Å; D269-F272 WeakPolarHBondContact OD2-CD2 3Å; F272-I284 CarbonylContact C-O 3.33Å; F272-I284 WeakPolarHBondContact CA-O 3.4Å; F272-P285 HydrophobicContact CD1-CG 4.24Å; F272-P285 HydrophobicContact CE1-CG 3.9Å
273W93.1Very high86.7Confident5 Ų566.1 Ų66.12%0.01934%0.335CS..EExtended strand (participates in β ladder)trans-87.5148.5175.6-64.5-3.6000111.2R222 N266 K283 I284 S286 L289 I291R222-W273 HydrophobicContact CB-CH2 3.91Å; R222-W273 HydrophobicContact CB-CZ2 4.02Å; R222-W273 HydrophobicContact CG-CH2 3.95Å; R222-W273 WeakPolarHBondContact O-CZ2 2.88Å; N266-W273 HydrophobicContact CB-CB 4.41Å; N266-W273 HydrophobicContact CB-CD2 3.58Å; N266-W273 HydrophobicContact CB-CE3 4.23Å; N266-W273 HydrophobicContact CB-CG 3.64Å; N266-W273 HydrophobicContact CB-CZ2 4.13Å; W273-K283 WeakPolarHBondContact O-CA 3.3Å; W273-I284 PolarHBondContact N-O 2.84Å; W273-I284 PolarHBondContact O-N 3.47Å; W273-S286 VanDerWaalsContact CE2-CB 3.46Å; W273-S286 VanDerWaalsContact NE1-CB 3.28Å; W273-L289 HydrophobicContact CB-CD1 4.22Å; W273-L289 HydrophobicContact CE3-CB 4.28Å; W273-L289 HydrophobicContact CE3-CD1 3.85Å; W273-L289 HydrophobicContact CZ3-CB 4.33Å; W273-I291 HydrophobicContact CH2-CD1 4.32Å; W273-I291 HydrophobicContact CZ3-CD1 4.37Å; W273-I291 HydrophobicContact CZ3-CG1 4.35Å
274T92.2Very high86.7Confident22 Ų2266.1 Ų66.114%0.13534%0.335CS..EExtended strand (participates in β ladder)trans-94.9122.7174.6-52.60000108.6I264 S265 I281 V282 K283I264-T274 WeakPolarHBondContact CA-O 3Å; I264-T274 HydrophobicContact CB-CG2 4.39Å; I264-T274 WeakPolarHBondContact CB-O 3.12Å; I264-T274 PolarHBondContact N-O 3.43Å; S265-T274 PolarHBondContact N-O 2.85Å; S265-T274 VanDerWaalsContact N-O 3.11Å; S265-T274 PolarHBondContact O-N 3.05Å; T274-I281 HydrophobicContact CG2-CG2 3.42Å; T274-I281 VanDerWaalsContact CG2-CG2 3.42Å; T274-V282 WeakPolarHBondContact CA-O 3.42Å; T274-K283 WeakPolarHBondContact OG1-CE 3.32Å
275V92Very high86.9Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-126158.2179.8-51.50000111.3V261 R262 T277 I281 V282 I284 L289V261-V275 HydrophobicContact CB-CB 4.25Å; V261-V275 HydrophobicContact CB-CG2 4.2Å; V261-V275 HydrophobicContact CG2-CB 4.07Å; V261-V275 HydrophobicContact CG2-CG1 4.13Å; V261-V275 HydrophobicContact CG2-CG2 4.09Å; R262-V275 CarbonylContact O-C 3.35Å; R262-V275 VanDerWaalsContact O-CA 3.29Å; R262-V275 WeakPolarHBondContact O-CA 3.23Å; R262-V275 WeakPolarHBondContact O-CB 3.39Å; V275-T277 HydrophobicContact CG2-CG2 3.92Å; V275-I281 WeakPolarHBondContact O-CA 2.98Å; V275-V282 PolarHBondContact N-O 2.97Å; V275-V282 PolarHBondContact O-N 3.48Å; V275-I284 HydrophobicContact CG2-CD1 3.36Å; V275-I284 HydrophobicContact CG2-CG1 3.99Å; V275-L289 HydrophobicContact CG1-CD1 3.78Å
276Q88.8Confident87.1Confident87 Ų8766.2 Ų66.241%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-97.5119.6170.5179.7176.19.100109R262 I264 I281R262-Q276 HydrophobicContact CB-CB 4.37Å; R262-Q276 PolarHBondContact N-O 2.9Å; R262-Q276 PolarHBondContact O-N 2.87Å; I264-Q276 HydrophobicContact CD1-CB 3.84Å; I264-Q276 HydrophobicContact CG1-CB 3.81Å; Q276-I281 HydrophobicContact CB-CG1 4.49Å
277T85.7Confident87.2Confident13 Ų1367.4 Ų67.48%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-107.9169.1176.874.90000110.2L255 V261 V275 N279 G280 V282L255-T277 HydrophobicContact CD1-CG2 3.94Å; L255-T277 HydrophobicContact CD2-CG2 3.94Å; L255-T277 HydrophobicContact CG-CG2 4.45Å; V261-T277 HydrophobicContact CG1-CG2 4.36Å; V275-T277 HydrophobicContact CG2-CG2 3.92Å; T277-N279 PolarHBondContact O-N 2.98Å; T277-N279 VanDerWaalsContact O-N 3.12Å; T277-N279 PolarHBondContact OG1-N 3.01Å; T277-N279 VanDerWaalsContact OG1-N 3.14Å; T277-G280 WeakPolarHBondContact CB-O 3.2Å; T277-G280 PolarHBondContact N-O 3.33Å; T277-G280 PolarHBondContact O-N 3.14Å; T277-G280 PolarHBondContact OG1-N 3.09Å; T277-G280 PolarHBondContact OG1-O 3.15Å; T277-V282 HydrophobicContact CG2-CB 4.01Å; T277-V282 HydrophobicContact CG2-CG2 4Å
278N79.4Confident87.7Confident136 Ų13660.9 Ų60.973%0.72732%0.316SS*.THydrogen-bonded Turntrans-55.7-24.9170.7-63.9-59.7000113.5E259E259-N278 PolarHBondContact OE1-ND2 2.91Å; E259-N278 VanDerWaalsContact OE1-ND2 3.11Å
279N74.6Confident88.2Confident117 Ų11755 Ų5563%0.62629%0.285SS*.THydrogen-bonded Turntrans-999.2179.3-62.6-7.5000113.3T277T277-N279 PolarHBondContact O-N 2.98Å; T277-N279 VanDerWaalsContact O-N 3.12Å; T277-N279 PolarHBondContact OG1-N 3.01Å; T277-N279 VanDerWaalsContact OG1-N 3.14Å
280G81.2Confident88.7Confident34 Ų3456.2 Ų56.235%0.35129%0.286SS..EExtended strand (participates in β ladder)trans109.3-167.6-177.900000114.2T277T277-G280 WeakPolarHBondContact CB-O 3.2Å; T277-G280 PolarHBondContact N-O 3.33Å; T277-G280 PolarHBondContact O-N 3.14Å; T277-G280 PolarHBondContact OG1-N 3.09Å; T277-G280 PolarHBondContact OG1-O 3.15Å
281I88.7Confident89Confident116 Ų11649.2 Ų49.260%0.59525%0.253SS*.EExtended strand (participates in β ladder)trans-85.6131.6-173.9-59.6177000110.7T274 V275 Q276T274-I281 HydrophobicContact CG2-CG2 3.42Å; T274-I281 VanDerWaalsContact CG2-CG2 3.42Å; V275-I281 WeakPolarHBondContact O-CA 2.98Å; Q276-I281 HydrophobicContact CB-CG1 4.49Å
282V90.1Very high88.6Confident18 Ų1844.7 Ų44.711%0.10924%0.236CC..EExtended strand (participates in β ladder)trans-141.6147-165.7170.90000110.8Y253 T274 V275 T277 I284Y253-V282 HydrophobicContact CD1-CB 4.36Å; Y253-V282 HydrophobicContact CD1-CG1 3.3Å; Y253-V282 HydrophobicContact CD1-CG2 4.05Å; Y253-V282 HydrophobicContact CD2-CG1 4.22Å; Y253-V282 HydrophobicContact CE1-CG1 3.17Å; Y253-V282 HydrophobicContact CE2-CG1 4.14Å; Y253-V282 HydrophobicContact CG-CG1 3.81Å; Y253-V282 HydrophobicContact CG-CG2 4.33Å; T274-V282 WeakPolarHBondContact CA-O 3.42Å; V275-V282 PolarHBondContact N-O 2.97Å; V275-V282 PolarHBondContact O-N 3.48Å; T277-V282 HydrophobicContact CG2-CB 4.01Å; T277-V282 HydrophobicContact CG2-CG2 4Å; V282-I284 HydrophobicContact CG1-CD1 4.36Å; V282-I284 HydrophobicContact CG1-CG1 3.83Å
283K91.3Very high88Confident109 Ų10943 Ų4347%0.47423%0.231SC..EExtended strand (participates in β ladder)trans-96134.4167.8-71.2-161.7173.7-160.10112.3Y253 W273 T274Y253-K283 PolarHBondContact OH-O 2.93Å; Y253-K283 VanDerWaalsContact OH-O 3.09Å; W273-K283 WeakPolarHBondContact O-CA 3.3Å; T274-K283 WeakPolarHBondContact OG1-CE 3.32Å
284I90.9Very high87.5Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-137.7142.3-172.5-56.1-173.9000110.4M244 L248 Y253 L255 F272 W273 V275 V282 S286 L289M244-I284 HydrophobicContact CE-CG2 4.49Å; M244-I284 HydrophobicContact SD-CD1 4.3Å; L248-I284 HydrophobicContact CD1-CG2 3.62Å; Y253-I284 HydrophobicContact CE2-CG1 4.5Å; L255-I284 HydrophobicContact CD1-CD1 3.26Å; L255-I284 HydrophobicContact CD1-CG1 4.42Å; F272-I284 CarbonylContact C-O 3.33Å; F272-I284 WeakPolarHBondContact CA-O 3.4Å; W273-I284 PolarHBondContact N-O 2.84Å; W273-I284 PolarHBondContact O-N 3.47Å; V275-I284 HydrophobicContact CG2-CD1 3.36Å; V275-I284 HydrophobicContact CG2-CG1 3.99Å; V282-I284 HydrophobicContact CG1-CD1 4.36Å; V282-I284 HydrophobicContact CG1-CG1 3.83Å; I284-S286 PolarHBondContact O-N 3.49Å; I284-L289 HydrophobicContact CB-CD1 4.44Å; I284-L289 HydrophobicContact CG2-CD1 4.41Å; I284-L289 HydrophobicContact CG2-CG 4.48Å
285P92.9Very high87.2Confident22 Ų2245.1 Ų45.114%0.14325%0.246CC..EExtended strand (participates in β ladder)trans-53.5123.2170.8-2634.6000113.3H271 F272 V287 C288H271-P285 CarbonylContact O-C 3.6Å; H271-P285 VanDerWaalsContact O-CA 3.32Å; H271-P285 WeakPolarHBondContact O-CA 3.39Å; F272-P285 HydrophobicContact CD1-CG 4.24Å; F272-P285 HydrophobicContact CE1-CG 3.9Å; P285-V287 VanDerWaalsContact C-N 3.27Å; P285-V287 HydrophobicContact CB-CG1 4.22Å; P285-V287 PolarHBondContact O-N 3.46Å; P285-C288 WeakPolarHBondContact O-CB 3.32Å; P285-C288 PolarHBondContact O-N 2.65Å
286S92.4Very high86.8Confident19 Ų1951.4 Ų51.413%0.13328%0.279CS..G310 helixtrans-62.7-28.9-173.162.40000114.3R222 Q270 H271 W273 I284 C288 L289R222-S286 PolarHBondContact NH2-O 3.29Å; Q270-S286 WeakPolarHBondContact O-CB 3.2Å; Q270-S286 PolarHBondContact O-OG 3.41Å; H271-S286 PolarHBondContact O-N 3.04Å; H271-S286 PolarHBondContact O-OG 2.57Å; W273-S286 VanDerWaalsContact CE2-CB 3.46Å; W273-S286 VanDerWaalsContact NE1-CB 3.28Å; I284-S286 PolarHBondContact O-N 3.49Å; S286-C288 PolarHBondContact O-N 2.66Å; S286-L289 PolarHBondContact O-N 2.87Å
287V93.4Very high86.6Confident31 Ų3151 Ų5119%0.18828%0.277CS..G310 helixtrans-63.6-22.7173.460.50000112.9L135 L138 H142 P285 L289L135-V287 HydrophobicContact CD1-CG1 4.42Å; L135-V287 HydrophobicContact CD2-CG1 3.86Å; L138-V287 HydrophobicContact CB-CG2 4.1Å; H142-V287 PolarHBondContact NE2-O 3.11Å; P285-V287 VanDerWaalsContact C-N 3.27Å; P285-V287 HydrophobicContact CB-CG1 4.22Å; P285-V287 PolarHBondContact O-N 3.46Å; V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 PolarHBondContact O-N 2.85Å
288C94.2Very high86.7Confident0 Ų050.4 Ų50.40%027%0.273CS..G310 helixtrans-85.1-0.2178.8-62.40000114L138 M244 L245 T246 L248 P285 S286L138-C288 HydrophobicContact CD1-CB 4.37Å; M244-C288 HydrophobicContact CE-CB 4.12Å; L245-C288 PolarHBondContact N-O 3.46Å; T246-C288 HydrophobicContact CG2-CB 4.29Å; L248-C288 HydrophobicContact CD1-CB 3.88Å; P285-C288 WeakPolarHBondContact O-CB 3.32Å; P285-C288 PolarHBondContact O-N 2.65Å; S286-C288 PolarHBondContact O-N 2.66Å
289L93.1Very high87Confident0 Ų045.8 Ų45.80%025%0.25CC..EExtended strand (participates in β ladder)trans-118.8126.2-175.1-68.5168.3000111.6H142 R222 A242 M244 V261 W273 V275 I284 S286 V287H142-L289 PolarHBondContact CE1-O 3.14Å; H142-L289 VanDerWaalsContact CE1-O 3.26Å; R222-L289 PolarHBondContact NH1-O 2.87Å; A242-L289 HydrophobicContact CB-CB 4.37Å; A242-L289 HydrophobicContact CB-CD2 4.19Å; M244-L289 HydrophobicContact SD-CD2 3.51Å; M244-L289 VanDerWaalsContact SD-CD2 3.51Å; M244-L289 HydrophobicContact SD-CG 4.46Å; V261-L289 HydrophobicContact CG2-CD2 3.72Å; W273-L289 HydrophobicContact CB-CD1 4.22Å; W273-L289 HydrophobicContact CE3-CB 4.28Å; W273-L289 HydrophobicContact CE3-CD1 3.85Å; W273-L289 HydrophobicContact CZ3-CB 4.33Å; V275-L289 HydrophobicContact CG1-CD1 3.78Å; I284-L289 HydrophobicContact CB-CD1 4.44Å; I284-L289 HydrophobicContact CG2-CD1 4.41Å; I284-L289 HydrophobicContact CG2-CG 4.48Å; S286-L289 PolarHBondContact O-N 2.87Å; V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 PolarHBondContact O-N 2.85Å
290W89.9Confident87.5Confident75 Ų7543.3 Ų43.328%0.28423%0.233SC..EExtended strand (participates in β ladder)trans-97.6141.4167.2167.5-59.3000108.6V141 N145 V217 A242 R243 L245V141-W290 HydrophobicContact CG1-CE3 3.48Å; V141-W290 VanDerWaalsContact CG1-CE3 3.48Å; V141-W290 HydrophobicContact CG1-CZ3 3.39Å; N145-W290 VanDerWaalsContact ND2-CE3 3.28Å; N145-W290 VanDerWaalsContact ND2-CH2 3.26Å; N145-W290 WeakPolarHBondContact ND2-CH2 3.45Å; N145-W290 WeakPolarHBondContact ND2-CZ3 3.46Å; V217-W290 HydrophobicContact CG2-CZ2 3.66Å; A242-W290 CarbonylContact C-O 3.51Å; A242-W290 WeakPolarHBondContact CA-O 3.4Å; A242-W290 VanDerWaalsContact CB-O 3.23Å; A242-W290 WeakPolarHBondContact CB-O 3.48Å; R243-W290 PolarHBondContact N-O 3Å; R243-W290 PolarHBondContact O-N 2.94Å; L245-W290 HydrophobicContact CD1-CB 4.05Å; L245-W290 HydrophobicContact CD2-CB 3.78Å; L245-W290 HydrophobicContact CD2-CE3 4.1Å; L245-W290 HydrophobicContact CD2-CG 4.5Å; L245-W290 HydrophobicContact CG-CB 3.87Å
291I88.5Confident87.8Confident2 Ų244.8 Ų44.81%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-89.5118.4172.6-64.5175.5000108.2V217 P218 L221 R222 V240 W273V217-I291 WeakPolarHBondContact CG1-O 3.36Å; P218-I291 HydrophobicContact CG-CG2 3.9Å; L221-I291 HydrophobicContact CB-CD1 3.85Å; R222-I291 HydrophobicContact CG-CD1 4.04Å; V240-I291 HydrophobicContact CG1-CD1 4.33Å; V240-I291 HydrophobicContact CG1-CG1 4.45Å; V240-I291 HydrophobicContact CG1-CG2 3.79Å; W273-I291 HydrophobicContact CH2-CD1 4.32Å; W273-I291 HydrophobicContact CZ3-CD1 4.37Å; W273-I291 HydrophobicContact CZ3-CG1 4.35Å
292S77.1Confident87.8Confident35 Ų3539.3 Ų39.325%0.24520%0.2CC..  trans-70.7-37-162.9-59.80000114.1M241 E260M241-S292 PolarHBondContact O-N 3.16Å; M241-S292 VanDerWaalsContact O-N 3.08Å; E260-S292 VanDerWaalsContact OE1-CB 3.28Å; E260-S292 WeakPolarHBondContact OE1-CB 3.38Å; E260-S292 PolarHBondContact OE1-OG 3.32Å
293D78.7Confident87.6Confident62 Ų6241.2 Ų41.233%0.33221%0.212SC..SBendtrans-75.9150.1-161.4-52.4-60.7000112.7P218 M241P218-D293 WeakPolarHBondContact CD-O 3.46Å; M241-D293 PolarHBondContact N-OD2 2.96Å
294P81.8Confident87.5Confident68 Ų6838.7 Ų38.744%0.44220%0.203SC..  trans-65.7144.4170.7-20.833.5000112.6I216 L296I216-P294 CarbonylContact O-C 3.59Å; I216-P294 WeakPolarHBondContact O-CA 3.46Å; P294-L296 PolarHBondContact O-N 3.16Å; P294-L296 VanDerWaalsContact O-N 3.15Å
295D86.7Confident87.6Confident4 Ų438.9 Ų38.92%0.02120%0.204CC..  trans-71.8108.3176-167.6-32.8000110.9Y149 I216 P218 H220 E297 A298 V299Y149-D295 WeakPolarHBondContact CE2-OD2 3.5Å; I216-D295 HydrophobicContact CG2-CB 4.26Å; I216-D295 PolarHBondContact O-N 3.27Å; P218-D295 WeakPolarHBondContact CA-OD2 3.35Å; P218-D295 HydrophobicContact CB-CB 3.92Å; H220-D295 IonicContact CE1-OD1 3.74Å; H220-D295 IonicContact CE1-OD2 3.78Å; H220-D295 PolarHBondContact CE1-OD2 2.97Å; H220-D295 IonicContact ND1-OD2 2.71Å; H220-D295 PolarHBondContact ND1-OD2 2.94Å; D295-E297 VanDerWaalsContact C-N 3.26Å; D295-E297 PolarHBondContact O-N 3.38Å; D295-E297 WeakPolarHBondContact OD1-CB 3.46Å; D295-E297 PolarHBondContact OD1-N 3.1Å; D295-A298 HydrophobicContact CB-CB 3.8Å; D295-A298 WeakPolarHBondContact O-CB 3.49Å; D295-A298 PolarHBondContact O-N 3.45Å; D295-A298 VanDerWaalsContact O-N 3.12Å; D295-A298 PolarHBondContact OD1-N 3.41Å; D295-V299 PolarHBondContact O-N 3.38Å
296L83.1Confident87.4Confident132 Ų13240.1 Ų40.169%0.69121%0.206SC*.Hα-helixtrans-62.5-30.6-179.9-59.8179.7000112.8P294 K300P294-L296 PolarHBondContact O-N 3.16Å; P294-L296 VanDerWaalsContact O-N 3.15Å; L296-K300 WeakPolarHBondContact O-CB 3.49Å; L296-K300 PolarHBondContact O-N 3.3Å
297E84.1Confident87.2Confident79 Ų7944.1 Ų44.137%0.36922%0.222SC..Hα-helixtrans-75.7-32.9175.9-177.859.3-153.200110.6D295 K300 R301D295-E297 VanDerWaalsContact C-N 3.26Å; D295-E297 PolarHBondContact O-N 3.38Å; D295-E297 WeakPolarHBondContact OD1-CB 3.46Å; D295-E297 PolarHBondContact OD1-N 3.1Å; E297-K300 WeakPolarHBondContact OE2-CD 3Å; E297-K300 IonicContact OE2-NZ 2.72Å; E297-K300 PolarHBondContact OE2-NZ 3.43Å; E297-K300 VanDerWaalsContact OE2-NZ 3.14Å; E297-R301 HydrophobicContact CG-CG 4.45Å; E297-R301 WeakPolarHBondContact O-CB 3.48Å; E297-R301 VanDerWaalsContact O-CG 3.28Å; E297-R301 WeakPolarHBondContact O-CG 3.23Å; E297-R301 PolarHBondContact O-N 2.88Å; E297-R301 WeakPolarHBondContact OE1-CD 3.27Å; E297-R301 VanDerWaalsContact OE1-CG 3.23Å; E297-R301 WeakPolarHBondContact OE1-CG 3.03Å
298A89.1Confident87.1Confident0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-61.1-48.217000000111.5F152 I216 D295 R301 S302F152-A298 HydrophobicContact CD1-CB 4.04Å; F152-A298 HydrophobicContact CE1-CB 3.48Å; F152-A298 VanDerWaalsContact CE1-CB 3.48Å; F152-A298 HydrophobicContact CZ-CB 4.11Å; F152-A298 WeakPolarHBondContact CZ-O 3.08Å; I216-A298 HydrophobicContact CB-CB 4.1Å; I216-A298 HydrophobicContact CG2-CB 4.06Å; D295-A298 HydrophobicContact CB-CB 3.8Å; D295-A298 WeakPolarHBondContact O-CB 3.49Å; D295-A298 PolarHBondContact O-N 3.45Å; D295-A298 VanDerWaalsContact O-N 3.12Å; D295-A298 PolarHBondContact OD1-N 3.41Å; A298-R301 PolarHBondContact O-N 2.98Å; A298-S302 PolarHBondContact O-N 3.37Å; A298-S302 VanDerWaalsContact O-N 3.1Å
299V85.3Confident87Confident38 Ų3845.7 Ų45.723%0.2323%0.227CC..Hα-helixtrans-60.2-49.3176.8176.60000111.3S213 D295 R301 S302 V303S213-V299 WeakPolarHBondContact OG-CA 3.26Å; D295-V299 PolarHBondContact O-N 3.38Å; V299-R301 VanDerWaalsContact C-N 3.35Å; V299-R301 PolarHBondContact O-N 3.42Å; V299-S302 PolarHBondContact O-N 3.16Å; V299-S302 VanDerWaalsContact O-N 3.15Å; V299-V303 PolarHBondContact O-N 2.9Å
300K85Confident86.8Confident65 Ų6547 Ų4728%0.28323%0.233SC..Hα-helixtrans-58.4-42.4178.2177.2174.8160.2-156.20112.3E235 L296 E297 S302 V303 I304E235-K300 IonicContact OE1-NZ 2.94Å; E235-K300 PolarHBondContact OE1-NZ 3.14Å; E235-K300 IonicContact OE2-NZ 3.66Å; E235-K300 PolarHBondContact OE2-NZ 3.31Å; L296-K300 WeakPolarHBondContact O-CB 3.49Å; L296-K300 PolarHBondContact O-N 3.3Å; E297-K300 WeakPolarHBondContact OE2-CD 3Å; E297-K300 IonicContact OE2-NZ 2.72Å; E297-K300 PolarHBondContact OE2-NZ 3.43Å; E297-K300 VanDerWaalsContact OE2-NZ 3.14Å; K300-S302 PolarHBondContact O-N 3.43Å; K300-V303 PolarHBondContact O-N 3.25Å; K300-I304 HydrophobicContact CG-CD1 3.89Å; K300-I304 VanDerWaalsContact O-CG1 3.31Å; K300-I304 WeakPolarHBondContact O-CG1 3.25Å; K300-I304 PolarHBondContact O-N 3.46Å
301R87.8Confident86.8Confident66 Ų6649.5 Ų49.525%0.24925%0.249CC..Hα-helixtrans-67.6-32.3176.7-72-168.965.5-179.8-3.1113.2N157 E297 A298 V299 L305N157-R301 PolarHBondContact OD1-NH2 2.84Å; E297-R301 HydrophobicContact CG-CG 4.45Å; E297-R301 WeakPolarHBondContact O-CB 3.48Å; E297-R301 VanDerWaalsContact O-CG 3.28Å; E297-R301 WeakPolarHBondContact O-CG 3.23Å; E297-R301 PolarHBondContact O-N 2.88Å; E297-R301 WeakPolarHBondContact OE1-CD 3.27Å; E297-R301 VanDerWaalsContact OE1-CG 3.23Å; E297-R301 WeakPolarHBondContact OE1-CG 3.03Å; A298-R301 PolarHBondContact O-N 2.98Å; V299-R301 VanDerWaalsContact C-N 3.35Å; V299-R301 PolarHBondContact O-N 3.42Å; R301-L305 WeakPolarHBondContact O-CB 2.95Å; R301-L305 PolarHBondContact O-N 3.3Å
302S89.2Confident86.9Confident0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-69.5-37.6171-840000113.4F152 L209 A298 V299 K300 L305 R306F152-S302 WeakPolarHBondContact CE2-OG 3.23Å; F152-S302 VanDerWaalsContact CZ-OG 3.3Å; F152-S302 WeakPolarHBondContact CZ-OG 3.08Å; L209-S302 PolarHBondContact O-OG 3.34Å; A298-S302 PolarHBondContact O-N 3.37Å; A298-S302 VanDerWaalsContact O-N 3.1Å; V299-S302 PolarHBondContact O-N 3.16Å; V299-S302 VanDerWaalsContact O-N 3.15Å; K300-S302 PolarHBondContact O-N 3.43Å; S302-L305 PolarHBondContact O-N 3.19Å; S302-R306 PolarHBondContact O-N 3.38Å; S302-R306 VanDerWaalsContact O-N 3.15Å
303V86.2Confident87.7Confident58 Ų5848.7 Ų48.735%0.35224%0.243SC..Hα-helixtrans-61.8-50.3172.4174.50000110.2L210 V299 K300 L305 R306 E307L210-V303 HydrophobicContact CD1-CG2 3.78Å; V299-V303 PolarHBondContact O-N 2.9Å; K300-V303 PolarHBondContact O-N 3.25Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 3.17Å; V303-R306 WeakPolarHBondContact O-CA 3.32Å; V303-R306 WeakPolarHBondContact O-CB 3.4Å; V303-R306 PolarHBondContact O-N 3.38Å; V303-E307 PolarHBondContact O-N 3.44Å
304I89Confident88.3Confident56 Ų5647.8 Ų47.829%0.28724%0.238SC..Hα-helixtrans-60.6-37.7178.7-69.3166.5000111.9K300 R306 E307 K308K300-I304 HydrophobicContact CG-CD1 3.89Å; K300-I304 VanDerWaalsContact O-CG1 3.31Å; K300-I304 WeakPolarHBondContact O-CG1 3.25Å; K300-I304 PolarHBondContact O-N 3.46Å; I304-R306 VanDerWaalsContact C-N 3.3Å; I304-R306 PolarHBondContact O-N 3.41Å; I304-E307 PolarHBondContact O-N 2.93Å; I304-K308 HydrophobicContact CG2-CD 4Å; I304-K308 VanDerWaalsContact CG2-CE 3.43Å; I304-K308 HydrophobicContact CG2-CG 4.42Å; I304-K308 WeakPolarHBondContact O-CB 3.41Å; I304-K308 VanDerWaalsContact O-CG 3.22Å; I304-K308 WeakPolarHBondContact O-CG 3.23Å; I304-K308 PolarHBondContact O-N 2.79Å
305L92.4Very high88.8Confident4 Ų448.1 Ų48.12%0.02124%0.236CC..Hα-helixtrans-61.2-39.1173.2172.564000111.8V156 A159 E160 L209 R301 S302 V303 C309V156-L305 HydrophobicContact CG1-CD2 4.34Å; V156-L305 HydrophobicContact CG2-CD2 4.34Å; A159-L305 HydrophobicContact CB-CD1 3.98Å; A159-L305 HydrophobicContact CB-CD2 3.95Å; E160-L305 HydrophobicContact CG-CD1 3.76Å; L209-L305 HydrophobicContact CB-CD2 4.5Å; L209-L305 HydrophobicContact CD1-CD2 3.56Å; R301-L305 WeakPolarHBondContact O-CB 2.95Å; R301-L305 PolarHBondContact O-N 3.3Å; S302-L305 PolarHBondContact O-N 3.19Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 3.17Å; L305-C309 WeakPolarHBondContact O-CB 3.25Å; L305-C309 PolarHBondContact O-N 3.34Å
306R89.2Confident89.1Confident48 Ų4848 Ų4818%0.18124%0.235CC..Hα-helixtrans-72.8-37.4-179.4-167.2166.7-177.576.1-7.8112.2W203 S206 S302 V303 I304 C309 I310W203-R306 HydrophobicContact CE3-CG 4.19Å; W203-R306 HydrophobicContact CH2-CG 3.94Å; W203-R306 VanDerWaalsContact CH2-CZ 3.43Å; W203-R306 HydrophobicContact CZ3-CG 3.49Å; W203-R306 VanDerWaalsContact CZ3-CG 3.49Å; W203-R306 PolarHBondContact O-NH1 3.42Å; S206-R306 PolarHBondContact OG-NH1 3.22Å; S302-R306 PolarHBondContact O-N 3.38Å; S302-R306 VanDerWaalsContact O-N 3.15Å; V303-R306 WeakPolarHBondContact O-CA 3.32Å; V303-R306 WeakPolarHBondContact O-CB 3.4Å; V303-R306 PolarHBondContact O-N 3.38Å; I304-R306 VanDerWaalsContact C-N 3.3Å; I304-R306 PolarHBondContact O-N 3.41Å; R306-C309 WeakPolarHBondContact O-CB 3.09Å; R306-C309 PolarHBondContact O-N 3.34Å; R306-I310 PolarHBondContact O-N 3.11Å
307E87.9Confident89.5Confident104 Ų10441.9 Ų41.949%0.48620%0.203SC..Hα-helixtrans-62.8-53.6171.2-68171.4152.800110.9V303 I304 C309 I310 E311V303-E307 PolarHBondContact O-N 3.44Å; I304-E307 PolarHBondContact O-N 2.93Å; E307-C309 PolarHBondContact O-N 2.99Å; E307-C309 VanDerWaalsContact O-N 3.1Å; E307-I310 PolarHBondContact O-N 3.29Å; E307-E311 PolarHBondContact O-N 3Å; E307-E311 VanDerWaalsContact O-N 3.08Å
308K90.6Very high89.7Confident60 Ų6041.9 Ų41.926%0.26120%0.203SC..Hα-helixtrans-52.1-34.9173.6-74.5170.1-179.1174.20112.6E160 L163 I304 S312E160-K308 HydrophobicContact CG-CD 4.38Å; E160-K308 IonicContact OE1-NZ 2.66Å; E160-K308 PolarHBondContact OE1-NZ 2.69Å; E160-K308 IonicContact OE2-NZ 2.78Å; E160-K308 PolarHBondContact OE2-NZ 3.1Å; L163-K308 HydrophobicContact CD2-CB 4.1Å; I304-K308 HydrophobicContact CG2-CD 4Å; I304-K308 VanDerWaalsContact CG2-CE 3.43Å; I304-K308 HydrophobicContact CG2-CG 4.42Å; I304-K308 WeakPolarHBondContact O-CB 3.41Å; I304-K308 VanDerWaalsContact O-CG 3.22Å; I304-K308 WeakPolarHBondContact O-CG 3.23Å; I304-K308 PolarHBondContact O-N 2.79Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.15Å; K308-S312 PolarHBondContact O-OG 2.89Å
309C91.5Very high89.8Confident3 Ų345 Ų452%0.0222%0.215CC..Hα-helixtrans-64.6-39.9178.1-167.10000112.2L163 W203 L305 R306 E307 W313L163-C309 HydrophobicContact CD2-CB 4.49Å; W203-C309 HydrophobicContact CE3-CB 4.31Å; L305-C309 WeakPolarHBondContact O-CB 3.25Å; L305-C309 PolarHBondContact O-N 3.34Å; R306-C309 WeakPolarHBondContact O-CB 3.09Å; R306-C309 PolarHBondContact O-N 3.34Å; E307-C309 PolarHBondContact O-N 2.99Å; E307-C309 VanDerWaalsContact O-N 3.1Å; C309-W313 WeakPolarHBondContact O-CB 3.09Å; C309-W313 PolarHBondContact O-N 3.23Å; C309-W313 VanDerWaalsContact O-N 3.11Å
310I89.2Confident90Very high27 Ų2743.6 Ų43.614%0.13821%0.207CC..Hα-helixtrans-68.3-51.4174.8-58.7172000109.8W203 R306 E307 S312 W313 D314 M420W203-I310 HydrophobicContact CH2-CD1 4.05Å; W203-I310 HydrophobicContact CH2-CG1 4.17Å; W203-I310 HydrophobicContact CZ3-CD1 3.98Å; W203-I310 HydrophobicContact CZ3-CG1 3.67Å; R306-I310 PolarHBondContact O-N 3.11Å; E307-I310 PolarHBondContact O-N 3.29Å; I310-S312 VanDerWaalsContact C-N 3.27Å; I310-S312 PolarHBondContact O-N 3.04Å; I310-W313 WeakPolarHBondContact O-CA 3.07Å; I310-W313 WeakPolarHBondContact O-CB 3.08Å; I310-W313 PolarHBondContact O-N 3.04Å; I310-D314 PolarHBondContact O-N 3.26Å; I310-M420 HydrophobicContact CG2-CE 4.08Å
311E89.7Confident90.3Very high129 Ų12942 Ų4260%0.60320%0.199SC*.Hα-helixtrans-55-43178.8-63.7177.7150.800112.3E307 W313 D314 L315E307-E311 PolarHBondContact O-N 3Å; E307-E311 VanDerWaalsContact O-N 3.08Å; E311-W313 VanDerWaalsContact C-N 3.33Å; E311-D314 PolarHBondContact O-N 3.26Å; E311-L315 WeakPolarHBondContact O-CB 3.41Å; E311-L315 PolarHBondContact O-N 3.31Å
312S91.7Very high90.3Very high19 Ų1940.5 Ų40.513%0.13320%0.195CC..Hα-helixtrans-69.2-30.8178.4-64.10000112.7L163 K308 I310 L316L163-S312 WeakPolarHBondContact CD2-OG 3.06Å; L163-S312 WeakPolarHBondContact CG-OG 3.4Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.15Å; K308-S312 PolarHBondContact O-OG 2.89Å; I310-S312 VanDerWaalsContact C-N 3.27Å; I310-S312 PolarHBondContact O-N 3.04Å; S312-L316 WeakPolarHBondContact O-CB 3.47Å; S312-L316 PolarHBondContact O-N 3.21Å; S312-L316 VanDerWaalsContact O-N 3.08Å
313W93.8Very high90.3Very high1 Ų143.1 Ų43.10%0.00421%0.205CC..Hα-helixtrans-75-44.4175.2-160.9-40.3000110.8L196 M199 I200 W203 C309 I310 E311 L315 L316 V317 H416 Q419 M420 L423L196-W313 HydrophobicContact CD1-CZ2 3.83Å; M199-W313 VanDerWaalsContact C-CZ3 3.46Å; M199-W313 HydrophobicContact CB-CD2 3.75Å; M199-W313 HydrophobicContact CB-CE3 3.63Å; M199-W313 HydrophobicContact CB-CG 4.43Å; M199-W313 HydrophobicContact CB-CH2 4.05Å; M199-W313 HydrophobicContact CB-CZ2 4.17Å; M199-W313 HydrophobicContact CB-CZ3 3.78Å; M199-W313 HydrophobicContact CE-CB 3.66Å; M199-W313 HydrophobicContact CE-CD2 4.2Å; M199-W313 HydrophobicContact CE-CE3 4.12Å; M199-W313 HydrophobicContact CE-CG 4.03Å; M199-W313 HydrophobicContact CG-CD2 4.4Å; M199-W313 WeakPolarHBondContact O-CZ3 3.47Å; I200-W313 HydrophobicContact CB-CH2 4.5Å; I200-W313 HydrophobicContact CG1-CH2 3.68Å; I200-W313 HydrophobicContact CG1-CZ2 4.37Å; W203-W313 HydrophobicContact CB-CZ3 4.05Å; C309-W313 WeakPolarHBondContact O-CB 3.09Å; C309-W313 PolarHBondContact O-N 3.23Å; C309-W313 VanDerWaalsContact O-N 3.11Å; I310-W313 WeakPolarHBondContact O-CA 3.07Å; I310-W313 WeakPolarHBondContact O-CB 3.08Å; I310-W313 PolarHBondContact O-N 3.04Å; E311-W313 VanDerWaalsContact C-N 3.33Å; W313-L315 PolarHBondContact O-N 2.81Å; W313-L316 WeakPolarHBondContact O-CB 3.4Å; W313-L316 PolarHBondContact O-N 3.17Å; W313-V317 WeakPolarHBondContact O-CG2 3.49Å; W313-V317 PolarHBondContact O-N 3.27Å; W313-H416 AromaticContact CE2-ND1 3.98Å; W313-H416 AromaticContact NE1-CG 4Å; W313-H416 AromaticContact NE1-ND1 3.25Å; W313-H416 PolarHBondContact NE1-ND1 3.29Å; W313-Q419 HydrophobicContact CH2-CB 4.45Å; W313-Q419 HydrophobicContact CH2-CG 3.54Å; W313-Q419 HydrophobicContact CZ2-CB 4.01Å; W313-Q419 HydrophobicContact CZ2-CG 3.59Å; W313-M420 HydrophobicContact CB-CE 3.74Å; W313-M420 HydrophobicContact CB-SD 4.02Å; W313-M420 HydrophobicContact CD2-CG 4.27Å; W313-M420 HydrophobicContact CG-CE 3.96Å; W313-M420 HydrophobicContact CG-CG 3.95Å; W313-M420 HydrophobicContact CG-SD 3.75Å; W313-L423 HydrophobicContact CE3-CD1 3.83Å; W313-L423 HydrophobicContact CH2-CD1 4.15Å; W313-L423 HydrophobicContact CZ3-CD1 3.56Å
314D91.1Very high90.5Very high43 Ų4340.5 Ų40.523%0.2319%0.189CC..Hα-helixtrans-57.2-50.6174.2-84.7-50.5000110.4I310 E311 L316 V317 E318 M420 R424I310-D314 PolarHBondContact O-N 3.26Å; E311-D314 PolarHBondContact O-N 3.26Å; D314-L316 VanDerWaalsContact C-N 3.29Å; D314-L316 PolarHBondContact O-N 2.78Å; D314-V317 PolarHBondContact O-N 3.22Å; D314-V317 VanDerWaalsContact O-N 3.1Å; D314-E318 PolarHBondContact O-N 3.15Å; D314-M420 HydrophobicContact CB-CE 4.14Å; D314-M420 HydrophobicContact CB-SD 4.5Å; D314-M420 VanDerWaalsContact OD1-CE 3.25Å; D314-M420 WeakPolarHBondContact OD1-CE 3.04Å; D314-M420 WeakPolarHBondContact OD2-CE 3.23Å; D314-R424 VanDerWaalsContact CG-NH1 3.3Å; D314-R424 IonicContact OD1-CZ 3.14Å; D314-R424 IonicContact OD1-NH1 2.9Å; D314-R424 PolarHBondContact OD1-NH1 3.42Å; D314-R424 IonicContact OD1-NH2 3.22Å; D314-R424 PolarHBondContact OD1-NH2 3.02Å; D314-R424 IonicContact OD2-CZ 2.91Å; D314-R424 IonicContact OD2-NH1 3.76Å; D314-R424 PolarHBondContact OD2-NH1 2.86Å; D314-R424 IonicContact OD2-NH2 2.76Å
315L91.5Very high90.5Very high75 Ų7538.2 Ų38.239%0.39318%0.177SC..Hα-helixtrans-60.9-36.4177.8-178.458.9000112.7V167 E311 W313 R319V167-L315 HydrophobicContact CG1-CD2 3.83Å; V167-L315 HydrophobicContact CG1-CG 4.44Å; E311-L315 WeakPolarHBondContact O-CB 3.41Å; E311-L315 PolarHBondContact O-N 3.31Å; W313-L315 PolarHBondContact O-N 2.81Å; L315-R319 HydrophobicContact CD1-CG 4.36Å; L315-R319 WeakPolarHBondContact O-CB 3.46Å; L315-R319 WeakPolarHBondContact O-CD 3.38Å; L315-R319 WeakPolarHBondContact O-CG 3.44Å; L315-R319 PolarHBondContact O-N 2.78Å; L315-R319 VanDerWaalsContact O-N 3.13Å
316L93.2Very high90.3Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-67.5-39.8174.2174.6144.3000112R166 T170 H195 M199 S312 W313 D314 S320 H416R166-L316 HydrophobicContact CG-CD1 4.33Å; T170-L316 HydrophobicContact CG2-CD1 3.9Å; T170-L316 HydrophobicContact CG2-CG 3.98Å; H195-L316 HydrophobicContact CB-CD1 4.12Å; H195-L316 HydrophobicContact CB-CD2 4.22Å; M199-L316 HydrophobicContact CG-CD1 4.14Å; M199-L316 HydrophobicContact SD-CD1 4.33Å; S312-L316 WeakPolarHBondContact O-CB 3.47Å; S312-L316 PolarHBondContact O-N 3.21Å; S312-L316 VanDerWaalsContact O-N 3.08Å; W313-L316 WeakPolarHBondContact O-CB 3.4Å; W313-L316 PolarHBondContact O-N 3.17Å; D314-L316 VanDerWaalsContact C-N 3.29Å; D314-L316 PolarHBondContact O-N 2.78Å; L316-S320 WeakPolarHBondContact O-CB 3.27Å; L316-S320 PolarHBondContact O-N 3.13Å; L316-S320 PolarHBondContact O-OG 3.49Å; L316-H416 VanDerWaalsContact CD2-CE1 3.47Å; L316-H416 WeakPolarHBondContact CD2-CE1 3.33Å
317V91.7Very high90.4Very high4 Ų439.1 Ų39.12%0.02419%0.188CC..Hα-helixtrans-70.6-43.3179167.80000111.2W313 D314 S320 R321 L413 H416 E417 M420W313-V317 WeakPolarHBondContact O-CG2 3.49Å; W313-V317 PolarHBondContact O-N 3.27Å; D314-V317 PolarHBondContact O-N 3.22Å; D314-V317 VanDerWaalsContact O-N 3.1Å; V317-S320 WeakPolarHBondContact O-CB 3.48Å; V317-S320 PolarHBondContact O-N 3.16Å; V317-R321 WeakPolarHBondContact O-CB 3.43Å; V317-R321 PolarHBondContact O-N 3.09Å; V317-L413 HydrophobicContact CG1-CD1 4.16Å; V317-H416 HydrophobicContact CG2-CB 3.65Å; V317-E417 HydrophobicContact CG1-CG 4.14Å; V317-M420 HydrophobicContact CB-SD 4.47Å; V317-M420 HydrophobicContact CG2-SD 4.04Å
318E89.4Confident90.7Very high79 Ų7934.1 Ų34.137%0.36917%0.165SC..Hα-helixtrans-63.7-44176-66.4-54.1150.300112D314 S320 R321 E322D314-E318 PolarHBondContact O-N 3.15Å; E318-S320 VanDerWaalsContact C-N 3.29Å; E318-S320 PolarHBondContact O-N 3.33Å; E318-R321 PolarHBondContact O-N 3.39Å; E318-R321 IonicContact OE1-CZ 3.67Å; E318-R321 IonicContact OE1-NH1 2.69Å; E318-R321 PolarHBondContact OE1-NH1 2.9Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 IonicContact OE2-CZ 2.62Å; E318-R321 IonicContact OE2-NH1 2.73Å; E318-R321 PolarHBondContact OE2-NH1 3.45Å; E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 3.11Å
319R90.2Very high90.8Very high65 Ų6531.6 Ų31.625%0.24516%0.155CC..Hα-helixtrans-62.2-36.6173.9-72.1170.2176.3-167.4-3.8112.3V167 T170 E171 L315 R323V167-R319 PolarHBondContact O-NH1 2.86Å; T170-R319 WeakPolarHBondContact OG1-CD 3.22Å; T170-R319 PolarHBondContact OG1-NH1 3.46Å; E171-R319 IonicContact OE1-NH1 3.17Å; E171-R319 IonicContact OE1-NH2 3.85Å; L315-R319 HydrophobicContact CD1-CG 4.36Å; L315-R319 WeakPolarHBondContact O-CB 3.46Å; L315-R319 WeakPolarHBondContact O-CD 3.38Å; L315-R319 WeakPolarHBondContact O-CG 3.44Å; L315-R319 PolarHBondContact O-N 2.78Å; L315-R319 VanDerWaalsContact O-N 3.13Å; R319-R323 WeakPolarHBondContact O-CB 3.15Å; R319-R323 PolarHBondContact O-N 2.74Å
320S90.9Very high90.8Very high10 Ų1035 Ų357%0.0718%0.178CC..Hα-helixtrans-68.8-46.1176.4-65.40000112.2L316 V317 E318 E322 R323 L324L316-S320 WeakPolarHBondContact O-CB 3.27Å; L316-S320 PolarHBondContact O-N 3.13Å; L316-S320 PolarHBondContact O-OG 3.49Å; V317-S320 WeakPolarHBondContact O-CB 3.48Å; V317-S320 PolarHBondContact O-N 3.16Å; E318-S320 VanDerWaalsContact C-N 3.29Å; E318-S320 PolarHBondContact O-N 3.33Å; S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3.34Å; S320-R323 PolarHBondContact O-N 3.08Å; S320-L324 WeakPolarHBondContact O-CG 3.2Å; S320-L324 PolarHBondContact O-N 2.89Å
321R90.1Very high90.9Very high30 Ų3034 Ų3411%0.11317%0.172CC..Hα-helixtrans-57.4-45174.5-171.2-175.9-67.1143.1-2.4110.4V317 E318 L324 R325 L359 L413 E417V317-R321 WeakPolarHBondContact O-CB 3.43Å; V317-R321 PolarHBondContact O-N 3.09Å; E318-R321 PolarHBondContact O-N 3.39Å; E318-R321 IonicContact OE1-CZ 3.67Å; E318-R321 IonicContact OE1-NH1 2.69Å; E318-R321 PolarHBondContact OE1-NH1 2.9Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 IonicContact OE2-CZ 2.62Å; E318-R321 IonicContact OE2-NH1 2.73Å; E318-R321 PolarHBondContact OE2-NH1 3.45Å; R321-L324 PolarHBondContact O-N 3.42Å; R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 2.82Å; R321-L359 HydrophobicContact CG-CD2 3.8Å; R321-L413 HydrophobicContact CB-CD1 4.34Å; R321-L413 HydrophobicContact CB-CD2 3.87Å; R321-L413 HydrophobicContact CG-CD2 3.87Å; R321-E417 IonicContact CZ-OE1 3.7Å; R321-E417 IonicContact NE-OE1 2.74Å; R321-E417 PolarHBondContact NE-OE1 2.89Å; R321-E417 IonicContact NH2-OE1 3.57Å; R321-E417 PolarHBondContact NH2-OE1 3.37Å
322E87.1Confident91.1Very high35 Ų3527.8 Ų27.816%0.16414%0.144CC..Hα-helixtrans-65.2-46.9178.8-176.849.7-146.100112.8E318 S320 L324 R325 S326 R366E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 3.11Å; S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3.34Å; E322-L324 VanDerWaalsContact C-N 3.27Å; E322-L324 PolarHBondContact O-N 2.8Å; E322-R325 WeakPolarHBondContact O-CB 3.43Å; E322-R325 PolarHBondContact O-N 3.14Å; E322-R325 VanDerWaalsContact O-N 3.12Å; E322-R325 VanDerWaalsContact OE2-CD 3.29Å; E322-R325 WeakPolarHBondContact OE2-CD 3.34Å; E322-R325 IonicContact OE2-CZ 2.96Å; E322-R325 IonicContact OE2-NE 3.07Å; E322-R325 IonicContact OE2-NH1 2.62Å; E322-R325 PolarHBondContact OE2-NH1 3.23Å; E322-S326 PolarHBondContact O-N 3.35Å; E322-S326 VanDerWaalsContact O-N 3.15Å; E322-S326 PolarHBondContact O-OG 2.88Å; E322-R366 WeakPolarHBondContact OE1-CD 3.38Å; E322-R366 IonicContact OE1-CZ 3.21Å; E322-R366 IonicContact OE1-NE 2.72Å; E322-R366 IonicContact OE1-NH1 2.76Å; E322-R366 PolarHBondContact OE1-NH1 3.29Å
323R89.6Confident91Very high56 Ų5629.6 Ų29.621%0.21115%0.152CC..Hα-helixtrans-60.9-35.9175.5-175.8166.5171.6-122.83112.2R176 E191 R319 S320 Y327R176-R323 PolarHBondContact O-NH2 3.43Å; E191-R323 IonicContact OE1-NH2 3.14Å; E191-R323 IonicContact OE2-CZ 2.87Å; E191-R323 IonicContact OE2-NH1 3.67Å; E191-R323 PolarHBondContact OE2-NH1 2.98Å; E191-R323 IonicContact OE2-NH2 2.67Å; E191-R323 PolarHBondContact OE2-NH2 3.47Å; R319-R323 WeakPolarHBondContact O-CB 3.15Å; R319-R323 PolarHBondContact O-N 2.74Å; S320-R323 PolarHBondContact O-N 3.08Å; R323-Y327 WeakPolarHBondContact O-CB 3.44Å; R323-Y327 PolarHBondContact O-N 3.12Å
324L91.5Very high90.7Very high3 Ų333.8 Ų33.82%0.01617%0.171CC..Hα-helixtrans-66.6-42.5172.7-74.2-176.8000112.3L188 L192 S320 R321 E322 Y327 Y328 L359 P409 L413L188-L324 HydrophobicContact CB-CD2 4.4Å; L188-L324 HydrophobicContact CD1-CD2 4.2Å; L192-L324 HydrophobicContact CD1-CD1 3.95Å; L192-L324 HydrophobicContact CD1-CD2 4.3Å; L192-L324 HydrophobicContact CD1-CG 4.41Å; S320-L324 WeakPolarHBondContact O-CG 3.2Å; S320-L324 PolarHBondContact O-N 2.89Å; R321-L324 PolarHBondContact O-N 3.42Å; E322-L324 VanDerWaalsContact C-N 3.27Å; E322-L324 PolarHBondContact O-N 2.8Å; L324-Y327 PolarHBondContact O-N 3.15Å; L324-Y328 HydrophobicContact CB-CD2 4.22Å; L324-Y328 HydrophobicContact CB-CE2 4.08Å; L324-Y328 HydrophobicContact CD2-CE2 4.04Å; L324-Y328 HydrophobicContact CG-CE2 4.46Å; L324-Y328 WeakPolarHBondContact O-CD2 3.38Å; L324-Y328 PolarHBondContact O-N 3.37Å; L324-L359 HydrophobicContact CB-CD1 4.19Å; L324-P409 HydrophobicContact CD1-CB 4.33Å; L324-P409 HydrophobicContact CD2-CB 3.72Å; L324-L413 HydrophobicContact CD1-CB 4.11Å; L324-L413 HydrophobicContact CD1-CD2 4.23Å
325R89.4Confident90.6Very high8 Ų832.5 Ų32.53%0.0316%0.164CC..Hα-helixtrans-56.2-55.2176.4-70.8166.6-176.3165.5-10.6111.5R321 E322 Y327 Y328 S329 L359 D364 L370R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 2.82Å; E322-R325 WeakPolarHBondContact O-CB 3.43Å; E322-R325 PolarHBondContact O-N 3.14Å; E322-R325 VanDerWaalsContact O-N 3.12Å; E322-R325 VanDerWaalsContact OE2-CD 3.29Å; E322-R325 WeakPolarHBondContact OE2-CD 3.34Å; E322-R325 IonicContact OE2-CZ 2.96Å; E322-R325 IonicContact OE2-NE 3.07Å; E322-R325 IonicContact OE2-NH1 2.62Å; E322-R325 PolarHBondContact OE2-NH1 3.23Å; R325-Y327 VanDerWaalsContact C-N 3.27Å; R325-Y327 PolarHBondContact O-N 2.95Å; R325-Y328 PolarHBondContact O-N 3.07Å; R325-S329 PolarHBondContact O-N 2.67Å; R325-S329 PolarHBondContact O-OG 3.43Å; R325-S329 VanDerWaalsContact O-OG 3.08Å; R325-L359 HydrophobicContact CG-CB 3.95Å; R325-L359 HydrophobicContact CG-CD1 4.21Å; R325-L359 PolarHBondContact NE-O 3.15Å; R325-L359 PolarHBondContact NH2-O 2.7Å; R325-L359 VanDerWaalsContact NH2-O 3.11Å; R325-D364 IonicContact CZ-OD2 2.72Å; R325-D364 IonicContact NH1-OD2 3.65Å; R325-D364 PolarHBondContact NH1-OD2 3.2Å; R325-D364 IonicContact NH2-OD2 2.73Å; R325-L370 HydrophobicContact CB-CD2 4.25Å; R325-L370 HydrophobicContact CG-CD2 3.95Å
326S87.6Confident90.4Very high53 Ų5329.1 Ų29.137%0.37115%0.147SC..Hα-helixtrans-58.6-42.5-178.1-42.30000111.3E322 C330E322-S326 PolarHBondContact O-N 3.35Å; E322-S326 VanDerWaalsContact O-N 3.15Å; E322-S326 PolarHBondContact O-OG 2.88Å; S326-C330 PolarHBondContact O-N 2.62Å; S326-C330 PolarHBondContact O-SG 2.73Å; S326-C330 VanDerWaalsContact O-SG 3.4Å
327Y91.8Very high90.1Very high17 Ų1736.4 Ų36.47%0.06718%0.181CC..Hα-helixtrans-63.4-45.7177.9175.7-95.2000112.8T181 N184 C185 L188 R323 L324 R325 C330 L331T181-Y327 PolarHBondContact O-OH 3.18Å; N184-Y327 HydrophobicContact CB-CE2 4.25Å; C185-Y327 PolarHBondContact N-OH 2.69Å; C185-Y327 VanDerWaalsContact N-OH 3.12Å; C185-Y327 PolarHBondContact SG-OH 3.14Å; L188-Y327 HydrophobicContact CD1-CD1 3.46Å; L188-Y327 VanDerWaalsContact CD1-CD1 3.46Å; L188-Y327 HydrophobicContact CD1-CD2 3.72Å; L188-Y327 HydrophobicContact CD1-CE1 3.57Å; L188-Y327 HydrophobicContact CD1-CE2 3.82Å; L188-Y327 HydrophobicContact CD1-CG 3.54Å; R323-Y327 WeakPolarHBondContact O-CB 3.44Å; R323-Y327 PolarHBondContact O-N 3.12Å; L324-Y327 PolarHBondContact O-N 3.15Å; R325-Y327 VanDerWaalsContact C-N 3.27Å; R325-Y327 PolarHBondContact O-N 2.95Å; Y327-C330 PolarHBondContact O-N 3.43Å; Y327-L331 HydrophobicContact CE1-CD2 3.73Å; Y327-L331 VanDerWaalsContact O-CB 3.3Å; Y327-L331 WeakPolarHBondContact O-CB 3.18Å; Y327-L331 PolarHBondContact O-N 3.37Å
328Y94.1Very high89.7Confident0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-69.1-39.6177.4-73.8-58.9000112.7L324 R325 C330 L331 L332 F352 L356 L359 M406 P409 L410L324-Y328 HydrophobicContact CB-CD2 4.22Å; L324-Y328 HydrophobicContact CB-CE2 4.08Å; L324-Y328 HydrophobicContact CD2-CE2 4.04Å; L324-Y328 HydrophobicContact CG-CE2 4.46Å; L324-Y328 WeakPolarHBondContact O-CD2 3.38Å; L324-Y328 PolarHBondContact O-N 3.37Å; R325-Y328 PolarHBondContact O-N 3.07Å; Y328-C330 VanDerWaalsContact C-N 3.28Å; Y328-C330 PolarHBondContact O-N 3.37Å; Y328-L331 HydrophobicContact CD1-CD2 4.21Å; Y328-L331 HydrophobicContact CE1-CD2 4.4Å; Y328-L331 PolarHBondContact O-N 3.03Å; Y328-L332 VanDerWaalsContact O-CB 3.26Å; Y328-L332 WeakPolarHBondContact O-CB 3.49Å; Y328-L332 VanDerWaalsContact O-CD1 3.31Å; Y328-L332 WeakPolarHBondContact O-CD1 3.48Å; Y328-L332 WeakPolarHBondContact O-CG 3.43Å; Y328-L332 PolarHBondContact O-N 3.12Å; Y328-F352 HydrophobicContact CE1-CE2 4.21Å; Y328-F352 HydrophobicContact CE1-CZ 4.45Å; Y328-L356 HydrophobicContact CD1-CD1 4.13Å; Y328-L356 HydrophobicContact CD2-CD1 3.66Å; Y328-L356 HydrophobicContact CE2-CD1 4.26Å; Y328-L356 HydrophobicContact CG-CD1 3.61Å; Y328-L359 HydrophobicContact CD2-CD1 3.77Å; Y328-L359 HydrophobicContact CE2-CD1 4.25Å; Y328-M406 PolarHBondContact OH-O 2.72Å; Y328-P409 WeakPolarHBondContact OH-CB 2.98Å; Y328-P409 WeakPolarHBondContact OH-CD 3.44Å; Y328-P409 VanDerWaalsContact OH-CG 3.27Å; Y328-P409 WeakPolarHBondContact OH-CG 3.28Å; Y328-L410 HydrophobicContact CD2-CD2 4.3Å; Y328-L410 HydrophobicContact CE2-CD1 4.45Å; Y328-L410 HydrophobicContact CE2-CD2 3.62Å; Y328-L410 HydrophobicContact CE2-CG 3.91Å
329S91Very high89.3Confident7 Ų738.1 Ų38.15%0.04920%0.197CC..Hα-helixtrans-53-47.7174.4-64.80000111.3R325 N333 L370R325-S329 PolarHBondContact O-N 2.67Å; R325-S329 PolarHBondContact O-OG 3.43Å; R325-S329 VanDerWaalsContact O-OG 3.08Å; S329-N333 WeakPolarHBondContact O-CB 3.38Å; S329-N333 VanDerWaalsContact O-CG 3.32Å; S329-N333 PolarHBondContact O-N 3.33Å; S329-N333 PolarHBondContact O-ND2 2.75Å; S329-L370 VanDerWaalsContact OG-CA 3.28Å; S329-L370 WeakPolarHBondContact OG-CA 3.49Å; S329-L370 WeakPolarHBondContact OG-CB 3.43Å; S329-L370 PolarHBondContact OG-N 3.44Å
330C91.4Very high89Confident75 Ų7537.7 Ų37.751%0.50720%0.2SC..Hα-helixtrans-67.2-47.5176.6-64.80000112.7A180 S326 Y327 Y328 L332 Q334A180-C330 HydrophobicContact CB-CB 3.48Å; A180-C330 VanDerWaalsContact CB-CB 3.48Å; S326-C330 PolarHBondContact O-N 2.62Å; S326-C330 PolarHBondContact O-SG 2.73Å; S326-C330 VanDerWaalsContact O-SG 3.4Å; Y327-C330 PolarHBondContact O-N 3.43Å; Y328-C330 VanDerWaalsContact C-N 3.28Å; Y328-C330 PolarHBondContact O-N 3.37Å; C330-L332 PolarHBondContact O-N 2.95Å; C330-Q334 WeakPolarHBondContact O-CB 3.14Å; C330-Q334 PolarHBondContact O-N 3.49Å
331L92.9Very high88.7Confident4 Ų437.2 Ų37.22%0.02120%0.197CC..Hα-helixtrans-63.2-41.7-176.4170.659000112A180 Y327 Y328 M335A180-L331 HydrophobicContact CB-CB 4.18Å; A180-L331 VanDerWaalsContact O-CD1 3.25Å; A180-L331 WeakPolarHBondContact O-CD1 3.38Å; Y327-L331 HydrophobicContact CE1-CD2 3.73Å; Y327-L331 VanDerWaalsContact O-CB 3.3Å; Y327-L331 WeakPolarHBondContact O-CB 3.18Å; Y327-L331 PolarHBondContact O-N 3.37Å; Y328-L331 HydrophobicContact CD1-CD2 4.21Å; Y328-L331 HydrophobicContact CE1-CD2 4.4Å; Y328-L331 PolarHBondContact O-N 3.03Å; L331-M335 HydrophobicContact CD1-CE 4Å; L331-M335 HydrophobicContact CD1-CG 4.48Å; L331-M335 HydrophobicContact CD1-SD 4.31Å; L331-M335 HydrophobicContact CG-CE 3.88Å; L331-M335 WeakPolarHBondContact O-CG 3.21Å; L331-M335 PolarHBondContact O-N 2.73Å
332L92.7Very high88.5Confident0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-72.5-42.4-178.9-65.1162.7000111.7Y328 C330 M335 A336 F352 L356 L370 A373 I374 F377Y328-L332 VanDerWaalsContact O-CB 3.26Å; Y328-L332 WeakPolarHBondContact O-CB 3.49Å; Y328-L332 VanDerWaalsContact O-CD1 3.31Å; Y328-L332 WeakPolarHBondContact O-CD1 3.48Å; Y328-L332 WeakPolarHBondContact O-CG 3.43Å; Y328-L332 PolarHBondContact O-N 3.12Å; C330-L332 PolarHBondContact O-N 2.95Å; L332-M335 HydrophobicContact CD2-CE 3.97Å; L332-M335 PolarHBondContact O-N 3.25Å; L332-A336 WeakPolarHBondContact O-CB 3.27Å; L332-A336 PolarHBondContact O-N 3.27Å; L332-F352 HydrophobicContact CD2-CE1 4.44Å; L332-F352 HydrophobicContact CD2-CZ 4.49Å; L332-L356 HydrophobicContact CD1-CD1 4.45Å; L332-L356 HydrophobicContact CD1-CD2 3.7Å; L332-L356 HydrophobicContact CD2-CD2 4.44Å; L332-L370 HydrophobicContact CD1-CD1 4.03Å; L332-A373 HydrophobicContact CB-CB 4.01Å; L332-I374 HydrophobicContact CD1-CG1 4.14Å; L332-F377 HydrophobicContact CB-CB 4.17Å; L332-F377 HydrophobicContact CD2-CB 4.06Å; L332-F377 HydrophobicContact CD2-CD1 3.77Å; L332-F377 HydrophobicContact CD2-CD2 3.74Å; L332-F377 HydrophobicContact CD2-CE1 4.07Å; L332-F377 HydrophobicContact CD2-CE2 4.07Å; L332-F377 HydrophobicContact CD2-CG 3.59Å; L332-F377 HydrophobicContact CD2-CZ 4.22Å
333N90.2Very high88.5Confident57 Ų5737.1 Ų37.131%0.30520%0.197SC..Hα-helixtrans-61.2-46.6172.7-77.6-24.2000111.1S329 M335 A336 E337 A373S329-N333 WeakPolarHBondContact O-CB 3.38Å; S329-N333 VanDerWaalsContact O-CG 3.32Å; S329-N333 PolarHBondContact O-N 3.33Å; S329-N333 PolarHBondContact O-ND2 2.75Å; N333-M335 VanDerWaalsContact C-N 3.29Å; N333-M335 PolarHBondContact O-N 3.04Å; N333-A336 WeakPolarHBondContact O-CB 3.34Å; N333-A336 PolarHBondContact O-N 2.85Å; N333-E337 WeakPolarHBondContact O-CG 3.22Å; N333-E337 PolarHBondContact O-N 2.73Å; N333-A373 VanDerWaalsContact OD1-CA 3.29Å; N333-A373 WeakPolarHBondContact OD1-CA 3.31Å; N333-A373 VanDerWaalsContact OD1-CB 3.32Å; N333-A373 WeakPolarHBondContact OD1-CB 3.23Å
334Q87.6Confident88.2Confident88 Ų8839.2 Ų39.241%0.41121%0.209SC..Hα-helixtrans-60.6-37.4177.5-171.7175.311.400111.9A180 C330 N338A180-Q334 PolarHBondContact O-OE1 3.36Å; C330-Q334 WeakPolarHBondContact O-CB 3.14Å; C330-Q334 PolarHBondContact O-N 3.49Å; Q334-N338 PolarHBondContact O-ND2 3.34Å
335M88.2Confident87.9Confident16 Ų1642 Ų428%0.07922%0.222CC..Hα-helixtrans-70.8-35.6173.7-72.8-174.2-64.100113L331 L332 N333 N338 I341 F377 V396 L398 M406L331-M335 HydrophobicContact CD1-CE 4Å; L331-M335 HydrophobicContact CD1-CG 4.48Å; L331-M335 HydrophobicContact CD1-SD 4.31Å; L331-M335 HydrophobicContact CG-CE 3.88Å; L331-M335 WeakPolarHBondContact O-CG 3.21Å; L331-M335 PolarHBondContact O-N 2.73Å; L332-M335 HydrophobicContact CD2-CE 3.97Å; L332-M335 PolarHBondContact O-N 3.25Å; N333-M335 VanDerWaalsContact C-N 3.29Å; N333-M335 PolarHBondContact O-N 3.04Å; M335-N338 PolarHBondContact O-N 2.79Å; M335-I341 HydrophobicContact CB-CD1 4.03Å; M335-F377 HydrophobicContact CB-CD2 4.15Å; M335-F377 HydrophobicContact CB-CE2 4.23Å; M335-F377 HydrophobicContact CE-CD2 3.95Å; M335-F377 HydrophobicContact CE-CE2 3.47Å; M335-F377 VanDerWaalsContact CE-CE2 3.47Å; M335-F377 HydrophobicContact CE-CZ 4.25Å; M335-F377 HydrophobicContact SD-CE2 4.09Å; M335-V396 HydrophobicContact CG-CG1 4.49Å; M335-V396 HydrophobicContact SD-CG1 4.46Å; M335-L398 HydrophobicContact SD-CD2 4.33Å; M335-M406 HydrophobicContact CE-SD 3.83Å; M335-M406 HydrophobicContact SD-SD 4.28Å
336A87.7Confident87.9Confident5 Ų546.6 Ų46.64%0.04124%0.242CC..Hα-helixtrans-67.3-38.8176.300000112.6L332 N333 N338 G339 A376 R380L332-A336 WeakPolarHBondContact O-CB 3.27Å; L332-A336 PolarHBondContact O-N 3.27Å; N333-A336 WeakPolarHBondContact O-CB 3.34Å; N333-A336 PolarHBondContact O-N 2.85Å; A336-N338 PolarHBondContact O-N 3.11Å; A336-G339 PolarHBondContact O-N 2.9Å; A336-A376 HydrophobicContact CB-CB 4.07Å; A336-R380 WeakPolarHBondContact O-CD 3.41Å; A336-R380 PolarHBondContact O-NE 3.41Å; A336-R380 VanDerWaalsContact O-NE 3.16Å; A336-R380 PolarHBondContact O-NH1 2.73Å
337E87Confident87.9Confident153 Ų15349.1 Ų49.172%0.71525%0.25SS*.Hα-helixtrans-61.5-31.5175.4-73.7167-169.500112.4N333 G339N333-E337 WeakPolarHBondContact O-CG 3.22Å; N333-E337 PolarHBondContact O-N 2.73Å; E337-G339 PolarHBondContact O-N 3.01Å; E337-G339 VanDerWaalsContact O-N 3.16Å
338N83.1Confident87.8Confident98 Ų9848.8 Ų48.852%0.52425%0.251SS..THydrogen-bonded Turntrans-77.112.2-178.8-80.2-64000115.5Q334 M335 A336 V396Q334-N338 PolarHBondContact O-ND2 3.34Å; M335-N338 PolarHBondContact O-N 2.79Å; A336-N338 PolarHBondContact O-N 3.11Å; N338-V396 HydrophobicContact CB-CG2 3.64Å
339G80.7Confident87.6Confident20 Ų2048.8 Ų48.821%0.20625%0.251CS..SBendtrans108.6-134.6168.800000114.5A336 E337 R380A336-G339 PolarHBondContact O-N 2.9Å; E337-G339 PolarHBondContact O-N 3.01Å; E337-G339 VanDerWaalsContact O-N 3.16Å; G339-R380 WeakPolarHBondContact O-CD 3.46Å; G339-R380 PolarHBondContact O-NH1 2.94Å
340D84Confident87.6Confident56 Ų5651.5 Ų51.530%0.29927%0.265SS..EExtended strand (participates in β ladder)trans-82143.5173.5-87.4-11.4000110.5K382 G395 V396D340-K382 HydrophobicContact CB-CD 4.3Å; D340-K382 IonicContact OD1-NZ 2.97Å; D340-K382 PolarHBondContact OD1-NZ 3.15Å; D340-K382 WeakPolarHBondContact OD2-CD 3.29Å; D340-K382 IonicContact OD2-NZ 2.61Å; D340-K382 PolarHBondContact OD2-NZ 3.47Å; D340-G395 CarbonylContact O-C 3.44Å; D340-G395 WeakPolarHBondContact O-CA 3.43Å; D340-V396 PolarHBondContact O-N 3.4Å
341I86Confident87.7Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-114.8102.4-178.1-51.1178.3000109.1M335 F377 R380 L381 K382 V396 L398M335-I341 HydrophobicContact CB-CD1 4.03Å; I341-F377 HydrophobicContact CD1-CD2 3.31Å; I341-F377 HydrophobicContact CD1-CE2 3.58Å; I341-F377 HydrophobicContact CD1-CG 4.19Å; I341-F377 HydrophobicContact CG2-CE2 4.06Å; I341-F377 HydrophobicContact CG2-CZ 4.48Å; I341-R380 HydrophobicContact CD1-CB 4.18Å; I341-R380 HydrophobicContact CG1-CB 4.06Å; I341-R380 PolarHBondContact N-O 2.92Å; I341-L381 HydrophobicContact CB-CD2 4.12Å; I341-L381 HydrophobicContact CG2-CD2 3.75Å; I341-L381 CarbonylContact O-C 3.54Å; I341-L381 WeakPolarHBondContact O-CA 3.21Å; I341-K382 PolarHBondContact O-N 2.94Å; I341-V396 CarbonylContact C-O 3.53Å; I341-V396 WeakPolarHBondContact CA-O 3.47Å; I341-V396 HydrophobicContact CG1-CB 4.34Å; I341-V396 HydrophobicContact CG2-CB 4.27Å; I341-V396 HydrophobicContact CG2-CG1 4.42Å; I341-L398 HydrophobicContact CG2-CD1 3.65Å; I341-L398 HydrophobicContact CG2-CG 4.18Å
342Q84.9Confident87.7Confident41 Ų4151.1 Ų51.119%0.19226%0.258CS..EExtended strand (participates in β ladder)trans-86.5139.7176.4-74-167.5-14.200111.8K382 V396 F397 L398Q342-K382 VanDerWaalsContact CA-O 3.29Å; Q342-K382 WeakPolarHBondContact CA-O 3.43Å; Q342-V396 PolarHBondContact N-O 3.2Å; Q342-F397 HydrophobicContact CB-CD2 3.76Å; Q342-F397 HydrophobicContact CB-CE2 4.26Å; Q342-F397 WeakPolarHBondContact O-CA 3.41Å; Q342-L398 PolarHBondContact O-N 2.82Å
343Y87.1Confident87.7Confident22 Ų2251.6 Ų51.69%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-138.4147.1178.269.9-70.8000113.4K346 M349 L381 K382 M383 T384 L398Y343-K346 HydrophobicContact CE2-CG 4.48Å; Y343-M349 HydrophobicContact CD2-CB 3.57Å; Y343-M349 HydrophobicContact CD2-CE 4.05Å; Y343-M349 HydrophobicContact CD2-CG 3.84Å; Y343-M349 HydrophobicContact CE2-CB 3.52Å; Y343-M349 HydrophobicContact CE2-CG 3.72Å; Y343-M349 HydrophobicContact CG-CE 3.98Å; Y343-M349 HydrophobicContact CG-CG 4.49Å; Y343-L381 HydrophobicContact CD1-CB 4.33Å; Y343-L381 HydrophobicContact CD1-CD2 3.83Å; Y343-L381 HydrophobicContact CE1-CB 3.9Å; Y343-L381 HydrophobicContact CE1-CD2 4.17Å; Y343-L381 HydrophobicContact CE1-CG 4.48Å; Y343-L381 HydrophobicContact CG-CD2 4.4Å; Y343-K382 VanDerWaalsContact CD1-O 3.3Å; Y343-K382 WeakPolarHBondContact CD1-O 3.36Å; Y343-K382 PolarHBondContact N-O 2.98Å; Y343-K382 VanDerWaalsContact N-O 3.17Å; Y343-M383 HydrophobicContact CD2-SD 3.99Å; Y343-M383 HydrophobicContact CE1-CG 4.1Å; Y343-M383 HydrophobicContact CE1-SD 4.24Å; Y343-M383 HydrophobicContact CE2-CG 4.29Å; Y343-M383 HydrophobicContact CE2-SD 3.58Å; Y343-M383 VanDerWaalsContact CE2-SD 3.58Å; Y343-M383 HydrophobicContact CG-SD 4.49Å; Y343-T384 PolarHBondContact O-N 3.43Å; Y343-T384 VanDerWaalsContact O-N 3.08Å; Y343-T384 PolarHBondContact O-OG1 3.06Å; Y343-L398 WeakPolarHBondContact CA-O 2.99Å
344Q83.1Confident87.6Confident100 Ų10055 Ų5547%0.46728%0.275SS..SBendtrans-87.8-43.8-173.5-68.4-173.9-43.200114.5F397 L398 R399Q344-F397 HydrophobicContact CG-CE1 3.8Å; Q344-F397 HydrophobicContact CG-CE2 4.47Å; Q344-F397 HydrophobicContact CG-CZ 3.52Å; Q344-L398 PolarHBondContact N-O 3.29Å; Q344-L398 VanDerWaalsContact N-O 3.16Å; Q344-R399 VanDerWaalsContact OE1-CB 3.28Å
345H85.8Confident87.8Confident62 Ų6251.6 Ų51.629%0.28726%0.259SS..  trans-117.2109.4-167.7-171.4-134.6000111.9A348 M349 E400H345-A348 HydrophobicContact CB-CB 4.4Å; H345-A348 WeakPolarHBondContact ND1-CB 3.38Å; H345-M349 PolarHBondContact O-N 2.98Å; H345-E400 HydrophobicContact CB-CB 4.01Å; H345-E400 HydrophobicContact CB-CG 4.04Å; H345-E400 IonicContact CE1-OE1 2.7Å; H345-E400 PolarHBondContact CE1-OE1 2.78Å; H345-E400 IonicContact CG-OE1 2.89Å; H345-E400 IonicContact ND1-OE1 3.19Å; H345-E400 PolarHBondContact ND1-OE1 2.79Å
346K88Confident87.9Confident105 Ų10550.8 Ų50.846%0.45726%0.255SS..Hα-helixtrans-62.1-51.4-171.3-163-175.3179.7-65.20113.1Y343 A348 M349 D350 M383Y343-K346 HydrophobicContact CE2-CG 4.48Å; K346-A348 VanDerWaalsContact C-N 3.33Å; K346-A348 PolarHBondContact O-N 3.44Å; K346-M349 PolarHBondContact O-N 2.75Å; K346-M349 VanDerWaalsContact O-N 3.1Å; K346-D350 IonicContact NZ-OD1 3.97Å; K346-D350 PolarHBondContact NZ-OD1 3.32Å; K346-D350 IonicContact NZ-OD2 2.67Å; K346-D350 PolarHBondContact NZ-OD2 3.46Å; K346-D350 PolarHBondContact O-N 2.89Å; K346-M383 HydrophobicContact CB-SD 3.97Å; K346-M383 HydrophobicContact CG-SD 4.3Å
347I88.9Confident87.9Confident105 Ų10557 Ų5754%0.53828%0.277SS..Hα-helixtrans-64.4-37.4-173-59.2170.5000111.3D350 N351I347-D350 PolarHBondContact O-N 3.35Å; I347-N351 WeakPolarHBondContact O-CB 3.41Å; I347-N351 PolarHBondContact O-N 3.4Å; I347-N351 PolarHBondContact O-ND2 3.01Å; I347-N351 PolarHBondContact O-OD1 2.96Å
348A88.4Confident87.7Confident11 Ų1152 Ų529%0.09127%0.268CS..Hα-helixtrans-65-39.1175.500000112.2H345 K346 F352 I403H345-A348 HydrophobicContact CB-CB 4.4Å; H345-A348 WeakPolarHBondContact ND1-CB 3.38Å; K346-A348 VanDerWaalsContact C-N 3.33Å; K346-A348 PolarHBondContact O-N 3.44Å; A348-F352 VanDerWaalsContact O-CB 3.31Å; A348-F352 WeakPolarHBondContact O-CB 3.07Å; A348-F352 PolarHBondContact O-N 2.87Å; A348-I403 HydrophobicContact CB-CB 4.38Å; A348-I403 HydrophobicContact CB-CG2 3.85Å; A348-I403 WeakPolarHBondContact O-CG2 3.16Å
349M91.9Very high87.8Confident0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-70.2-43.1176.2-173.663.775.600111.7Y343 H345 K346 N351 F352 L353 F377 L381 L398 I403Y343-M349 HydrophobicContact CD2-CB 3.57Å; Y343-M349 HydrophobicContact CD2-CE 4.05Å; Y343-M349 HydrophobicContact CD2-CG 3.84Å; Y343-M349 HydrophobicContact CE2-CB 3.52Å; Y343-M349 HydrophobicContact CE2-CG 3.72Å; Y343-M349 HydrophobicContact CG-CE 3.98Å; Y343-M349 HydrophobicContact CG-CG 4.49Å; H345-M349 PolarHBondContact O-N 2.98Å; K346-M349 PolarHBondContact O-N 2.75Å; K346-M349 VanDerWaalsContact O-N 3.1Å; M349-N351 PolarHBondContact O-N 2.79Å; M349-F352 PolarHBondContact O-N 3.49Å; M349-F352 HydrophobicContact SD-CD1 3.88Å; M349-L353 HydrophobicContact CG-CD1 3.97Å; M349-L353 HydrophobicContact CG-CG 4.38Å; M349-L353 WeakPolarHBondContact O-CB 3.43Å; M349-L353 VanDerWaalsContact O-CG 3.29Å; M349-L353 WeakPolarHBondContact O-CG 3.32Å; M349-L353 PolarHBondContact O-N 3.43Å; M349-L353 HydrophobicContact SD-CD1 4.36Å; M349-L353 HydrophobicContact SD-CG 4.29Å; M349-F377 HydrophobicContact CE-CE1 4.45Å; M349-F377 HydrophobicContact CE-CZ 4.19Å; M349-F377 HydrophobicContact SD-CE1 3.95Å; M349-F377 HydrophobicContact SD-CZ 4.24Å; M349-L381 HydrophobicContact CE-CD2 3.82Å; M349-L381 HydrophobicContact CG-CD1 3.95Å; M349-L381 HydrophobicContact SD-CD1 4.05Å; M349-L381 HydrophobicContact SD-CD2 4.32Å; M349-L398 HydrophobicContact CE-CD1 3.74Å; M349-I403 HydrophobicContact CB-CD1 4.37Å; M349-I403 HydrophobicContact CE-CD1 3.96Å; M349-I403 HydrophobicContact CE-CG1 3.88Å
350D90.7Very high87.8Confident63 Ų6349.1 Ų49.134%0.33725%0.247SC..Hα-helixtrans-57.8-48.9176.5-67.8-29.9000110.4K346 I347 L353 E354K346-D350 IonicContact NZ-OD1 3.97Å; K346-D350 PolarHBondContact NZ-OD1 3.32Å; K346-D350 IonicContact NZ-OD2 2.67Å; K346-D350 PolarHBondContact NZ-OD2 3.46Å; K346-D350 PolarHBondContact O-N 2.89Å; I347-D350 PolarHBondContact O-N 3.35Å; D350-L353 PolarHBondContact O-N 3.15Å; D350-E354 PolarHBondContact O-N 2.81Å
351N92.1Very high87.2Confident72 Ų7249.6 Ų49.639%0.38525%0.249SC..Hα-helixtrans-62.8-41.4176.8-67.9-10.2000112.7I347 M349 E354 D355I347-N351 WeakPolarHBondContact O-CB 3.41Å; I347-N351 PolarHBondContact O-N 3.4Å; I347-N351 PolarHBondContact O-ND2 3.01Å; I347-N351 PolarHBondContact O-OD1 2.96Å; M349-N351 PolarHBondContact O-N 2.79Å; N351-E354 PolarHBondContact O-N 3.34Å; N351-D355 WeakPolarHBondContact O-CB 3.46Å; N351-D355 PolarHBondContact O-N 3.14Å
352F94.3Very high85.9Confident0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-60.7-46.5175.8166.2-111.4000111.2Y328 L332 A348 M349 D355 L356 F377 I403 M406 H407 L410Y328-F352 HydrophobicContact CE1-CE2 4.21Å; Y328-F352 HydrophobicContact CE1-CZ 4.45Å; L332-F352 HydrophobicContact CD2-CE1 4.44Å; L332-F352 HydrophobicContact CD2-CZ 4.49Å; A348-F352 VanDerWaalsContact O-CB 3.31Å; A348-F352 WeakPolarHBondContact O-CB 3.07Å; A348-F352 PolarHBondContact O-N 2.87Å; M349-F352 PolarHBondContact O-N 3.49Å; M349-F352 HydrophobicContact SD-CD1 3.88Å; F352-D355 PolarHBondContact O-N 2.88Å; F352-L356 HydrophobicContact CE1-CD2 4.03Å; F352-L356 HydrophobicContact CE2-CD2 4.49Å; F352-L356 HydrophobicContact CZ-CD2 3.89Å; F352-L356 WeakPolarHBondContact O-CB 3.44Å; F352-L356 PolarHBondContact O-N 3.07Å; F352-F377 HydrophobicContact CE1-CE1 4.35Å; F352-I403 HydrophobicContact CB-CG2 4.16Å; F352-M406 HydrophobicContact CD2-CB 4.24Å; F352-M406 HydrophobicContact CE1-CE 4.14Å; F352-M406 HydrophobicContact CE2-CB 3.73Å; F352-M406 WeakPolarHBondContact CE2-O 3.29Å; F352-M406 HydrophobicContact CZ-CB 3.97Å; F352-M406 HydrophobicContact CZ-CE 4.37Å; F352-M406 HydrophobicContact CZ-SD 4.42Å; F352-H407 HydrophobicContact CB-CB 4.33Å; F352-H407 HydrophobicContact CD2-CB 4.1Å; F352-L410 HydrophobicContact CD2-CD1 3.75Å; F352-L410 HydrophobicContact CE2-CD1 3.74Å
353L91.3Very high84.7Confident10 Ų1061.2 Ų61.25%0.05232%0.319CS..Hα-helixtrans-68.9-33.4-179.9-68.8172.7000112.7M349 D350 L356 R357 F377 L381M349-L353 HydrophobicContact CG-CD1 3.97Å; M349-L353 HydrophobicContact CG-CG 4.38Å; M349-L353 WeakPolarHBondContact O-CB 3.43Å; M349-L353 VanDerWaalsContact O-CG 3.29Å; M349-L353 WeakPolarHBondContact O-CG 3.32Å; M349-L353 PolarHBondContact O-N 3.43Å; M349-L353 HydrophobicContact SD-CD1 4.36Å; M349-L353 HydrophobicContact SD-CG 4.29Å; D350-L353 PolarHBondContact O-N 3.15Å; L353-L356 HydrophobicContact CD2-CD2 4.32Å; L353-R357 WeakPolarHBondContact O-CD 3.32Å; L353-R357 WeakPolarHBondContact O-CG 3.48Å; L353-R357 PolarHBondContact O-N 2.93Å; L353-R357 VanDerWaalsContact O-N 3.11Å; L353-F377 HydrophobicContact CD2-CD1 4.15Å; L353-F377 HydrophobicContact CD2-CE1 4.13Å; L353-L381 HydrophobicContact CD1-CD1 3.83Å
354E89.5Confident83.6Confident129 Ų12962.1 Ų62.160%0.60333%0.325SS*.Hα-helixtrans-64.5-51.4172.1-174.4174.4-17800111.3D350 N351 L356 R357 G358D350-E354 PolarHBondContact O-N 2.81Å; N351-E354 PolarHBondContact O-N 3.34Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 3.13Å; E354-R357 WeakPolarHBondContact O-CB 3.23Å; E354-R357 PolarHBondContact O-N 3.31Å; E354-G358 PolarHBondContact O-N 2.91Å
355D90.4Very high82.7Confident15 Ų1562.6 Ų62.68%0.0834%0.335CS..Hα-helixtrans-65.8-35-179.2-73.95.7000112.5N351 F352 G358 H407 L410 R414N351-D355 WeakPolarHBondContact O-CB 3.46Å; N351-D355 PolarHBondContact O-N 3.14Å; F352-D355 PolarHBondContact O-N 2.88Å; D355-G358 WeakPolarHBondContact O-CA 3.32Å; D355-G358 PolarHBondContact O-N 3.33Å; D355-G358 VanDerWaalsContact O-N 3.11Å; D355-H407 IonicContact OD2-CD2 3.82Å; D355-H407 IonicContact OD2-CE1 3.15Å; D355-H407 IonicContact OD2-NE2 3.21Å; D355-H407 PolarHBondContact OD2-NE2 3.25Å; D355-L410 HydrophobicContact CB-CB 4.26Å; D355-L410 HydrophobicContact CB-CD1 4.21Å; D355-R414 VanDerWaalsContact CG-CZ 3.43Å; D355-R414 VanDerWaalsContact CG-NH2 3.3Å; D355-R414 IonicContact OD1-CZ 2.65Å; D355-R414 IonicContact OD1-NH1 2.75Å; D355-R414 PolarHBondContact OD1-NH1 2.61Å; D355-R414 IonicContact OD1-NH2 3.63Å; D355-R414 PolarHBondContact OD1-NH2 2.94Å; D355-R414 IonicContact OD2-CZ 3.74Å; D355-R414 IonicContact OD2-NH1 2.66Å; D355-R414 PolarHBondContact OD2-NH1 2.97Å; D355-R414 IonicContact OD2-NH2 3.81Å
356L91.1Very high81.8Confident0 Ų065.6 Ų65.60%034%0.344CS..Hα-helixtrans-67.6-37.9176.1-179.669.5000112.1Y328 L332 F352 L353 E354 G358 L359 L370 I374 L410Y328-L356 HydrophobicContact CD1-CD1 4.13Å; Y328-L356 HydrophobicContact CD2-CD1 3.66Å; Y328-L356 HydrophobicContact CE2-CD1 4.26Å; Y328-L356 HydrophobicContact CG-CD1 3.61Å; L332-L356 HydrophobicContact CD1-CD1 4.45Å; L332-L356 HydrophobicContact CD1-CD2 3.7Å; L332-L356 HydrophobicContact CD2-CD2 4.44Å; F352-L356 HydrophobicContact CE1-CD2 4.03Å; F352-L356 HydrophobicContact CE2-CD2 4.49Å; F352-L356 HydrophobicContact CZ-CD2 3.89Å; F352-L356 WeakPolarHBondContact O-CB 3.44Å; F352-L356 PolarHBondContact O-N 3.07Å; L353-L356 HydrophobicContact CD2-CD2 4.32Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 3.13Å; L356-G358 PolarHBondContact O-N 3.12Å; L356-L359 HydrophobicContact CD1-CD1 4.15Å; L356-L359 WeakPolarHBondContact O-CB 3Å; L356-L359 PolarHBondContact O-N 2.96Å; L356-L359 VanDerWaalsContact O-N 3.14Å; L356-L370 HydrophobicContact CD1-CD1 4.43Å; L356-I374 HydrophobicContact CD2-CD1 4.12Å; L356-I374 HydrophobicContact CD2-CG1 3.72Å; L356-I374 HydrophobicContact CG-CD1 3.96Å; L356-I374 HydrophobicContact CG-CG1 4.12Å; L356-L410 HydrophobicContact CB-CD1 3.88Å; L356-L410 HydrophobicContact CD1-CD1 4.24Å; L356-L410 HydrophobicContact CD1-CD2 4.41Å
357R87.1Confident81Confident134 Ų13461 Ų6151%0.50633%0.326SS..Hα-helixtrans-63.1-26.7170.4-73.2164.1-173.2162.94.5111.7L353 E354 L359 L360 I374L353-R357 WeakPolarHBondContact O-CD 3.32Å; L353-R357 WeakPolarHBondContact O-CG 3.48Å; L353-R357 PolarHBondContact O-N 2.93Å; L353-R357 VanDerWaalsContact O-N 3.11Å; E354-R357 WeakPolarHBondContact O-CB 3.23Å; E354-R357 PolarHBondContact O-N 3.31Å; R357-L359 PolarHBondContact O-N 3Å; R357-L360 HydrophobicContact CB-CD1 4.32Å; R357-L360 HydrophobicContact CG-CD1 4.35Å; R357-L360 VanDerWaalsContact O-CB 3.26Å; R357-L360 WeakPolarHBondContact O-CB 3.39Å; R357-L360 WeakPolarHBondContact O-CG 3.47Å; R357-L360 PolarHBondContact O-N 2.88Å; R357-I374 HydrophobicContact CG-CD1 4.46Å
358G84.2Confident80.4Confident50 Ų5059.7 Ų59.752%0.51532%0.323SS..THydrogen-bonded Turntrans-58.8-20.4171.900000114.8E354 D355 L356 L360E354-G358 PolarHBondContact O-N 2.91Å; D355-G358 WeakPolarHBondContact O-CA 3.32Å; D355-G358 PolarHBondContact O-N 3.33Å; D355-G358 VanDerWaalsContact O-N 3.11Å; L356-G358 PolarHBondContact O-N 3.12Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.07Å
359L85.1Confident80.2Confident4 Ų464.3 Ų64.32%0.02134%0.342CS..THydrogen-bonded Turntrans-73.9-17.1173.5-60.5-175.8000113.6R321 L324 R325 Y328 L356 R357 L361 L370 L410 L413R321-L359 HydrophobicContact CG-CD2 3.8Å; L324-L359 HydrophobicContact CB-CD1 4.19Å; R325-L359 HydrophobicContact CG-CB 3.95Å; R325-L359 HydrophobicContact CG-CD1 4.21Å; R325-L359 PolarHBondContact NE-O 3.15Å; R325-L359 PolarHBondContact NH2-O 2.7Å; R325-L359 VanDerWaalsContact NH2-O 3.11Å; Y328-L359 HydrophobicContact CD2-CD1 3.77Å; Y328-L359 HydrophobicContact CE2-CD1 4.25Å; L356-L359 HydrophobicContact CD1-CD1 4.15Å; L356-L359 WeakPolarHBondContact O-CB 3Å; L356-L359 PolarHBondContact O-N 2.96Å; L356-L359 VanDerWaalsContact O-N 3.14Å; R357-L359 PolarHBondContact O-N 3Å; L359-L361 PolarHBondContact O-N 3.39Å; L359-L361 VanDerWaalsContact O-N 3.14Å; L359-L370 HydrophobicContact CB-CD2 3.78Å; L359-L370 HydrophobicContact CD1-CD2 4.02Å; L359-L410 HydrophobicContact CD1-CD2 3.72Å; L359-L410 HydrophobicContact CD2-CD2 3.97Å; L359-L410 HydrophobicContact CG-CD2 3.83Å; L359-L413 HydrophobicContact CD2-CD2 3.61Å
360L80Confident80Confident52 Ų5264.3 Ų64.327%0.27234%0.342SS..  trans-79.491.6-174.1-58.4172.7000110.8R357 G358 A367 L370 I374R357-L360 HydrophobicContact CB-CD1 4.32Å; R357-L360 HydrophobicContact CG-CD1 4.35Å; R357-L360 VanDerWaalsContact O-CB 3.26Å; R357-L360 WeakPolarHBondContact O-CB 3.39Å; R357-L360 WeakPolarHBondContact O-CG 3.47Å; R357-L360 PolarHBondContact O-N 2.88Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.07Å; L360-A367 HydrophobicContact CD2-CB 4.01Å; L360-A367 VanDerWaalsContact CD2-O 3.31Å; L360-A367 WeakPolarHBondContact CD2-O 3.38Å; L360-L370 HydrophobicContact CD2-CB 3.94Å; L360-L370 HydrophobicContact CD2-CD2 3.92Å; L360-L370 HydrophobicContact CD2-CG 3.94Å; L360-I374 HydrophobicContact CD1-CD1 4.13Å; L360-I374 HydrophobicContact CD2-CD1 4.44Å; L360-I374 HydrophobicContact CG-CD1 4.46Å
361L70.5Confident79.8Confident66 Ų6664.2 Ų64.235%0.34635%0.346SS..  trans-77.6141.4171.6-94.357.9000110.9L359L359-L361 PolarHBondContact O-N 3.39Å; L359-L361 VanDerWaalsContact O-N 3.14Å
362P58.5Low79.6Confident111 Ų11166.8 Ų66.872%0.72136%0.356SS*.THydrogen-bonded Turntrans-56.8144.9169-23.834.2000112.2D364P362-D364 VanDerWaalsContact C-N 3.27Å; P362-D364 PolarHBondContact O-N 3.24Å
363N60.4Low79.4Confident174 Ų17466.8 Ų66.893%0.9336%0.356SS*.THydrogen-bonded Turntrans702.9177.3-46-44000117
364D63.4Low79.4Confident42 Ų4266.8 Ų66.823%0.22536%0.356CS..  trans-85.6126.7175.9-168.8-35.7000111.5R325 P362 R366 A367R325-D364 IonicContact CZ-OD2 2.72Å; R325-D364 IonicContact NH1-OD2 3.65Å; R325-D364 PolarHBondContact NH1-OD2 3.2Å; R325-D364 IonicContact NH2-OD2 2.73Å; P362-D364 VanDerWaalsContact C-N 3.27Å; P362-D364 PolarHBondContact O-N 3.24Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.29Å; D364-R366 WeakPolarHBondContact OD1-CB 3.48Å; D364-R366 PolarHBondContact OD1-N 2.95Å; D364-A367 HydrophobicContact CB-CB 3.85Å; D364-A367 PolarHBondContact O-N 3.15Å; D364-A367 PolarHBondContact OD1-N 2.9Å
365T65.4Low79.4Confident109 Ų10968.5 Ų68.567%0.66936%0.358SS*.Hα-helixtrans-66.9-33.9178.450.20000112.6T368T365-T368 WeakPolarHBondContact O-CB 3.38Å; T365-T368 WeakPolarHBondContact O-CG2 3.48Å; T365-T368 PolarHBondContact O-N 3.21Å; T365-T368 VanDerWaalsContact O-N 3.11Å; T365-T368 PolarHBondContact O-OG1 2.67Å
366R66.1Low79.4Confident125 Ų12569.2 Ų69.247%0.47237%0.366SS..Hα-helixtrans-76.8-25.3179.3-57.1177.2-172.2-177.84.1112E322 D364 T368 E369 L370E322-R366 WeakPolarHBondContact OE1-CD 3.38Å; E322-R366 IonicContact OE1-CZ 3.21Å; E322-R366 IonicContact OE1-NE 2.72Å; E322-R366 IonicContact OE1-NH1 2.76Å; E322-R366 PolarHBondContact OE1-NH1 3.29Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.29Å; D364-R366 WeakPolarHBondContact OD1-CB 3.48Å; D364-R366 PolarHBondContact OD1-N 2.95Å; R366-T368 PolarHBondContact O-N 2.62Å; R366-E369 WeakPolarHBondContact O-CB 3.4Å; R366-E369 PolarHBondContact O-N 3.48Å; R366-E369 VanDerWaalsContact O-N 3.08Å; R366-L370 PolarHBondContact O-N 2.91Å; R366-L370 VanDerWaalsContact O-N 3.08Å
367A70.8Confident79.4Confident10 Ų1069.2 Ų69.28%0.08337%0.366CS..Hα-helixtrans-61.7-24.316700000111.9L360 D364 S371L360-A367 HydrophobicContact CD2-CB 4.01Å; L360-A367 VanDerWaalsContact CD2-O 3.31Å; L360-A367 WeakPolarHBondContact CD2-O 3.38Å; D364-A367 HydrophobicContact CB-CB 3.85Å; D364-A367 PolarHBondContact O-N 3.15Å; D364-A367 PolarHBondContact OD1-N 2.9Å; A367-S371 WeakPolarHBondContact O-CB 3.44Å; A367-S371 PolarHBondContact O-N 3.25Å
368T78Confident79.5Confident76 Ų7665.2 Ų65.247%0.46636%0.357SS..Hα-helixtrans-71.4-32.8172.679.40000112.7T365 R366 Q372T365-T368 WeakPolarHBondContact O-CB 3.38Å; T365-T368 WeakPolarHBondContact O-CG2 3.48Å; T365-T368 PolarHBondContact O-N 3.21Å; T365-T368 VanDerWaalsContact O-N 3.11Å; T365-T368 PolarHBondContact O-OG1 2.67Å; R366-T368 PolarHBondContact O-N 2.62Å; T368-Q372 VanDerWaalsContact O-CG 3.28Å; T368-Q372 WeakPolarHBondContact O-CG 3.45Å; T368-Q372 PolarHBondContact O-N 2.7Å; T368-Q372 VanDerWaalsContact O-N 3.07Å; T368-Q372 PolarHBondContact O-NE2 2.89Å
369E82.6Confident79.8Confident109 Ų10968.1 Ų68.151%0.50936%0.36SS..Hα-helixtrans-69.2-47.2174.3-59.4173.7179.600110.5R366 S371 Q372 A373R366-E369 WeakPolarHBondContact O-CB 3.4Å; R366-E369 PolarHBondContact O-N 3.48Å; R366-E369 VanDerWaalsContact O-N 3.08Å; E369-S371 VanDerWaalsContact C-N 3.33Å; E369-S371 PolarHBondContact O-N 2.88Å; E369-Q372 PolarHBondContact O-N 3.29Å; E369-A373 WeakPolarHBondContact O-CB 3.46Å; E369-A373 PolarHBondContact O-N 3.43Å
370L87.8Confident79.9Confident0 Ų072.1 Ų72.10%038%0.375CS..Hα-helixtrans-63.5-39.7176.8-178.560.1000111.6R325 S329 L332 L356 L359 L360 R366 Q372 A373 I374R325-L370 HydrophobicContact CB-CD2 4.25Å; R325-L370 HydrophobicContact CG-CD2 3.95Å; S329-L370 VanDerWaalsContact OG-CA 3.28Å; S329-L370 WeakPolarHBondContact OG-CA 3.49Å; S329-L370 WeakPolarHBondContact OG-CB 3.43Å; S329-L370 PolarHBondContact OG-N 3.44Å; L332-L370 HydrophobicContact CD1-CD1 4.03Å; L356-L370 HydrophobicContact CD1-CD1 4.43Å; L359-L370 HydrophobicContact CB-CD2 3.78Å; L359-L370 HydrophobicContact CD1-CD2 4.02Å; L360-L370 HydrophobicContact CD2-CB 3.94Å; L360-L370 HydrophobicContact CD2-CD2 3.92Å; L360-L370 HydrophobicContact CD2-CG 3.94Å; R366-L370 PolarHBondContact O-N 2.91Å; R366-L370 VanDerWaalsContact O-N 3.08Å; L370-Q372 PolarHBondContact O-N 3.15Å; L370-A373 PolarHBondContact O-N 2.78Å; L370-I374 HydrophobicContact CD1-CD1 4.2Å; L370-I374 HydrophobicContact CD1-CG1 4.22Å; L370-I374 HydrophobicContact CD2-CD1 4.47Å; L370-I374 HydrophobicContact CG-CD1 3.84Å; L370-I374 HydrophobicContact CG-CG1 4.34Å; L370-I374 WeakPolarHBondContact O-CB 3.43Å; L370-I374 WeakPolarHBondContact O-CG1 3.39Å; L370-I374 PolarHBondContact O-N 3.16Å
371S86.3Confident80.4Confident60 Ų6070.9 Ų70.942%0.4237%0.369SS..Hα-helixtrans-62.8-40.5175.7-174.40000112.2A367 E369 Y375A367-S371 WeakPolarHBondContact O-CB 3.44Å; A367-S371 PolarHBondContact O-N 3.25Å; E369-S371 VanDerWaalsContact C-N 3.33Å; E369-S371 PolarHBondContact O-N 2.88Å; S371-Y375 WeakPolarHBondContact O-CB 3.24Å; S371-Y375 PolarHBondContact O-N 3.22Å
372Q88.8Confident81.1Confident127 Ų12772.3 Ų72.359%0.59337%0.372SS*.Hα-helixtrans-64.1-43.2172.5-75.5167.776.700112T368 E369 L370 Y375 A376T368-Q372 VanDerWaalsContact O-CG 3.28Å; T368-Q372 WeakPolarHBondContact O-CG 3.45Å; T368-Q372 PolarHBondContact O-N 2.7Å; T368-Q372 VanDerWaalsContact O-N 3.07Å; T368-Q372 PolarHBondContact O-NE2 2.89Å; E369-Q372 PolarHBondContact O-N 3.29Å; L370-Q372 PolarHBondContact O-N 3.15Å; Q372-Y375 PolarHBondContact O-N 3.3Å; Q372-A376 WeakPolarHBondContact O-CB 3.45Å; Q372-A376 PolarHBondContact O-N 3.23Å
373A90Very high82.1Confident0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-66.7-40.6178.600000112.6L332 N333 E369 L370 Y375 A376 F377L332-A373 HydrophobicContact CB-CB 4.01Å; N333-A373 VanDerWaalsContact OD1-CA 3.29Å; N333-A373 WeakPolarHBondContact OD1-CA 3.31Å; N333-A373 VanDerWaalsContact OD1-CB 3.32Å; N333-A373 WeakPolarHBondContact OD1-CB 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.46Å; E369-A373 PolarHBondContact O-N 3.43Å; L370-A373 PolarHBondContact O-N 2.78Å; A373-Y375 VanDerWaalsContact C-N 3.33Å; A373-Y375 PolarHBondContact O-N 3.14Å; A373-A376 PolarHBondContact O-N 3.32Å; A373-F377 VanDerWaalsContact O-CB 3.25Å; A373-F377 WeakPolarHBondContact O-CB 3.32Å; A373-F377 PolarHBondContact O-N 2.93Å
374I91.4Very high82.6Confident10 Ų1064.3 Ų64.35%0.05132%0.323CS..Hα-helixtrans-59-45.3171.2-71.3165.3000110.2L332 L356 R357 L360 L370 T378L332-I374 HydrophobicContact CD1-CG1 4.14Å; L356-I374 HydrophobicContact CD2-CD1 4.12Å; L356-I374 HydrophobicContact CD2-CG1 3.72Å; L356-I374 HydrophobicContact CG-CD1 3.96Å; L356-I374 HydrophobicContact CG-CG1 4.12Å; R357-I374 HydrophobicContact CG-CD1 4.46Å; L360-I374 HydrophobicContact CD1-CD1 4.13Å; L360-I374 HydrophobicContact CD2-CD1 4.44Å; L360-I374 HydrophobicContact CG-CD1 4.46Å; L370-I374 HydrophobicContact CD1-CD1 4.2Å; L370-I374 HydrophobicContact CD1-CG1 4.22Å; L370-I374 HydrophobicContact CD2-CD1 4.47Å; L370-I374 HydrophobicContact CG-CD1 3.84Å; L370-I374 HydrophobicContact CG-CG1 4.34Å; L370-I374 WeakPolarHBondContact O-CB 3.43Å; L370-I374 WeakPolarHBondContact O-CG1 3.39Å; L370-I374 PolarHBondContact O-N 3.16Å; I374-T378 VanDerWaalsContact O-CB 3.25Å; I374-T378 WeakPolarHBondContact O-CB 3.33Å; I374-T378 PolarHBondContact O-N 3.47Å; I374-T378 PolarHBondContact O-OG1 3Å
375Y89.6Confident82.5Confident164 Ų16466.8 Ų66.864%0.64334%0.336SS*.Hα-helixtrans-62.4-51.6177.8-177.6-83.8000111.5S371 Q372 A373 F377 T378 D379S371-Y375 WeakPolarHBondContact O-CB 3.24Å; S371-Y375 PolarHBondContact O-N 3.22Å; Q372-Y375 PolarHBondContact O-N 3.3Å; A373-Y375 VanDerWaalsContact C-N 3.33Å; A373-Y375 PolarHBondContact O-N 3.14Å; Y375-F377 VanDerWaalsContact C-N 3.32Å; Y375-F377 PolarHBondContact O-N 3.05Å; Y375-T378 PolarHBondContact O-N 2.91Å; Y375-T378 VanDerWaalsContact O-N 3.14Å; Y375-D379 HydrophobicContact CE1-CB 4.38Å; Y375-D379 WeakPolarHBondContact O-CB 3.28Å; Y375-D379 PolarHBondContact O-N 3.34Å
376A89.5Confident82Confident30 Ų3069.3 Ų69.325%0.24834%0.344CS..Hα-helixtrans-61.8-37.2-178.500000112.9A336 Q372 A373 R380A336-A376 HydrophobicContact CB-CB 4.07Å; Q372-A376 WeakPolarHBondContact O-CB 3.45Å; Q372-A376 PolarHBondContact O-N 3.23Å; A373-A376 PolarHBondContact O-N 3.32Å; A376-R380 WeakPolarHBondContact O-CD 3.4Å
377F92Very high81.4Confident0 Ų071 Ų710%036%0.362CS..Hα-helixtrans-66.5-48.1171.6178.3-101.6000111.7L332 M335 I341 M349 F352 L353 A373 Y375 D379 R380 L381 L398L332-F377 HydrophobicContact CB-CB 4.17Å; L332-F377 HydrophobicContact CD2-CB 4.06Å; L332-F377 HydrophobicContact CD2-CD1 3.77Å; L332-F377 HydrophobicContact CD2-CD2 3.74Å; L332-F377 HydrophobicContact CD2-CE1 4.07Å; L332-F377 HydrophobicContact CD2-CE2 4.07Å; L332-F377 HydrophobicContact CD2-CG 3.59Å; L332-F377 HydrophobicContact CD2-CZ 4.22Å; M335-F377 HydrophobicContact CB-CD2 4.15Å; M335-F377 HydrophobicContact CB-CE2 4.23Å; M335-F377 HydrophobicContact CE-CD2 3.95Å; M335-F377 HydrophobicContact CE-CE2 3.47Å; M335-F377 VanDerWaalsContact CE-CE2 3.47Å; M335-F377 HydrophobicContact CE-CZ 4.25Å; M335-F377 HydrophobicContact SD-CE2 4.09Å; I341-F377 HydrophobicContact CD1-CD2 3.31Å; I341-F377 HydrophobicContact CD1-CE2 3.58Å; I341-F377 HydrophobicContact CD1-CG 4.19Å; I341-F377 HydrophobicContact CG2-CE2 4.06Å; I341-F377 HydrophobicContact CG2-CZ 4.48Å; M349-F377 HydrophobicContact CE-CE1 4.45Å; M349-F377 HydrophobicContact CE-CZ 4.19Å; M349-F377 HydrophobicContact SD-CE1 3.95Å; M349-F377 HydrophobicContact SD-CZ 4.24Å; F352-F377 HydrophobicContact CE1-CE1 4.35Å; L353-F377 HydrophobicContact CD2-CD1 4.15Å; L353-F377 HydrophobicContact CD2-CE1 4.13Å; A373-F377 VanDerWaalsContact O-CB 3.25Å; A373-F377 WeakPolarHBondContact O-CB 3.32Å; A373-F377 PolarHBondContact O-N 2.93Å; Y375-F377 VanDerWaalsContact C-N 3.32Å; Y375-F377 PolarHBondContact O-N 3.05Å; F377-D379 PolarHBondContact O-N 3.19Å; F377-R380 PolarHBondContact O-N 2.84Å; F377-L381 HydrophobicContact CD1-CD1 4.06Å; F377-L381 HydrophobicContact CD1-CG 4.23Å; F377-L381 HydrophobicContact CE1-CD1 3.77Å; F377-L381 HydrophobicContact CE1-CD2 3.91Å; F377-L381 HydrophobicContact CE1-CG 4.03Å; F377-L381 HydrophobicContact CE2-CD2 4.49Å; F377-L381 HydrophobicContact CZ-CD2 3.88Å; F377-L381 HydrophobicContact CZ-CG 4.45Å; F377-L381 PolarHBondContact O-N 3.04Å; F377-L398 HydrophobicContact CE2-CD1 4.15Å; F377-L398 HydrophobicContact CZ-CD1 3.88Å
378T89.9Confident80.2Confident50 Ų5079.1 Ų79.131%0.30739%0.391SS..Hα-helixtrans-66.8-37.8-175.8-54.50000112.7I374 Y375 R380 L381I374-T378 VanDerWaalsContact O-CB 3.25Å; I374-T378 WeakPolarHBondContact O-CB 3.33Å; I374-T378 PolarHBondContact O-N 3.47Å; I374-T378 PolarHBondContact O-OG1 3Å; Y375-T378 PolarHBondContact O-N 2.91Å; Y375-T378 VanDerWaalsContact O-N 3.14Å; T378-R380 PolarHBondContact O-N 3.02Å; T378-L381 WeakPolarHBondContact O-CB 3.44Å; T378-L381 PolarHBondContact O-N 3.2Å; T378-L381 VanDerWaalsContact O-N 3.15Å
379D89.7Confident78.7Confident111 Ų11185 Ų8559%0.59441%0.413SS*.Hα-helixtrans-57.8-28175.2-173.871.7000112.6Y375 F377Y375-D379 HydrophobicContact CE1-CB 4.38Å; Y375-D379 WeakPolarHBondContact O-CB 3.28Å; Y375-D379 PolarHBondContact O-N 3.34Å; F377-D379 PolarHBondContact O-N 3.19Å
380R88.3Confident76.9Confident89 Ų8990.7 Ų90.734%0.33643%0.43SS..THydrogen-bonded Turntrans-98.9-4.6-178.6-67.6164.7176.8-96.94.9114A336 G339 I341 A376 F377 T378 K382A336-R380 WeakPolarHBondContact O-CD 3.41Å; A336-R380 PolarHBondContact O-NE 3.41Å; A336-R380 VanDerWaalsContact O-NE 3.16Å; A336-R380 PolarHBondContact O-NH1 2.73Å; G339-R380 WeakPolarHBondContact O-CD 3.46Å; G339-R380 PolarHBondContact O-NH1 2.94Å; I341-R380 HydrophobicContact CD1-CB 4.18Å; I341-R380 HydrophobicContact CG1-CB 4.06Å; I341-R380 PolarHBondContact N-O 2.92Å; A376-R380 WeakPolarHBondContact O-CD 3.4Å; F377-R380 PolarHBondContact O-N 2.84Å; T378-R380 PolarHBondContact O-N 3.02Å; R380-K382 PolarHBondContact O-N 3.32Å
381L88.5Confident75Confident26 Ų2694.6 Ų94.614%0.13646%0.457CS..EExtended strand (participates in β ladder)trans-71.9119.5178.5-79.6178.8000111.8I341 Y343 M349 L353 F377 T378I341-L381 HydrophobicContact CB-CD2 4.12Å; I341-L381 HydrophobicContact CG2-CD2 3.75Å; I341-L381 CarbonylContact O-C 3.54Å; I341-L381 WeakPolarHBondContact O-CA 3.21Å; Y343-L381 HydrophobicContact CD1-CB 4.33Å; Y343-L381 HydrophobicContact CD1-CD2 3.83Å; Y343-L381 HydrophobicContact CE1-CB 3.9Å; Y343-L381 HydrophobicContact CE1-CD2 4.17Å; Y343-L381 HydrophobicContact CE1-CG 4.48Å; Y343-L381 HydrophobicContact CG-CD2 4.4Å; M349-L381 HydrophobicContact CE-CD2 3.82Å; M349-L381 HydrophobicContact CG-CD1 3.95Å; M349-L381 HydrophobicContact SD-CD1 4.05Å; M349-L381 HydrophobicContact SD-CD2 4.32Å; L353-L381 HydrophobicContact CD1-CD1 3.83Å; F377-L381 HydrophobicContact CD1-CD1 4.06Å; F377-L381 HydrophobicContact CD1-CG 4.23Å; F377-L381 HydrophobicContact CE1-CD1 3.77Å; F377-L381 HydrophobicContact CE1-CD2 3.91Å; F377-L381 HydrophobicContact CE1-CG 4.03Å; F377-L381 HydrophobicContact CE2-CD2 4.49Å; F377-L381 HydrophobicContact CZ-CD2 3.88Å; F377-L381 HydrophobicContact CZ-CG 4.45Å; F377-L381 PolarHBondContact O-N 3.04Å; T378-L381 WeakPolarHBondContact O-CB 3.44Å; T378-L381 PolarHBondContact O-N 3.2Å; T378-L381 VanDerWaalsContact O-N 3.15Å
382K85.2Confident73.2Confident96 Ų9694.6 Ų94.642%0.41746%0.455SS..EExtended strand (participates in β ladder)trans-124123.1176.9-76.5160.4175.5164.50109.8D340 I341 Q342 Y343 R380 T384D340-K382 HydrophobicContact CB-CD 4.3Å; D340-K382 IonicContact OD1-NZ 2.97Å; D340-K382 PolarHBondContact OD1-NZ 3.15Å; D340-K382 WeakPolarHBondContact OD2-CD 3.29Å; D340-K382 IonicContact OD2-NZ 2.61Å; D340-K382 PolarHBondContact OD2-NZ 3.47Å; I341-K382 PolarHBondContact O-N 2.94Å; Q342-K382 VanDerWaalsContact CA-O 3.29Å; Q342-K382 WeakPolarHBondContact CA-O 3.43Å; Y343-K382 VanDerWaalsContact CD1-O 3.3Å; Y343-K382 WeakPolarHBondContact CD1-O 3.36Å; Y343-K382 PolarHBondContact N-O 2.98Å; Y343-K382 VanDerWaalsContact N-O 3.17Å; R380-K382 PolarHBondContact O-N 3.32Å; K382-T384 PolarHBondContact O-N 3.29Å
383M80.1Confident71.2Confident86 Ų8697.8 Ų97.842%0.42447%0.47SS..EExtended strand (participates in β ladder)trans-59.7136.4170.9-91.9-63.3-55.800109.6Y343 K346 D385Y343-M383 HydrophobicContact CD2-SD 3.99Å; Y343-M383 HydrophobicContact CE1-CG 4.1Å; Y343-M383 HydrophobicContact CE1-SD 4.24Å; Y343-M383 HydrophobicContact CE2-CG 4.29Å; Y343-M383 HydrophobicContact CE2-SD 3.58Å; Y343-M383 VanDerWaalsContact CE2-SD 3.58Å; Y343-M383 HydrophobicContact CG-SD 4.49Å; K346-M383 HydrophobicContact CB-SD 3.97Å; K346-M383 HydrophobicContact CG-SD 4.3Å; M383-D385 PolarHBondContact O-N 3.02Å
384T70.9Confident69.6Low31 Ų31101 Ų10119%0.1950%0.503CS..  trans-72.6111.9173.4-53.40000110.1Y343 K382 I386 F397Y343-T384 PolarHBondContact O-N 3.43Å; Y343-T384 VanDerWaalsContact O-N 3.08Å; Y343-T384 PolarHBondContact O-OG1 3.06Å; K382-T384 PolarHBondContact O-N 3.29Å; T384-I386 PolarHBondContact O-N 2.94Å; T384-F397 HydrophobicContact CG2-CE2 4.12Å; T384-F397 WeakPolarHBondContact OG1-CE2 3.49Å
385D61.4Low68.4Low94 Ų94102.4 Ų102.450%0.50352%0.52SS..  trans-58.4109.1166.6-92.3-27.8000109.2M383 N387 R388M383-D385 PolarHBondContact O-N 3.02Å; D385-N387 PolarHBondContact O-N 3.49Å; D385-R388 HydrophobicContact CB-CB 3.87Å; D385-R388 HydrophobicContact CB-CG 4.08Å; D385-R388 PolarHBondContact O-N 2.84Å; D385-R388 WeakPolarHBondContact OD2-CD 3.47Å; D385-R388 IonicContact OD2-NE 2.68Å; D385-R388 IonicContact OD2-NH1 2.65Å
386I56.2Low67.7Low161 Ų16196.1 Ų96.183%0.82650%0.499SS*.THydrogen-bonded Turntrans-53.5-32179.1-60173.4000111.2T384 R388T384-I386 PolarHBondContact O-N 2.94Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.12Å
387N51.5Low67.3Low160 Ų16099 Ų9986%0.85651%0.506SS*.THydrogen-bonded Turntrans-84.26.3-179.8-63.5-26.2000114.5D385D385-N387 PolarHBondContact O-N 3.49Å
388R47.5Very low67.1Low182 Ų18299.2 Ų99.269%0.68751%0.507SS*.  trans-130.779-178-71.2-175.8167.8172.3-7112.8D385 I386 R390D385-R388 HydrophobicContact CB-CB 3.87Å; D385-R388 HydrophobicContact CB-CG 4.08Å; D385-R388 PolarHBondContact O-N 2.84Å; D385-R388 WeakPolarHBondContact OD2-CD 3.47Å; D385-R388 IonicContact OD2-NE 2.68Å; D385-R388 IonicContact OD2-NH1 2.65Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.12Å; R388-R390 PolarHBondContact O-N 2.66Å
389Q46.6Very low67Low198 Ų198103 Ų10393%0.92552%0.515SS*.  trans-64.414.5171.1-72.5-173.8-24.400115.6S391Q389-S391 PolarHBondContact O-N 3.03Å
390R43.5Very low66.8Low230 Ų230102.2 Ų102.287%0.86851%0.508SS*.  trans-85.492.9167.4-86.6-172.3171173.7-2109.4R388 P392R388-R390 PolarHBondContact O-N 2.66Å; R390-P392 WeakPolarHBondContact O-CD 3.47Å
391S47.7Very low66.8Low81 Ų81104.4 Ų104.457%0.56652%0.522SS*.  trans-55.6123.8163.655.40000109.8Q389 H393Q389-S391 PolarHBondContact O-N 3.03Å; S391-H393 PolarHBondContact O-N 2.8Å
392P49.3Very low66.8Low60 Ų60103.9 Ų103.939%0.3952%0.52SS..  trans-59.6131.7166.6-19.932.7000109.3R390 G394R390-P392 WeakPolarHBondContact O-CD 3.47Å; P392-G394 PolarHBondContact O-N 3.27Å
393H47.2Very low67.1Low194 Ų19499.3 Ų99.390%0.89850%0.5SS*.THydrogen-bonded Turntrans-71.1103.1176.3-62.1-66.1000109.4S391S391-H393 PolarHBondContact O-N 2.8Å
394G55.8Low67.6Low68 Ų6898.4 Ų98.470%0.70150%0.499SS*.THydrogen-bonded Turntrans98.959.1179.400000114.3P392P392-G394 PolarHBondContact O-N 3.27Å
395G65.1Low68.5Low39 Ų3997.9 Ų97.940%0.40250%0.496SS..EExtended strand (participates in β ladder)trans-139.4156.5167.900000111.5D340D340-G395 CarbonylContact O-C 3.44Å; D340-G395 WeakPolarHBondContact O-CA 3.43Å
396V76.6Confident70.1Confident33 Ų3393.4 Ų93.420%0.247%0.472CS..EExtended strand (participates in β ladder)trans-79.8130.9177.2-178.80000109M335 N338 D340 I341 Q342 L398M335-V396 HydrophobicContact CG-CG1 4.49Å; M335-V396 HydrophobicContact SD-CG1 4.46Å; N338-V396 HydrophobicContact CB-CG2 3.64Å; D340-V396 PolarHBondContact O-N 3.4Å; I341-V396 CarbonylContact C-O 3.53Å; I341-V396 WeakPolarHBondContact CA-O 3.47Å; I341-V396 HydrophobicContact CG1-CB 4.34Å; I341-V396 HydrophobicContact CG2-CB 4.27Å; I341-V396 HydrophobicContact CG2-CG1 4.42Å; Q342-V396 PolarHBondContact N-O 3.2Å; V396-L398 HydrophobicContact CG1-CD2 4.13Å; V396-L398 HydrophobicContact CG1-CG 4.25Å
397F80.8Confident71.9Confident91 Ų9186.8 Ų86.840%0.39944%0.438SS..EExtended strand (participates in β ladder)trans-114.4117.5178.5-169.3-92.8000111Q342 Q344 T384 R399Q342-F397 HydrophobicContact CB-CD2 3.76Å; Q342-F397 HydrophobicContact CB-CE2 4.26Å; Q342-F397 WeakPolarHBondContact O-CA 3.41Å; Q344-F397 HydrophobicContact CG-CE1 3.8Å; Q344-F397 HydrophobicContact CG-CE2 4.47Å; Q344-F397 HydrophobicContact CG-CZ 3.52Å; T384-F397 HydrophobicContact CG2-CE2 4.12Å; T384-F397 WeakPolarHBondContact OG1-CE2 3.49Å; F397-R399 HydrophobicContact CD1-CG 4.01Å; F397-R399 HydrophobicContact CE1-CG 3.8Å
398L87.5Confident73.9Confident3 Ų380.5 Ų80.52%0.01641%0.406CS..EExtended strand (participates in β ladder)trans-107.4107.2-177-62.2175.7000110.4M335 I341 Q342 Y343 Q344 M349 F377 V396 D402 I403 M406M335-L398 HydrophobicContact SD-CD2 4.33Å; I341-L398 HydrophobicContact CG2-CD1 3.65Å; I341-L398 HydrophobicContact CG2-CG 4.18Å; Q342-L398 PolarHBondContact O-N 2.82Å; Y343-L398 WeakPolarHBondContact CA-O 2.99Å; Q344-L398 PolarHBondContact N-O 3.29Å; Q344-L398 VanDerWaalsContact N-O 3.16Å; M349-L398 HydrophobicContact CE-CD1 3.74Å; F377-L398 HydrophobicContact CE2-CD1 4.15Å; F377-L398 HydrophobicContact CZ-CD1 3.88Å; V396-L398 HydrophobicContact CG1-CD2 4.13Å; V396-L398 HydrophobicContact CG1-CG 4.25Å; L398-D402 HydrophobicContact CD2-CB 4.22Å; L398-I403 HydrophobicContact CB-CG1 4.2Å; L398-M406 HydrophobicContact CD1-CE 3.95Å; L398-M406 HydrophobicContact CD2-CE 4.31Å
399R87.8Confident76.2Confident130 Ų13071.9 Ų71.949%0.49137%0.374SS..  trans-75.3164.7171.2-55.9162.3-64169.57.8109.8Q344 F397 Q401 D402 I403Q344-R399 VanDerWaalsContact OE1-CB 3.28Å; F397-R399 HydrophobicContact CD1-CG 4.01Å; F397-R399 HydrophobicContact CE1-CG 3.8Å; R399-Q401 VanDerWaalsContact C-N 3.25Å; R399-Q401 PolarHBondContact O-N 3.03Å; R399-D402 WeakPolarHBondContact CB-OD2 3.26Å; R399-D402 WeakPolarHBondContact CG-OD2 3.04Å; R399-D402 IonicContact CZ-OD1 3.5Å; R399-D402 IonicContact CZ-OD2 3.97Å; R399-D402 PolarHBondContact N-OD2 3.4Å; R399-D402 IonicContact NE-OD1 2.77Å; R399-D402 IonicContact NE-OD2 2.7Å; R399-D402 PolarHBondContact NE-OD2 3.38Å; R399-D402 IonicContact NH2-OD1 3.36Å; R399-D402 PolarHBondContact NH2-OD1 3.07Å; R399-D402 IonicContact NH2-OD2 3.56Å; R399-D402 PolarHBondContact NH2-OD2 2.91Å; R399-D402 WeakPolarHBondContact O-CB 3.46Å; R399-D402 PolarHBondContact O-N 3.43Å; R399-I403 WeakPolarHBondContact O-CG1 3.28Å; R399-I403 PolarHBondContact O-N 3Å; R399-I403 VanDerWaalsContact O-N 3.08Å
400E86.2Confident78.6Confident94 Ų9462.8 Ų62.844%0.43933%0.332SS..Hα-helixtrans-53.1-43.5175.3-174.4170.2-16700112.5H345 D402 I403 V404H345-E400 HydrophobicContact CB-CB 4.01Å; H345-E400 HydrophobicContact CB-CG 4.04Å; H345-E400 IonicContact CE1-OE1 2.7Å; H345-E400 PolarHBondContact CE1-OE1 2.78Å; H345-E400 IonicContact CG-OE1 2.89Å; H345-E400 IonicContact ND1-OE1 3.19Å; H345-E400 PolarHBondContact ND1-OE1 2.79Å; E400-D402 VanDerWaalsContact C-N 3.27Å; E400-D402 PolarHBondContact O-N 3.49Å; E400-I403 PolarHBondContact O-N 3.49Å; E400-V404 HydrophobicContact CG-CG2 4.38Å; E400-V404 WeakPolarHBondContact O-CG2 3.19Å; E400-V404 PolarHBondContact O-N 3.2Å
401Q87.3Confident81Confident135 Ų13555 Ų5563%0.63131%0.307SS*.Hα-helixtrans-61.1-32.4176.4-171.861.429.900113.5R399 C405R399-Q401 VanDerWaalsContact C-N 3.25Å; R399-Q401 PolarHBondContact O-N 3.03Å; Q401-C405 VanDerWaalsContact O-CB 3.27Å; Q401-C405 WeakPolarHBondContact O-CB 3.27Å; Q401-C405 PolarHBondContact O-N 3.4Å
402D89.5Confident83.2Confident16 Ų1655.7 Ų55.79%0.08630%0.297CS..Hα-helixtrans-73.4-40.2177.9-55.1-48.1000110.3L182 L398 R399 E400 C405 M406L182-D402 HydrophobicContact CD1-CB 4.36Å; L182-D402 WeakPolarHBondContact CD1-O 3.29Å; L182-D402 HydrophobicContact CD2-CB 3.83Å; L398-D402 HydrophobicContact CD2-CB 4.22Å; R399-D402 WeakPolarHBondContact CB-OD2 3.26Å; R399-D402 WeakPolarHBondContact CG-OD2 3.04Å; R399-D402 IonicContact CZ-OD1 3.5Å; R399-D402 IonicContact CZ-OD2 3.97Å; R399-D402 PolarHBondContact N-OD2 3.4Å; R399-D402 IonicContact NE-OD1 2.77Å; R399-D402 IonicContact NE-OD2 2.7Å; R399-D402 PolarHBondContact NE-OD2 3.38Å; R399-D402 IonicContact NH2-OD1 3.36Å; R399-D402 PolarHBondContact NH2-OD1 3.07Å; R399-D402 IonicContact NH2-OD2 3.56Å; R399-D402 PolarHBondContact NH2-OD2 2.91Å; R399-D402 WeakPolarHBondContact O-CB 3.46Å; R399-D402 PolarHBondContact O-N 3.43Å; E400-D402 VanDerWaalsContact C-N 3.27Å; E400-D402 PolarHBondContact O-N 3.49Å; D402-C405 WeakPolarHBondContact O-CB 3.26Å; D402-C405 PolarHBondContact O-N 2.75Å; D402-M406 WeakPolarHBondContact O-CG 3.27Å; D402-M406 PolarHBondContact O-N 3.14Å
403I91Very high85.3Confident0 Ų053 Ų530%028%0.279CS..Hα-helixtrans-64.9-46.3174.9-56.4164.4000110.5A348 M349 F352 L398 R399 E400 C405 M406 H407A348-I403 HydrophobicContact CB-CB 4.38Å; A348-I403 HydrophobicContact CB-CG2 3.85Å; A348-I403 WeakPolarHBondContact O-CG2 3.16Å; M349-I403 HydrophobicContact CB-CD1 4.37Å; M349-I403 HydrophobicContact CE-CD1 3.96Å; M349-I403 HydrophobicContact CE-CG1 3.88Å; F352-I403 HydrophobicContact CB-CG2 4.16Å; L398-I403 HydrophobicContact CB-CG1 4.2Å; R399-I403 WeakPolarHBondContact O-CG1 3.28Å; R399-I403 PolarHBondContact O-N 3Å; R399-I403 VanDerWaalsContact O-N 3.08Å; E400-I403 PolarHBondContact O-N 3.49Å; I403-C405 VanDerWaalsContact C-N 3.28Å; I403-C405 PolarHBondContact O-N 3.15Å; I403-M406 PolarHBondContact O-N 3.1Å; I403-H407 WeakPolarHBondContact O-CB 3.48Å; I403-H407 PolarHBondContact O-N 2.76Å
404V89.9Confident87.4Confident66 Ų6647.3 Ų47.340%0.425%0.25SC..Hα-helixtrans-61-37.5175.7171.40000111.4E400 H407 S408E400-V404 HydrophobicContact CG-CG2 4.38Å; E400-V404 WeakPolarHBondContact O-CG2 3.19Å; E400-V404 PolarHBondContact O-N 3.2Å; V404-H407 PolarHBondContact O-N 2.78Å; V404-S408 WeakPolarHBondContact O-CB 3.26Å; V404-S408 PolarHBondContact O-N 3.37Å
405C90.6Very high89.2Confident20 Ų2046.4 Ų46.414%0.13523%0.229CC..Hα-helixtrans-59.9-49.6172.9-177.40000111.6L182 C185 T186 Q401 D402 I403 H407 S408L182-C405 HydrophobicContact CD1-CB 4.26Å; L182-C405 PolarHBondContact O-SG 2.89Å; C185-C405 WeakPolarHBondContact CB-O 3.24Å; T186-C405 PolarHBondContact OG1-SG 2.79Å; T186-C405 VanDerWaalsContact OG1-SG 3.36Å; Q401-C405 VanDerWaalsContact O-CB 3.27Å; Q401-C405 WeakPolarHBondContact O-CB 3.27Å; Q401-C405 PolarHBondContact O-N 3.4Å; D402-C405 WeakPolarHBondContact O-CB 3.26Å; D402-C405 PolarHBondContact O-N 2.75Å; I403-C405 VanDerWaalsContact C-N 3.28Å; I403-C405 PolarHBondContact O-N 3.15Å; C405-H407 VanDerWaalsContact C-N 3.34Å; C405-H407 PolarHBondContact O-N 2.8Å; C405-S408 PolarHBondContact O-N 2.89Å; C405-S408 PolarHBondContact O-OG 3.14Å
406M93.5Very high90.5Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-66.3-30.7175.7-63.8-170.3-60.200113.7L182 Y328 M335 F352 L398 D402 I403 P409L182-M406 HydrophobicContact CD1-CG 3.38Å; L182-M406 HydrophobicContact CD1-SD 4.12Å; Y328-M406 PolarHBondContact OH-O 2.72Å; M335-M406 HydrophobicContact CE-SD 3.83Å; M335-M406 HydrophobicContact SD-SD 4.28Å; F352-M406 HydrophobicContact CD2-CB 4.24Å; F352-M406 HydrophobicContact CE1-CE 4.14Å; F352-M406 HydrophobicContact CE2-CB 3.73Å; F352-M406 WeakPolarHBondContact CE2-O 3.29Å; F352-M406 HydrophobicContact CZ-CB 3.97Å; F352-M406 HydrophobicContact CZ-CE 4.37Å; F352-M406 HydrophobicContact CZ-SD 4.42Å; L398-M406 HydrophobicContact CD1-CE 3.95Å; L398-M406 HydrophobicContact CD2-CE 4.31Å; D402-M406 WeakPolarHBondContact O-CG 3.27Å; D402-M406 PolarHBondContact O-N 3.14Å; I403-M406 PolarHBondContact O-N 3.1Å; M406-P409 WeakPolarHBondContact O-CD 3.4Å
407H95.4Very high91.1Very high23 Ų2345.4 Ų45.411%0.10621%0.212CC..Hα-helixtrans-76.5-28.6179.5-168.5-156.7000112.5F352 D355 I403 V404 C405 P409 L410 L411F352-H407 HydrophobicContact CB-CB 4.33Å; F352-H407 HydrophobicContact CD2-CB 4.1Å; D355-H407 IonicContact OD2-CD2 3.82Å; D355-H407 IonicContact OD2-CE1 3.15Å; D355-H407 IonicContact OD2-NE2 3.21Å; D355-H407 PolarHBondContact OD2-NE2 3.25Å; I403-H407 WeakPolarHBondContact O-CB 3.48Å; I403-H407 PolarHBondContact O-N 2.76Å; V404-H407 PolarHBondContact O-N 2.78Å; C405-H407 VanDerWaalsContact C-N 3.34Å; C405-H407 PolarHBondContact O-N 2.8Å; H407-P409 VanDerWaalsContact C-CD 3.49Å; H407-L410 WeakPolarHBondContact O-CB 3.09Å; H407-L410 PolarHBondContact O-N 3.28Å; H407-L410 VanDerWaalsContact O-N 3.12Å; H407-L411 PolarHBondContact O-N 3.24Å
408S94.1Very high91.5Very high28 Ų2848.6 Ų48.620%0.19622%0.221CC..Hα-helixtrans-55.8-38.7-172.769.80000116.2A189 V404 C405 L411 R412A189-S408 WeakPolarHBondContact CB-OG 3.39Å; V404-S408 WeakPolarHBondContact O-CB 3.26Å; V404-S408 PolarHBondContact O-N 3.37Å; C405-S408 PolarHBondContact O-N 2.89Å; C405-S408 PolarHBondContact O-OG 3.14Å; S408-L411 PolarHBondContact O-N 3.25Å; S408-R412 WeakPolarHBondContact O-CG 3.1Å; S408-R412 PolarHBondContact O-N 3.43Å; S408-R412 VanDerWaalsContact O-N 3.16Å
409P95.7Very high91.6Very high0 Ų051.2 Ų51.20%023%0.233CC..Hα-helixtrans-71.3-33177.9-15.231.1000112.9C185 L188 A189 L192 L324 Y328 M406 H407 R412 L413C185-P409 HydrophobicContact CB-CG 4.28Å; C185-P409 WeakPolarHBondContact O-CG 3.46Å; L188-P409 HydrophobicContact CB-CB 4.34Å; L188-P409 HydrophobicContact CB-CG 4.32Å; A189-P409 HydrophobicContact CB-CB 4.43Å; A189-P409 HydrophobicContact CB-CG 4.09Å; L192-P409 HydrophobicContact CD1-CB 3.99Å; L192-P409 WeakPolarHBondContact CD1-O 3.29Å; L324-P409 HydrophobicContact CD1-CB 4.33Å; L324-P409 HydrophobicContact CD2-CB 3.72Å; Y328-P409 WeakPolarHBondContact OH-CB 2.98Å; Y328-P409 WeakPolarHBondContact OH-CD 3.44Å; Y328-P409 VanDerWaalsContact OH-CG 3.27Å; Y328-P409 WeakPolarHBondContact OH-CG 3.28Å; M406-P409 WeakPolarHBondContact O-CD 3.4Å; H407-P409 VanDerWaalsContact C-CD 3.49Å; P409-R412 PolarHBondContact O-N 2.9Å; P409-L413 PolarHBondContact O-N 3.44Å
410L95.2Very high91.4Very high8 Ų845.1 Ų45.14%0.04221%0.211CC..Hα-helixtrans-65.8-42.1176.6-62.6168000110.5Y328 F352 D355 L356 L359 H407 R412 L413 R414Y328-L410 HydrophobicContact CD2-CD2 4.3Å; Y328-L410 HydrophobicContact CE2-CD1 4.45Å; Y328-L410 HydrophobicContact CE2-CD2 3.62Å; Y328-L410 HydrophobicContact CE2-CG 3.91Å; F352-L410 HydrophobicContact CD2-CD1 3.75Å; F352-L410 HydrophobicContact CE2-CD1 3.74Å; D355-L410 HydrophobicContact CB-CB 4.26Å; D355-L410 HydrophobicContact CB-CD1 4.21Å; L356-L410 HydrophobicContact CB-CD1 3.88Å; L356-L410 HydrophobicContact CD1-CD1 4.24Å; L356-L410 HydrophobicContact CD1-CD2 4.41Å; L359-L410 HydrophobicContact CD1-CD2 3.72Å; L359-L410 HydrophobicContact CD2-CD2 3.97Å; L359-L410 HydrophobicContact CG-CD2 3.83Å; H407-L410 WeakPolarHBondContact O-CB 3.09Å; H407-L410 PolarHBondContact O-N 3.28Å; H407-L410 VanDerWaalsContact O-N 3.12Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.99Å; L410-L413 PolarHBondContact O-N 2.7Å; L410-R414 WeakPolarHBondContact O-CB 3.33Å; L410-R414 PolarHBondContact O-N 3.01Å
411L94.1Very high91.2Very high66 Ų6645.4 Ų45.435%0.34622%0.215SC..Hα-helixtrans-61.5-38.5173.3-66.2176.8000112H407 S408 R414 D415H407-L411 PolarHBondContact O-N 3.24Å; S408-L411 PolarHBondContact O-N 3.25Å; L411-R414 PolarHBondContact O-N 2.68Å; L411-D415 VanDerWaalsContact O-CG 3.24Å; L411-D415 PolarHBondContact O-N 2.86Å
412R94.3Very high91Very high95 Ų9544.4 Ų44.436%0.35821%0.21SC..Hα-helixtrans-68.9-37.2174.7-61.8-44.2178.1-172.9-2.4113.5A189 L192 S408 P409 L410 R414 D415 H416A189-R412 HydrophobicContact CB-CG 4.44Å; L192-R412 HydrophobicContact CB-CB 3.76Å; L192-R412 HydrophobicContact CD1-CB 4.23Å; S408-R412 WeakPolarHBondContact O-CG 3.1Å; S408-R412 PolarHBondContact O-N 3.43Å; S408-R412 VanDerWaalsContact O-N 3.16Å; P409-R412 PolarHBondContact O-N 2.9Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.99Å; R412-R414 VanDerWaalsContact C-N 3.32Å; R412-D415 WeakPolarHBondContact CD-OD2 3.42Å; R412-D415 IonicContact CZ-OD2 3.25Å; R412-D415 IonicContact NH1-OD2 2.67Å; R412-D415 PolarHBondContact NH1-OD2 3.34Å; R412-D415 WeakPolarHBondContact O-CB 3.35Å; R412-D415 PolarHBondContact O-N 3.15Å; R412-H416 PolarHBondContact O-CD2 2.89Å; R412-H416 PolarHBondContact O-N 2.79Å; R412-H416 VanDerWaalsContact O-N 3.16Å
413L93.5Very high90.4Very high4 Ų443.8 Ų43.82%0.02121%0.207CC..Hα-helixtrans-61.5-44.8172-170.773.4000110.5V317 R321 L324 L359 P409 L410 D415 H416 E417V317-L413 HydrophobicContact CG1-CD1 4.16Å; R321-L413 HydrophobicContact CB-CD1 4.34Å; R321-L413 HydrophobicContact CB-CD2 3.87Å; R321-L413 HydrophobicContact CG-CD2 3.87Å; L324-L413 HydrophobicContact CD1-CB 4.11Å; L324-L413 HydrophobicContact CD1-CD2 4.23Å; L359-L413 HydrophobicContact CD2-CD2 3.61Å; P409-L413 PolarHBondContact O-N 3.44Å; L410-L413 PolarHBondContact O-N 2.7Å; L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 3.02Å; L413-H416 WeakPolarHBondContact O-CB 3.12Å; L413-H416 PolarHBondContact O-N 2.6Å; L413-H416 VanDerWaalsContact O-N 3.09Å; L413-E417 WeakPolarHBondContact O-CG 3.2Å; L413-E417 PolarHBondContact O-N 3.43Å
414R91.5Very high89.9Confident74 Ų7447.9 Ų47.928%0.27922%0.222SC..Hα-helixtrans-63.3-33.2175.3178.7174-73.6170.4-2.9113.4D355 L410 L411 R412 E417 R418D355-R414 VanDerWaalsContact CG-CZ 3.43Å; D355-R414 VanDerWaalsContact CG-NH2 3.3Å; D355-R414 IonicContact OD1-CZ 2.65Å; D355-R414 IonicContact OD1-NH1 2.75Å; D355-R414 PolarHBondContact OD1-NH1 2.61Å; D355-R414 IonicContact OD1-NH2 3.63Å; D355-R414 PolarHBondContact OD1-NH2 2.94Å; D355-R414 IonicContact OD2-CZ 3.74Å; D355-R414 IonicContact OD2-NH1 2.66Å; D355-R414 PolarHBondContact OD2-NH1 2.97Å; D355-R414 IonicContact OD2-NH2 3.81Å; L410-R414 WeakPolarHBondContact O-CB 3.33Å; L410-R414 PolarHBondContact O-N 3.01Å; L411-R414 PolarHBondContact O-N 2.68Å; R412-R414 VanDerWaalsContact C-N 3.32Å; R414-E417 PolarHBondContact O-N 2.92Å; R414-R418 HydrophobicContact CG-CG 4.32Å; R414-R418 WeakPolarHBondContact O-CB 3.41Å; R414-R418 VanDerWaalsContact O-CG 3.28Å; R414-R418 WeakPolarHBondContact O-CG 3.44Å; R414-R418 PolarHBondContact O-N 3.04Å
415D92.7Very high89.4Confident50 Ų5047.2 Ų47.227%0.26722%0.223SC..Hα-helixtrans-62.8-41.1172.1-69.4-25.3000110.7L196 L411 R412 L413 Q419L196-D415 HydrophobicContact CD2-CB 3.67Å; L411-D415 VanDerWaalsContact O-CG 3.24Å; L411-D415 PolarHBondContact O-N 2.86Å; R412-D415 WeakPolarHBondContact CD-OD2 3.42Å; R412-D415 IonicContact CZ-OD2 3.25Å; R412-D415 IonicContact NH1-OD2 2.67Å; R412-D415 PolarHBondContact NH1-OD2 3.34Å; R412-D415 WeakPolarHBondContact O-CB 3.35Å; R412-D415 PolarHBondContact O-N 3.15Å; L413-D415 VanDerWaalsContact C-N 3.31Å; L413-D415 PolarHBondContact O-N 3.02Å; D415-Q419 WeakPolarHBondContact O-CB 3.25Å; D415-Q419 PolarHBondContact O-N 3.21Å
416H93.7Very high88.7Confident0 Ų050.3 Ų50.30%024%0.236CC..Hα-helixtrans-63-49.5170.8-77.9-96.3000112.1L192 L196 W313 L316 V317 R412 L413 R418 Q419 M420L192-H416 PolarHBondContact O-NE2 3.06Å; L192-H416 VanDerWaalsContact O-NE2 3.16Å; L196-H416 WeakPolarHBondContact CA-CE1 2.97Å; L196-H416 HydrophobicContact CD1-CB 4.47Å; L196-H416 PolarHBondContact N-CE1 2.84Å; L196-H416 VanDerWaalsContact N-CE1 3.27Å; L196-H416 PolarHBondContact N-NE2 3.37Å; W313-H416 AromaticContact CE2-ND1 3.98Å; W313-H416 AromaticContact NE1-CG 4Å; W313-H416 AromaticContact NE1-ND1 3.25Å; W313-H416 PolarHBondContact NE1-ND1 3.29Å; L316-H416 VanDerWaalsContact CD2-CE1 3.47Å; L316-H416 WeakPolarHBondContact CD2-CE1 3.33Å; V317-H416 HydrophobicContact CG2-CB 3.65Å; R412-H416 PolarHBondContact O-CD2 2.89Å; R412-H416 PolarHBondContact O-N 2.79Å; R412-H416 VanDerWaalsContact O-N 3.16Å; L413-H416 WeakPolarHBondContact O-CB 3.12Å; L413-H416 PolarHBondContact O-N 2.6Å; L413-H416 VanDerWaalsContact O-N 3.09Å; H416-R418 PolarHBondContact O-N 3.01Å; H416-Q419 WeakPolarHBondContact O-CB 3.24Å; H416-Q419 PolarHBondContact O-N 3.17Å; H416-Q419 VanDerWaalsContact O-N 3.15Å; H416-M420 WeakPolarHBondContact O-CG 3.46Å; H416-M420 PolarHBondContact O-N 3.41Å
417E89.1Confident87.7Confident51 Ų5153 Ų5324%0.23826%0.255CS..Hα-helixtrans-59.5-48.6-175.7-69.6168.8156.300111.3V317 R321 L413 R414 Q419 M420 D421V317-E417 HydrophobicContact CG1-CG 4.14Å; R321-E417 IonicContact CZ-OE1 3.7Å; R321-E417 IonicContact NE-OE1 2.74Å; R321-E417 PolarHBondContact NE-OE1 2.89Å; R321-E417 IonicContact NH2-OE1 3.57Å; R321-E417 PolarHBondContact NH2-OE1 3.37Å; L413-E417 WeakPolarHBondContact O-CG 3.2Å; L413-E417 PolarHBondContact O-N 3.43Å; R414-E417 PolarHBondContact O-N 2.92Å; E417-Q419 VanDerWaalsContact C-N 3.28Å; E417-Q419 PolarHBondContact O-N 3.37Å; E417-M420 WeakPolarHBondContact O-CB 3.48Å; E417-M420 PolarHBondContact O-N 3.06Å; E417-M420 VanDerWaalsContact O-N 3.12Å; E417-D421 PolarHBondContact O-N 3.39Å
418R89.9Confident86.8Confident158 Ų15858.2 Ų58.260%0.59628%0.279SS*.Hα-helixtrans-58.7-38.7174.7-73.2170.5170.6175.1-3.7112.9R414 H416 H422R414-R418 HydrophobicContact CG-CG 4.32Å; R414-R418 WeakPolarHBondContact O-CB 3.41Å; R414-R418 VanDerWaalsContact O-CG 3.28Å; R414-R418 WeakPolarHBondContact O-CG 3.44Å; R414-R418 PolarHBondContact O-N 3.04Å; H416-R418 PolarHBondContact O-N 3.01Å; R418-H422 PolarHBondContact O-N 3.17Å
419Q87.9Confident85.8Confident57 Ų5762.9 Ų62.927%0.26630%0.301SS..Hα-helixtrans-68.2-42.7176.4-173.460.244.200110.6I200 W313 D415 H416 E417 D421 H422 L423I200-Q419 HydrophobicContact CG1-CG 4.43Å; W313-Q419 HydrophobicContact CH2-CB 4.45Å; W313-Q419 HydrophobicContact CH2-CG 3.54Å; W313-Q419 HydrophobicContact CZ2-CB 4.01Å; W313-Q419 HydrophobicContact CZ2-CG 3.59Å; D415-Q419 WeakPolarHBondContact O-CB 3.25Å; D415-Q419 PolarHBondContact O-N 3.21Å; H416-Q419 WeakPolarHBondContact O-CB 3.24Å; H416-Q419 PolarHBondContact O-N 3.17Å; H416-Q419 VanDerWaalsContact O-N 3.15Å; E417-Q419 VanDerWaalsContact C-N 3.28Å; E417-Q419 PolarHBondContact O-N 3.37Å; Q419-D421 PolarHBondContact O-N 3.29Å; Q419-H422 WeakPolarHBondContact O-CB 3.33Å; Q419-H422 PolarHBondContact O-N 3.47Å; Q419-L423 VanDerWaalsContact O-CG 3.31Å; Q419-L423 WeakPolarHBondContact O-CG 3.44Å; Q419-L423 PolarHBondContact O-N 3.03Å
420M83.7Confident84.4Confident3 Ų365.6 Ų65.62%0.01532%0.324CS..Hα-helixtrans-61.7-42.1176.5-70.2-145.471.200112.9I310 W313 D314 V317 H416 E417 H422 L423 R424I310-M420 HydrophobicContact CG2-CE 4.08Å; W313-M420 HydrophobicContact CB-CE 3.74Å; W313-M420 HydrophobicContact CB-SD 4.02Å; W313-M420 HydrophobicContact CD2-CG 4.27Å; W313-M420 HydrophobicContact CG-CE 3.96Å; W313-M420 HydrophobicContact CG-CG 3.95Å; W313-M420 HydrophobicContact CG-SD 3.75Å; D314-M420 HydrophobicContact CB-CE 4.14Å; D314-M420 HydrophobicContact CB-SD 4.5Å; D314-M420 VanDerWaalsContact OD1-CE 3.25Å; D314-M420 WeakPolarHBondContact OD1-CE 3.04Å; D314-M420 WeakPolarHBondContact OD2-CE 3.23Å; V317-M420 HydrophobicContact CB-SD 4.47Å; V317-M420 HydrophobicContact CG2-SD 4.04Å; H416-M420 WeakPolarHBondContact O-CG 3.46Å; H416-M420 PolarHBondContact O-N 3.41Å; E417-M420 WeakPolarHBondContact O-CB 3.48Å; E417-M420 PolarHBondContact O-N 3.06Å; E417-M420 VanDerWaalsContact O-N 3.12Å; M420-H422 VanDerWaalsContact C-N 3.3Å; M420-H422 PolarHBondContact O-N 3.39Å; M420-L423 PolarHBondContact O-N 3.43Å; M420-L423 VanDerWaalsContact O-N 3.11Å; M420-R424 PolarHBondContact O-N 3.45Å
421D83.5Confident83.3Confident100 Ų10066.5 Ų66.554%0.53534%0.335SS..Hα-helixtrans-62.2-39.3175.5-68.9-20.1000111.5E417 Q419 R424 A425E417-D421 PolarHBondContact O-N 3.39Å; Q419-D421 PolarHBondContact O-N 3.29Å; D421-R424 PolarHBondContact O-N 3.23Å; D421-A425 WeakPolarHBondContact O-CB 3.5Å; D421-A425 PolarHBondContact O-N 2.96Å
422H82.9Confident82.1Confident114 Ų11467.1 Ų67.153%0.52834%0.342SS..Hα-helixtrans-64.5-38.5172.3-177.463.1000112.4R418 Q419 M420 Q426R418-H422 PolarHBondContact O-N 3.17Å; Q419-H422 WeakPolarHBondContact O-CB 3.33Å; Q419-H422 PolarHBondContact O-N 3.47Å; M420-H422 VanDerWaalsContact C-N 3.3Å; M420-H422 PolarHBondContact O-N 3.39Å; H422-Q426 WeakPolarHBondContact O-CB 3.31Å; H422-Q426 PolarHBondContact O-N 3.06Å
423L77.2Confident80.6Confident3 Ų369.1 Ų69.12%0.01635%0.354CS..Hα-helixtrans-69.1-40.1176.4-62-160.8000112.6W203 W313 Q419 M420 Q426 S427W203-L423 HydrophobicContact CB-CD1 4.41Å; W203-L423 HydrophobicContact CD2-CD1 3.56Å; W203-L423 HydrophobicContact CD2-CD2 4.21Å; W203-L423 HydrophobicContact CD2-CG 4.43Å; W203-L423 VanDerWaalsContact CE2-CD2 3.49Å; W203-L423 HydrophobicContact CE3-CD1 3.95Å; W203-L423 HydrophobicContact CG-CD1 3.79Å; W203-L423 HydrophobicContact CG-CD2 4.33Å; W203-L423 HydrophobicContact CH2-CB 4.4Å; W203-L423 HydrophobicContact CH2-CD1 4.41Å; W203-L423 HydrophobicContact CZ2-CB 4.12Å; W203-L423 HydrophobicContact CZ2-CD1 4.08Å; W203-L423 HydrophobicContact CZ2-CD2 3.79Å; W203-L423 HydrophobicContact CZ2-CG 4.18Å; W203-L423 HydrophobicContact CZ3-CD1 4.37Å; W313-L423 HydrophobicContact CE3-CD1 3.83Å; W313-L423 HydrophobicContact CH2-CD1 4.15Å; W313-L423 HydrophobicContact CZ3-CD1 3.56Å; Q419-L423 VanDerWaalsContact O-CG 3.31Å; Q419-L423 WeakPolarHBondContact O-CG 3.44Å; Q419-L423 PolarHBondContact O-N 3.03Å; M420-L423 PolarHBondContact O-N 3.43Å; M420-L423 VanDerWaalsContact O-N 3.11Å; L423-Q426 PolarHBondContact O-N 3.13Å; L423-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 PolarHBondContact O-N 3.19Å
424R79.7Confident79.1Confident86 Ų8674.3 Ų74.333%0.32538%0.38SS..Hα-helixtrans-60-50.4172.6-74.1-174.2-123.5-79.60.2110.7D314 M420 D421 Q426 S427 E428D314-R424 VanDerWaalsContact CG-NH1 3.3Å; D314-R424 IonicContact OD1-CZ 3.14Å; D314-R424 IonicContact OD1-NH1 2.9Å; D314-R424 PolarHBondContact OD1-NH1 3.42Å; D314-R424 IonicContact OD1-NH2 3.22Å; D314-R424 PolarHBondContact OD1-NH2 3.02Å; D314-R424 IonicContact OD2-CZ 2.91Å; D314-R424 IonicContact OD2-NH1 3.76Å; D314-R424 PolarHBondContact OD2-NH1 2.86Å; D314-R424 IonicContact OD2-NH2 2.76Å; M420-R424 PolarHBondContact O-N 3.45Å; D421-R424 PolarHBondContact O-N 3.23Å; R424-Q426 VanDerWaalsContact C-N 3.29Å; R424-Q426 PolarHBondContact O-N 2.83Å; R424-S427 WeakPolarHBondContact O-CA 3.36Å; R424-S427 WeakPolarHBondContact O-CB 3.29Å; R424-S427 PolarHBondContact O-N 2.99Å; R424-E428 WeakPolarHBondContact O-CG 3.39Å; R424-E428 PolarHBondContact O-N 3.37Å
425A78.9Confident77.7Confident51 Ų5174.6 Ų74.642%0.42139%0.39SS..Hα-helixtrans-59.9-36.6176.700000112.9D421 L429D421-A425 WeakPolarHBondContact O-CB 3.5Å; D421-A425 PolarHBondContact O-N 2.96Å; A425-L429 WeakPolarHBondContact O-CB 3.2Å; A425-L429 PolarHBondContact O-N 3.1Å; A425-L429 VanDerWaalsContact O-N 3.07Å
426Q75.5Confident76.5Confident86 Ų8675.9 Ų75.940%0.40240%0.397SS..Hα-helixtrans-66.1-40.1173.1-169-177.625.400111.8H422 L423 R424 A430H422-Q426 WeakPolarHBondContact O-CB 3.31Å; H422-Q426 PolarHBondContact O-N 3.06Å; L423-Q426 PolarHBondContact O-N 3.13Å; R424-Q426 VanDerWaalsContact C-N 3.29Å; R424-Q426 PolarHBondContact O-N 2.83Å; Q426-A430 WeakPolarHBondContact O-CB 3.32Å; Q426-A430 PolarHBondContact O-N 3.4Å
427S72.4Confident75Confident57 Ų5782.3 Ų82.340%0.39942%0.422SS..Hα-helixtrans-67.7-45178-160.30000112L423 R424 L429 A430 G431L423-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 PolarHBondContact O-N 3.19Å; R424-S427 WeakPolarHBondContact O-CA 3.36Å; R424-S427 WeakPolarHBondContact O-CB 3.29Å; R424-S427 PolarHBondContact O-N 2.99Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 3.13Å; S427-A430 PolarHBondContact O-N 2.87Å; S427-G431 PolarHBondContact O-N 3.01Å
428E77.5Confident74Confident132 Ų13284.7 Ų84.762%0.61744%0.436SS*.Hα-helixtrans-60.9-40.5175.1-72.1173.3-170.200112.2R424 G431 T432R424-E428 WeakPolarHBondContact O-CG 3.39Å; R424-E428 PolarHBondContact O-N 3.37Å; E428-G431 PolarHBondContact O-N 3.29Å; E428-T432 WeakPolarHBondContact O-CB 3.17Å; E428-T432 PolarHBondContact O-N 2.82Å; E428-T432 PolarHBondContact O-OG1 2.84Å
429L73Confident73.3Confident126 Ų12683.8 Ų83.866%0.6643%0.433SS*.Hα-helixtrans-64.5-42.9174.7-177.463.2000111.5A425 S427 T432 H433A425-L429 WeakPolarHBondContact O-CB 3.2Å; A425-L429 PolarHBondContact O-N 3.1Å; A425-L429 VanDerWaalsContact O-N 3.07Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 3.13Å; L429-T432 PolarHBondContact O-N 2.95Å; L429-H433 WeakPolarHBondContact O-CB 3.49Å; L429-H433 PolarHBondContact O-N 3.03Å
430A66.9Low72.7Confident57 Ų5787 Ų8747%0.47145%0.447SS..Hα-helixtrans-65.7-42.8176.300000112.3Q426 S427 T432 H433 M434Q426-A430 WeakPolarHBondContact O-CB 3.32Å; Q426-A430 PolarHBondContact O-N 3.4Å; S427-A430 PolarHBondContact O-N 2.87Å; A430-T432 VanDerWaalsContact C-N 3.34Å; A430-T432 PolarHBondContact O-N 3.17Å; A430-H433 PolarHBondContact O-N 2.91Å; A430-M434 WeakPolarHBondContact O-CB 3.28Å; A430-M434 PolarHBondContact O-N 3.45Å
431G72Confident71.9Confident26 Ų2690.3 Ų90.327%0.26847%0.465SS..Hα-helixtrans-63-38.9174.100000112.5S427 E428 M434 T435S427-G431 PolarHBondContact O-N 3.01Å; E428-G431 PolarHBondContact O-N 3.29Å; G431-M434 PolarHBondContact O-N 3.15Å; G431-T435 WeakPolarHBondContact O-CB 3.42Å; G431-T435 PolarHBondContact O-N 2.96Å; G431-T435 PolarHBondContact O-OG1 2.96Å
432T68.1Low71.1Confident80 Ų8089 Ų8949%0.49146%0.457SS..Hα-helixtrans-64.9-44.3173.9-58.30000111.5E428 L429 A430 T435 N436E428-T432 WeakPolarHBondContact O-CB 3.17Å; E428-T432 PolarHBondContact O-N 2.82Å; E428-T432 PolarHBondContact O-OG1 2.84Å; L429-T432 PolarHBondContact O-N 2.95Å; A430-T432 VanDerWaalsContact C-N 3.34Å; A430-T432 PolarHBondContact O-N 3.17Å; T432-T435 PolarHBondContact O-N 3.33Å; T432-N436 PolarHBondContact O-N 2.96Å; T432-N436 VanDerWaalsContact O-N 3.09Å; T432-N436 PolarHBondContact O-ND2 2.79Å
433H62.7Low70.8Confident136 Ų13686 Ų8663%0.6345%0.453SS*.Hα-helixtrans-60.6-48.9175.2-176.8-81.9000111.4L429 A430 T435 N436 Y437L429-H433 WeakPolarHBondContact O-CB 3.49Å; L429-H433 PolarHBondContact O-N 3.03Å; A430-H433 PolarHBondContact O-N 2.91Å; H433-T435 VanDerWaalsContact C-N 3.34Å; H433-T435 PolarHBondContact O-N 3.32Å; H433-N436 PolarHBondContact O-N 3.31Å; H433-N436 VanDerWaalsContact O-N 3.13Å; H433-Y437 PolarHBondContact O-N 2.97Å
434M62.4Low70.3Confident113 Ų11389.3 Ų89.356%0.55747%0.471SS*.Hα-helixtrans-61.6-39.8177.6-175162.86200112.2A430 G431 N436 Y437 L438A430-M434 WeakPolarHBondContact O-CB 3.28Å; A430-M434 PolarHBondContact O-N 3.45Å; G431-M434 PolarHBondContact O-N 3.15Å; M434-N436 VanDerWaalsContact C-N 3.28Å; M434-N436 PolarHBondContact O-N 3.28Å; M434-Y437 PolarHBondContact O-N 2.8Å; M434-L438 HydrophobicContact CG-CD1 4.05Å; M434-L438 HydrophobicContact CG-CG 4.42Å; M434-L438 WeakPolarHBondContact O-CB 3.49Å; M434-L438 VanDerWaalsContact O-CG 3.29Å; M434-L438 WeakPolarHBondContact O-CG 3.43Å; M434-L438 PolarHBondContact O-N 3.31Å
435T62.5Low69.8Low81 Ų8190.7 Ų90.750%0.49748%0.481SS..Hα-helixtrans-65.3-30.5175.7-560000112.6G431 T432 H433 R439G431-T435 WeakPolarHBondContact O-CB 3.42Å; G431-T435 PolarHBondContact O-N 2.96Å; G431-T435 PolarHBondContact O-OG1 2.96Å; T432-T435 PolarHBondContact O-N 3.33Å; H433-T435 VanDerWaalsContact C-N 3.34Å; H433-T435 PolarHBondContact O-N 3.32Å; T435-R439 PolarHBondContact O-N 3.46Å
436N68Low69.9Low76 Ų7693 Ų9341%0.40648%0.481SS..Hα-helixtrans-76.9-44173.9-69.7-27.7000111.6T432 H433 M434 L438 R439 E440T432-N436 PolarHBondContact O-N 2.96Å; T432-N436 VanDerWaalsContact O-N 3.09Å; T432-N436 PolarHBondContact O-ND2 2.79Å; H433-N436 PolarHBondContact O-N 3.31Å; H433-N436 VanDerWaalsContact O-N 3.13Å; M434-N436 VanDerWaalsContact C-N 3.28Å; M434-N436 PolarHBondContact O-N 3.28Å; N436-L438 PolarHBondContact O-N 3.48Å; N436-R439 WeakPolarHBondContact O-CA 3.46Å; N436-R439 WeakPolarHBondContact O-CB 3.37Å; N436-R439 PolarHBondContact O-N 2.82Å; N436-R439 VanDerWaalsContact O-N 3.08Å; N436-R439 PolarHBondContact OD1-NH1 2.92Å; N436-R439 PolarHBondContact OD1-NH2 2.71Å; N436-R439 VanDerWaalsContact OD1-NH2 3.13Å; N436-E440 PolarHBondContact O-N 3.4Å
437Y61.8Low70.4Confident136 Ų13696 Ų9653%0.53349%0.489SS..Hα-helixtrans-62.3-40.8176.8-179-111.5000112.7H433 M434 R439 E440 I441H433-Y437 PolarHBondContact O-N 2.97Å; M434-Y437 PolarHBondContact O-N 2.8Å; Y437-R439 VanDerWaalsContact C-N 3.26Å; Y437-R439 PolarHBondContact O-N 3.45Å; Y437-E440 WeakPolarHBondContact O-CB 3.35Å; Y437-E440 PolarHBondContact O-N 3.35Å; Y437-E440 VanDerWaalsContact O-N 3.14Å; Y437-I441 HydrophobicContact CD1-CD1 3.98Å; Y437-I441 HydrophobicContact CE1-CD1 3.45Å; Y437-I441 VanDerWaalsContact CE1-CD1 3.45Å; Y437-I441 HydrophobicContact CE1-CG1 4.38Å; Y437-I441 HydrophobicContact CE2-CD1 4.45Å; Y437-I441 PolarHBondContact O-N 2.67Å
438L68Low70.9Confident100 Ų10097 Ų9752%0.52449%0.492SS..Hα-helixtrans-64.7-28.9173.2-70.9170.6000112.7M434 N436 D442M434-L438 HydrophobicContact CG-CD1 4.05Å; M434-L438 HydrophobicContact CG-CG 4.42Å; M434-L438 WeakPolarHBondContact O-CB 3.49Å; M434-L438 VanDerWaalsContact O-CG 3.29Å; M434-L438 WeakPolarHBondContact O-CG 3.43Å; M434-L438 PolarHBondContact O-N 3.31Å; N436-L438 PolarHBondContact O-N 3.48Å; L438-D442 VanDerWaalsContact O-CB 3.31Å; L438-D442 WeakPolarHBondContact O-CB 3.16Å; L438-D442 PolarHBondContact O-N 3.23Å
439R74.3Confident70.8Confident139 Ų13994.7 Ų94.753%0.52548%0.484SS..Hα-helixtrans-75.1-30.1173.5-163.8-171.7-52.3112.911.6112.3T435 N436 Y437 A443T435-R439 PolarHBondContact O-N 3.46Å; N436-R439 WeakPolarHBondContact O-CA 3.46Å; N436-R439 WeakPolarHBondContact O-CB 3.37Å; N436-R439 PolarHBondContact O-N 2.82Å; N436-R439 VanDerWaalsContact O-N 3.08Å; N436-R439 PolarHBondContact OD1-NH1 2.92Å; N436-R439 PolarHBondContact OD1-NH2 2.71Å; N436-R439 VanDerWaalsContact OD1-NH2 3.13Å; Y437-R439 VanDerWaalsContact C-N 3.26Å; Y437-R439 PolarHBondContact O-N 3.45Å; R439-A443 WeakPolarHBondContact O-CB 3.29Å; R439-A443 PolarHBondContact O-N 3.4Å; R439-A443 VanDerWaalsContact O-N 3.09Å
440E75.5Confident71.4Confident124 Ų12495.2 Ų95.258%0.57948%0.484SS*.Hα-helixtrans-70.1-45.8173.4-167.1164.6-15000110.3N436 Y437 D442 A443 D444N436-E440 PolarHBondContact O-N 3.4Å; Y437-E440 WeakPolarHBondContact O-CB 3.35Å; Y437-E440 PolarHBondContact O-N 3.35Å; Y437-E440 VanDerWaalsContact O-N 3.14Å; E440-D442 PolarHBondContact O-N 3.38Å; E440-A443 WeakPolarHBondContact O-CB 3.49Å; E440-A443 PolarHBondContact O-N 2.81Å; E440-A443 VanDerWaalsContact O-N 3.15Å; E440-D444 PolarHBondContact O-N 2.9Å
441I66.8Low72.3Confident74 Ų7497.6 Ų97.638%0.37949%0.485SS..Hα-helixtrans-59.4-45.3171-68.5175.6000111.8Y437 A443 D444 Q445Y437-I441 HydrophobicContact CD1-CD1 3.98Å; Y437-I441 HydrophobicContact CE1-CD1 3.45Å; Y437-I441 VanDerWaalsContact CE1-CD1 3.45Å; Y437-I441 HydrophobicContact CE1-CG1 4.38Å; Y437-I441 HydrophobicContact CE2-CD1 4.45Å; Y437-I441 PolarHBondContact O-N 2.67Å; I441-A443 PolarHBondContact O-N 2.63Å; I441-D444 PolarHBondContact O-N 3.39Å; I441-Q445 VanDerWaalsContact O-CB 3.31Å; I441-Q445 WeakPolarHBondContact O-CB 3.28Å; I441-Q445 PolarHBondContact O-N 3.32Å
442D67.7Low73Confident71 Ų71101 Ų10138%0.3850%0.497SS..Hα-helixtrans-61.8-31.1176.3169.981.2000112.7L438 E440 K446L438-D442 VanDerWaalsContact O-CB 3.31Å; L438-D442 WeakPolarHBondContact O-CB 3.16Å; L438-D442 PolarHBondContact O-N 3.23Å; E440-D442 PolarHBondContact O-N 3.38Å; D442-K446 VanDerWaalsContact O-CD 3.26Å; D442-K446 WeakPolarHBondContact O-CD 3.02Å; D442-K446 VanDerWaalsContact O-CG 3.27Å; D442-K446 WeakPolarHBondContact O-CG 3.18Å; D442-K446 PolarHBondContact O-N 3.32Å; D442-K446 WeakPolarHBondContact OD1-CE 3.31Å; D442-K446 IonicContact OD1-NZ 2.67Å; D442-K446 PolarHBondContact OD1-NZ 3.02Å; D442-K446 IonicContact OD2-NZ 3.7Å; D442-K446 PolarHBondContact OD2-NZ 3.09Å
443A75.9Confident73.7Confident52 Ų52100.8 Ų100.843%0.4350%0.498SS..Hα-helixtrans-75.3-42.6174.600000112.5R439 E440 I441 K446 R447R439-A443 WeakPolarHBondContact O-CB 3.29Å; R439-A443 PolarHBondContact O-N 3.4Å; R439-A443 VanDerWaalsContact O-N 3.09Å; E440-A443 WeakPolarHBondContact O-CB 3.49Å; E440-A443 PolarHBondContact O-N 2.81Å; E440-A443 VanDerWaalsContact O-N 3.15Å; I441-A443 PolarHBondContact O-N 2.63Å; A443-K446 PolarHBondContact O-N 3.27Å; A443-R447 PolarHBondContact O-N 2.75Å
444D67.3Low74.8Confident73 Ų7398.2 Ų98.239%0.3949%0.488SS..Hα-helixtrans-76.5-28.8178.4-82.7-21.1000113E440 I441 K446 R447 V448E440-D444 PolarHBondContact O-N 2.9Å; I441-D444 PolarHBondContact O-N 3.39Å; D444-K446 VanDerWaalsContact C-N 3.35Å; D444-R447 WeakPolarHBondContact O-CB 3.2Å; D444-R447 PolarHBondContact O-N 3.1Å; D444-R447 IonicContact OD1-CZ 2.79Å; D444-R447 IonicContact OD1-NE 2.81Å; D444-R447 PolarHBondContact OD1-NE 3.01Å; D444-R447 IonicContact OD1-NH2 3.23Å; D444-R447 PolarHBondContact OD1-NH2 3.44Å; D444-R447 VanDerWaalsContact OD1-NH2 3.12Å; D444-V448 WeakPolarHBondContact O-CG2 3.19Å; D444-V448 PolarHBondContact O-N 2.64Å
445Q68.6Low75.9Confident114 Ų11497.3 Ų97.353%0.53349%0.485SS..Hα-helixtrans-59.4-47.8166.4-178.1176.6-8.900110I441 R447 V448 D449I441-Q445 VanDerWaalsContact O-CB 3.31Å; I441-Q445 WeakPolarHBondContact O-CB 3.28Å; I441-Q445 PolarHBondContact O-N 3.32Å; Q445-R447 VanDerWaalsContact C-N 3.26Å; Q445-R447 PolarHBondContact O-N 2.92Å; Q445-V448 PolarHBondContact O-N 2.82Å; Q445-V448 VanDerWaalsContact O-N 3.13Å; Q445-D449 WeakPolarHBondContact O-CB 3.03Å; Q445-D449 VanDerWaalsContact O-CG 3.28Å; Q445-D449 PolarHBondContact O-N 2.99Å
446K82.1Confident77.1Confident101 Ų10197.6 Ų97.644%0.43948%0.483SS..Hα-helixtrans-64.4-28.6176.3-73.3165.2-166.7161.90113.4D442 A443 D444 Q450D442-K446 VanDerWaalsContact O-CD 3.26Å; D442-K446 WeakPolarHBondContact O-CD 3.02Å; D442-K446 VanDerWaalsContact O-CG 3.27Å; D442-K446 WeakPolarHBondContact O-CG 3.18Å; D442-K446 PolarHBondContact O-N 3.32Å; D442-K446 WeakPolarHBondContact OD1-CE 3.31Å; D442-K446 IonicContact OD1-NZ 2.67Å; D442-K446 PolarHBondContact OD1-NZ 3.02Å; D442-K446 IonicContact OD2-NZ 3.7Å; D442-K446 PolarHBondContact OD2-NZ 3.09Å; A443-K446 PolarHBondContact O-N 3.27Å; D444-K446 VanDerWaalsContact C-N 3.35Å; K446-Q450 WeakPolarHBondContact O-CB 2.94Å; K446-Q450 WeakPolarHBondContact O-CG 3.23Å; K446-Q450 PolarHBondContact O-N 2.75Å; K446-Q450 PolarHBondContact O-NE2 3.16Å
447R85.9Confident78Confident147 Ų14799.8 Ų99.856%0.55549%0.491SS*.Hα-helixtrans-67-50.8169.8-175-162.2-55.4-78.10110.6A443 D444 Q445 D449 Q450 E451A443-R447 PolarHBondContact O-N 2.75Å; D444-R447 WeakPolarHBondContact O-CB 3.2Å; D444-R447 PolarHBondContact O-N 3.1Å; D444-R447 IonicContact OD1-CZ 2.79Å; D444-R447 IonicContact OD1-NE 2.81Å; D444-R447 PolarHBondContact OD1-NE 3.01Å; D444-R447 IonicContact OD1-NH2 3.23Å; D444-R447 PolarHBondContact OD1-NH2 3.44Å; D444-R447 VanDerWaalsContact OD1-NH2 3.12Å; Q445-R447 VanDerWaalsContact C-N 3.26Å; Q445-R447 PolarHBondContact O-N 2.92Å; R447-D449 VanDerWaalsContact C-N 3.35Å; R447-D449 PolarHBondContact O-N 2.89Å; R447-Q450 WeakPolarHBondContact O-CB 3.47Å; R447-Q450 PolarHBondContact O-N 3.4Å; R447-Q450 VanDerWaalsContact O-N 3.14Å; R447-E451 WeakPolarHBondContact O-CG 3.41Å; R447-E451 PolarHBondContact O-N 3.24Å
448V81.7Confident79.2Confident79 Ų7998.2 Ų98.248%0.47949%0.491SS..Hα-helixtrans-61.9-42.1179.5171.60000111.2D444 Q445 Q450 E451 L452D444-V448 WeakPolarHBondContact O-CG2 3.19Å; D444-V448 PolarHBondContact O-N 2.64Å; Q445-V448 PolarHBondContact O-N 2.82Å; Q445-V448 VanDerWaalsContact O-N 3.13Å; V448-Q450 VanDerWaalsContact C-N 3.28Å; V448-Q450 PolarHBondContact O-N 3.22Å; V448-E451 PolarHBondContact O-N 2.85Å; V448-L452 HydrophobicContact CG1-CD1 3.82Å; V448-L452 HydrophobicContact CG1-CG 4.19Å; V448-L452 WeakPolarHBondContact O-CB 3.45Å; V448-L452 VanDerWaalsContact O-CG 3.27Å; V448-L452 WeakPolarHBondContact O-CG 3.13Å; V448-L452 PolarHBondContact O-N 3.41Å
449D76.7Confident80.2Confident83 Ų8399.4 Ų99.444%0.44449%0.494SS..Hα-helixtrans-61.2-35.5175-68.2-27000112.2Q445 R447 S453Q445-D449 WeakPolarHBondContact O-CB 3.03Å; Q445-D449 VanDerWaalsContact O-CG 3.28Å; Q445-D449 PolarHBondContact O-N 2.99Å; R447-D449 VanDerWaalsContact C-N 3.35Å; R447-D449 PolarHBondContact O-N 2.89Å; D449-S453 WeakPolarHBondContact O-CB 3.38Å; D449-S453 PolarHBondContact O-N 2.81Å
450Q84.6Confident80.9Confident138 Ų13898.7 Ų98.765%0.64550%0.497SS*.Hα-helixtrans-70.1-45174.5-75.4166.927.800112.3K446 R447 V448 S453 L454K446-Q450 WeakPolarHBondContact O-CB 2.94Å; K446-Q450 WeakPolarHBondContact O-CG 3.23Å; K446-Q450 PolarHBondContact O-N 2.75Å; K446-Q450 PolarHBondContact O-NE2 3.16Å; R447-Q450 WeakPolarHBondContact O-CB 3.47Å; R447-Q450 PolarHBondContact O-N 3.4Å; R447-Q450 VanDerWaalsContact O-N 3.14Å; V448-Q450 VanDerWaalsContact C-N 3.28Å; V448-Q450 PolarHBondContact O-N 3.22Å; Q450-S453 PolarHBondContact O-N 3.27Å; Q450-L454 PolarHBondContact O-N 3.03Å
451E87Confident81.4Confident106 Ų10697.6 Ų97.650%0.49549%0.492SS..Hα-helixtrans-64.9-39.8176.1-63.4-62.8162.400111.5R447 V448 L454 I455R447-E451 WeakPolarHBondContact O-CG 3.41Å; R447-E451 PolarHBondContact O-N 3.24Å; V448-E451 PolarHBondContact O-N 2.85Å; E451-L454 WeakPolarHBondContact O-CB 3.37Å; E451-L454 PolarHBondContact O-N 2.74Å; E451-I455 VanDerWaalsContact O-CG1 3.29Å; E451-I455 WeakPolarHBondContact O-CG1 3.43Å; E451-I455 PolarHBondContact O-N 2.82Å
452L85.3Confident82.2Confident99 Ų9997.7 Ų97.752%0.51850%0.499SS..Hα-helixtrans-63-42.3173.6-73.4173.3000111.7V448 L454 I455 D456V448-L452 HydrophobicContact CG1-CD1 3.82Å; V448-L452 HydrophobicContact CG1-CG 4.19Å; V448-L452 WeakPolarHBondContact O-CB 3.45Å; V448-L452 VanDerWaalsContact O-CG 3.27Å; V448-L452 WeakPolarHBondContact O-CG 3.13Å; V448-L452 PolarHBondContact O-N 3.41Å; L452-L454 VanDerWaalsContact C-N 3.28Å; L452-L454 PolarHBondContact O-N 3.44Å; L452-I455 PolarHBondContact O-N 3.19Å; L452-D456 WeakPolarHBondContact O-CB 3.28Å; L452-D456 PolarHBondContact O-N 3.43Å
453S83Confident83.1Confident74 Ų7499.5 Ų99.552%0.51751%0.505SS..Hα-helixtrans-64.8-31.2174.2-174.50000112.8D449 Q450 Q457D449-S453 WeakPolarHBondContact O-CB 3.38Å; D449-S453 PolarHBondContact O-N 2.81Å; Q450-S453 PolarHBondContact O-N 3.27Å; S453-Q457 WeakPolarHBondContact O-CB 3.48Å; S453-Q457 PolarHBondContact O-N 3.22Å; S453-Q457 VanDerWaalsContact O-N 3.07Å
454L86.1Confident83.5Confident82 Ų8299.7 Ų99.743%0.42950%0.503SS..Hα-helixtrans-72.3-40.9174.6-179.662.4000111.4Q450 E451 L452 Q457 L458Q450-L454 PolarHBondContact O-N 3.03Å; E451-L454 WeakPolarHBondContact O-CB 3.37Å; E451-L454 PolarHBondContact O-N 2.74Å; L452-L454 VanDerWaalsContact C-N 3.28Å; L452-L454 PolarHBondContact O-N 3.44Å; L454-Q457 PolarHBondContact O-N 3.39Å; L454-L458 HydrophobicContact CG-CD1 4.25Å; L454-L458 WeakPolarHBondContact O-CB 3.4Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.33Å; L454-L458 PolarHBondContact O-N 2.91Å
455I84.5Confident84.2Confident94 Ų94101.7 Ų101.748%0.48251%0.51SS..Hα-helixtrans-63.7-45.7175.2-69.1163.6000110.6E451 L452 Q457 L458 Q459E451-I455 VanDerWaalsContact O-CG1 3.29Å; E451-I455 WeakPolarHBondContact O-CG1 3.43Å; E451-I455 PolarHBondContact O-N 2.82Å; L452-I455 PolarHBondContact O-N 3.19Å; I455-Q457 PolarHBondContact O-N 3.22Å; I455-L458 PolarHBondContact O-N 3.11Å; I455-Q459 VanDerWaalsContact O-CB 3.32Å; I455-Q459 WeakPolarHBondContact O-CB 3.37Å; I455-Q459 PolarHBondContact O-N 3.27Å
456D88.4Confident85Confident87 Ų87100.6 Ų100.647%0.46551%0.507SS..Hα-helixtrans-60.9-43.4175.5-176.972.1000111.7L452 L458 Q459 H460L452-D456 WeakPolarHBondContact O-CB 3.28Å; L452-D456 PolarHBondContact O-N 3.43Å; D456-L458 PolarHBondContact O-N 2.94Å; D456-Q459 PolarHBondContact O-N 2.88Å; D456-H460 WeakPolarHBondContact O-CB 3.4Å; D456-H460 PolarHBondContact O-N 3.32Å; D456-H460 IonicContact OD1-CD2 3.59Å; D456-H460 IonicContact OD2-CD2 2.68Å; D456-H460 PolarHBondContact OD2-CD2 2.84Å; D456-H460 IonicContact OD2-NE2 3.75Å
457Q86.1Confident85.2Confident123 Ų12399.7 Ų99.758%0.57551%0.507SS*.Hα-helixtrans-60.9-44.6174.4-176.5-179.4-2400112.2S453 L454 I455 Q459 H460 E461S453-Q457 WeakPolarHBondContact O-CB 3.48Å; S453-Q457 PolarHBondContact O-N 3.22Å; S453-Q457 VanDerWaalsContact O-N 3.07Å; L454-Q457 PolarHBondContact O-N 3.39Å; I455-Q457 PolarHBondContact O-N 3.22Å; Q457-Q459 VanDerWaalsContact C-N 3.33Å; Q457-H460 PolarHBondContact O-N 3.16Å; Q457-E461 WeakPolarHBondContact O-CB 3.16Å; Q457-E461 PolarHBondContact O-N 3.1Å
458L88.9Confident85Confident102 Ų10298.4 Ų98.453%0.53451%0.508SS..Hα-helixtrans-64.3-37.8176.3-74.6166.8000111.9L454 I455 D456 E461 S462L454-L458 HydrophobicContact CG-CD1 4.25Å; L454-L458 WeakPolarHBondContact O-CB 3.4Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.33Å; L454-L458 PolarHBondContact O-N 2.91Å; I455-L458 PolarHBondContact O-N 3.11Å; D456-L458 PolarHBondContact O-N 2.94Å; L458-E461 PolarHBondContact O-N 2.7Å; L458-S462 VanDerWaalsContact O-CB 3.31Å; L458-S462 WeakPolarHBondContact O-CB 3.26Å; L458-S462 PolarHBondContact O-N 3Å
459Q87.7Confident85Confident125 Ų12599.2 Ų99.258%0.58451%0.509SS*.Hα-helixtrans-68.9-42.9177.5-171.1164.8-17.700111.1I455 D456 Q457 S462 Q463I455-Q459 VanDerWaalsContact O-CB 3.32Å; I455-Q459 WeakPolarHBondContact O-CB 3.37Å; I455-Q459 PolarHBondContact O-N 3.27Å; D456-Q459 PolarHBondContact O-N 2.88Å; Q457-Q459 VanDerWaalsContact C-N 3.33Å; Q459-S462 PolarHBondContact O-N 3.49Å; Q459-Q463 WeakPolarHBondContact O-CB 3.24Å; Q459-Q463 PolarHBondContact O-N 2.9Å
460H88.8Confident85.4Confident125 Ų12598.4 Ų98.458%0.57950%0.504SS*.Hα-helixtrans-64.1-38.1171.8-91.4-47.7000113.2D456 Q457 S464D456-H460 WeakPolarHBondContact O-CB 3.4Å; D456-H460 PolarHBondContact O-N 3.32Å; D456-H460 IonicContact OD1-CD2 3.59Å; D456-H460 IonicContact OD2-CD2 2.68Å; D456-H460 PolarHBondContact OD2-CD2 2.84Å; D456-H460 IonicContact OD2-NE2 3.75Å; Q457-H460 PolarHBondContact O-N 3.16Å; H460-S464 WeakPolarHBondContact O-CB 3.49Å; H460-S464 PolarHBondContact O-N 3.35Å
461E86.8Confident85.3Confident101 Ų10195.5 Ų95.547%0.47249%0.493SS..Hα-helixtrans-66.2-45.7174.1-170.3176.5162.500111.1Q457 L458 Q463 S464 Q465Q457-E461 WeakPolarHBondContact O-CB 3.16Å; Q457-E461 PolarHBondContact O-N 3.1Å; L458-E461 PolarHBondContact O-N 2.7Å; E461-Q463 VanDerWaalsContact C-N 3.34Å; E461-Q463 PolarHBondContact O-N 2.95Å; E461-S464 WeakPolarHBondContact O-CB 2.91Å; E461-S464 PolarHBondContact O-N 3.35Å; E461-S464 VanDerWaalsContact O-N 3.1Å; E461-Q465 HydrophobicContact CG-CG 4.46Å; E461-Q465 WeakPolarHBondContact O-CG 3.38Å; E461-Q465 PolarHBondContact O-N 3.1Å; E461-Q465 PolarHBondContact OE1-NE2 3.48Å
462S82.6Confident85.2Confident76 Ų7696.7 Ų96.753%0.53149%0.493SS..Hα-helixtrans-57.2-45.7174.6-174.80000111.9L458 Q459 S464 Q465 L466L458-S462 VanDerWaalsContact O-CB 3.31Å; L458-S462 WeakPolarHBondContact O-CB 3.26Å; L458-S462 PolarHBondContact O-N 3Å; Q459-S462 PolarHBondContact O-N 3.49Å; S462-S464 VanDerWaalsContact C-N 3.32Å; S462-S464 PolarHBondContact O-N 2.84Å; S462-Q465 PolarHBondContact O-N 3.36Å; S462-L466 WeakPolarHBondContact O-CB 3.45Å; S462-L466 PolarHBondContact O-N 2.95Å
463Q86.6Confident84.8Confident108 Ų10896.1 Ų96.151%0.50549%0.493SS..Hα-helixtrans-57-44.6173.9-159.784.921.400111.2Q459 E461 L466 D467Q459-Q463 WeakPolarHBondContact O-CB 3.24Å; Q459-Q463 PolarHBondContact O-N 2.9Å; E461-Q463 VanDerWaalsContact C-N 3.34Å; E461-Q463 PolarHBondContact O-N 2.95Å; Q463-L466 PolarHBondContact O-N 2.7Å; Q463-D467 PolarHBondContact O-N 2.84Å
464S84.2Confident84.6Confident57 Ų5798.3 Ų98.340%0.39949%0.493SS..Hα-helixtrans-67.4-38.5177.9-168.30000113.1H460 E461 S462 D467 Q468H460-S464 WeakPolarHBondContact O-CB 3.49Å; H460-S464 PolarHBondContact O-N 3.35Å; E461-S464 WeakPolarHBondContact O-CB 2.91Å; E461-S464 PolarHBondContact O-N 3.35Å; E461-S464 VanDerWaalsContact O-N 3.1Å; S462-S464 VanDerWaalsContact C-N 3.32Å; S462-S464 PolarHBondContact O-N 2.84Å; S464-D467 PolarHBondContact O-N 2.69Å; S464-Q468 WeakPolarHBondContact O-CB 3.35Å; S464-Q468 VanDerWaalsContact O-CG 3.26Å; S464-Q468 WeakPolarHBondContact O-CG 3.43Å; S464-Q468 PolarHBondContact O-N 3.08Å; S464-Q468 PolarHBondContact O-NE2 3.02Å; S464-Q468 PolarHBondContact OG-NE2 3.22Å
465Q82.5Confident83.9Confident114 Ų114101.8 Ų101.853%0.53350%0.501SS..Hα-helixtrans-66-39.8175-68.5-174.425.900111E461 S462 Q468 L469E461-Q465 HydrophobicContact CG-CG 4.46Å; E461-Q465 WeakPolarHBondContact O-CG 3.38Å; E461-Q465 PolarHBondContact O-N 3.1Å; E461-Q465 PolarHBondContact OE1-NE2 3.48Å; S462-Q465 PolarHBondContact O-N 3.36Å; Q465-Q468 PolarHBondContact O-N 2.78Å; Q465-L469 WeakPolarHBondContact O-CB 3.29Å; Q465-L469 PolarHBondContact O-N 3.48Å
466L85.2Confident82.8Confident91 Ų91104.3 Ų104.348%0.47650%0.504SS..Hα-helixtrans-64-45.9174.2-177.261.8000111.8S462 Q463 Q468 L469 I470S462-L466 WeakPolarHBondContact O-CB 3.45Å; S462-L466 PolarHBondContact O-N 2.95Å; Q463-L466 PolarHBondContact O-N 2.7Å; L466-Q468 VanDerWaalsContact C-N 3.33Å; L466-Q468 PolarHBondContact O-N 2.77Å; L466-L469 WeakPolarHBondContact O-CB 3.31Å; L466-L469 PolarHBondContact O-N 3.39Å; L466-L469 VanDerWaalsContact O-N 3.13Å; L466-I470 HydrophobicContact CD1-CD1 4.38Å; L466-I470 HydrophobicContact CG-CD1 4.02Å; L466-I470 WeakPolarHBondContact O-CG1 3.31Å; L466-I470 PolarHBondContact O-N 3.46Å
467D86.1Confident81.5Confident82 Ų82103.3 Ų103.344%0.43950%0.504SS..Hα-helixtrans-62.4-38.5174.4-92.7-33.3000112.3Q463 S464 L469 I470 N471Q463-D467 PolarHBondContact O-N 2.84Å; S464-D467 PolarHBondContact O-N 2.69Å; D467-L469 VanDerWaalsContact C-N 3.32Å; D467-L469 PolarHBondContact O-N 3.47Å; D467-I470 PolarHBondContact O-N 3.05Å; D467-N471 VanDerWaalsContact O-CB 3.25Å; D467-N471 WeakPolarHBondContact O-CB 3.5Å; D467-N471 PolarHBondContact O-N 2.72Å; D467-N471 PolarHBondContact O-ND2 2.96Å
468Q81.7Confident80.2Confident120 Ų120100.8 Ų100.856%0.56150%0.5SS*.Hα-helixtrans-64.6-36173.6-76.5177.266.400112.2S464 Q465 L466 R472S464-Q468 WeakPolarHBondContact O-CB 3.35Å; S464-Q468 VanDerWaalsContact O-CG 3.26Å; S464-Q468 WeakPolarHBondContact O-CG 3.43Å; S464-Q468 PolarHBondContact O-N 3.08Å; S464-Q468 PolarHBondContact O-NE2 3.02Å; S464-Q468 PolarHBondContact OG-NE2 3.22Å; Q465-Q468 PolarHBondContact O-N 2.78Å; L466-Q468 VanDerWaalsContact C-N 3.33Å; L466-Q468 PolarHBondContact O-N 2.77Å; Q468-R472 WeakPolarHBondContact O-CB 3.27Å; Q468-R472 PolarHBondContact O-N 3.38Å
469L81.4Confident78.5Confident96 Ų96105.2 Ų105.250%0.50351%0.51SS..Hα-helixtrans-68.1-48.7174.8-173.964.4000111.3Q465 L466 D467 N471 R472 V473Q465-L469 WeakPolarHBondContact O-CB 3.29Å; Q465-L469 PolarHBondContact O-N 3.48Å; L466-L469 WeakPolarHBondContact O-CB 3.31Å; L466-L469 PolarHBondContact O-N 3.39Å; L466-L469 VanDerWaalsContact O-N 3.13Å; D467-L469 VanDerWaalsContact C-N 3.32Å; D467-L469 PolarHBondContact O-N 3.47Å; L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 3.06Å; L469-R472 WeakPolarHBondContact O-CA 3.5Å; L469-R472 WeakPolarHBondContact O-CB 3.44Å; L469-R472 PolarHBondContact O-N 3.03Å; L469-V473 WeakPolarHBondContact O-CG2 3.41Å; L469-V473 PolarHBondContact O-N 3.06Å
470I85.9Confident76.6Confident67 Ų67107.9 Ų107.934%0.34452%0.516SS..Hα-helixtrans-55.9-46.1174.6-69.1165.1000110.4L466 D467 R472 V473 K474L466-I470 HydrophobicContact CD1-CD1 4.38Å; L466-I470 HydrophobicContact CG-CD1 4.02Å; L466-I470 WeakPolarHBondContact O-CG1 3.31Å; L466-I470 PolarHBondContact O-N 3.46Å; D467-I470 PolarHBondContact O-N 3.05Å; I470-R472 VanDerWaalsContact C-N 3.32Å; I470-R472 PolarHBondContact O-N 3.5Å; I470-V473 PolarHBondContact O-N 3.29Å; I470-K474 HydrophobicContact CG2-CD 4.19Å; I470-K474 WeakPolarHBondContact O-CG 3.47Å; I470-K474 PolarHBondContact O-N 2.92Å
471N82.5Confident74.2Confident76 Ų76108.9 Ų108.941%0.40652%0.521SS..Hα-helixtrans-71.6-21.7178-75.1-58.2000113.8D467 L469 R475D467-N471 VanDerWaalsContact O-CB 3.25Å; D467-N471 WeakPolarHBondContact O-CB 3.5Å; D467-N471 PolarHBondContact O-N 2.72Å; D467-N471 PolarHBondContact O-ND2 2.96Å; L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 3.06Å; N471-R475 VanDerWaalsContact O-CB 3.31Å; N471-R475 WeakPolarHBondContact O-CB 3.16Å; N471-R475 PolarHBondContact O-N 3.34Å
472R85.2Confident71.9Confident132 Ų132112.6 Ų112.650%0.49854%0.538SS..Hα-helixtrans-71.8-45.9166.8-94.4178.159174-5.7111.3Q468 L469 I470 R475 W476Q468-R472 WeakPolarHBondContact O-CB 3.27Å; Q468-R472 PolarHBondContact O-N 3.38Å; L469-R472 WeakPolarHBondContact O-CA 3.5Å; L469-R472 WeakPolarHBondContact O-CB 3.44Å; L469-R472 PolarHBondContact O-N 3.03Å; I470-R472 VanDerWaalsContact C-N 3.32Å; I470-R472 PolarHBondContact O-N 3.5Å; R472-R475 CarbonylContact O-C 3.18Å; R472-R475 PolarHBondContact O-N 2.95Å; R472-W476 PolarHBondContact O-N 2.88Å
473V77.8Confident69.6Low86 Ų86115.9 Ų115.952%0.52155%0.545SS..Hα-helixtrans-61.9-48179.6173.30000110.9L469 I470 R475 W476 S477L469-V473 WeakPolarHBondContact O-CG2 3.41Å; L469-V473 PolarHBondContact O-N 3.06Å; I470-V473 PolarHBondContact O-N 3.29Å; V473-R475 VanDerWaalsContact C-N 3.27Å; V473-R475 PolarHBondContact O-N 2.68Å; V473-W476 WeakPolarHBondContact O-CB 3.39Å; V473-W476 PolarHBondContact O-N 2.75Å; V473-S477 PolarHBondContact O-N 3.45Å
474K76.9Confident67.2Low120 Ų120116.8 Ų116.852%0.52256%0.56SS.*Hα-helixtrans-55.3-40.1173.8-71.9176.6177.5179.30112.7I470 W476 S477 S478I470-K474 HydrophobicContact CG2-CD 4.19Å; I470-K474 WeakPolarHBondContact O-CG 3.47Å; I470-K474 PolarHBondContact O-N 2.92Å; K474-W476 VanDerWaalsContact C-N 3.3Å; K474-W476 PolarHBondContact O-N 3.46Å; K474-S477 PolarHBondContact O-N 3.31Å; K474-S477 PolarHBondContact O-OG 2.94Å; K474-S477 VanDerWaalsContact O-OG 3.12Å; K474-S478 PolarHBondContact O-N 3.38Å; K474-S478 VanDerWaalsContact O-N 3.13Å
475R72.3Confident64.7Low155 Ų155120.7 Ų120.759%0.58558%0.576SS**Hα-helixtrans-80.1-8.8179.4-151.3-169-45.1165.86.5113.8N471 R472 V473N471-R475 VanDerWaalsContact O-CB 3.31Å; N471-R475 WeakPolarHBondContact O-CB 3.16Å; N471-R475 PolarHBondContact O-N 3.34Å; R472-R475 CarbonylContact O-C 3.18Å; R472-R475 PolarHBondContact O-N 2.95Å; V473-R475 VanDerWaalsContact C-N 3.27Å; V473-R475 PolarHBondContact O-N 2.68Å
476W62.5Low62.4Low147 Ų147121.5 Ų121.556%0.55759%0.589SS**Hα-helixtrans-87-44.5167.6-74.4-0.7000110.6R472 V473 K474 S478 R479R472-W476 PolarHBondContact O-N 2.88Å; V473-W476 WeakPolarHBondContact O-CB 3.39Å; V473-W476 PolarHBondContact O-N 2.75Å; K474-W476 VanDerWaalsContact C-N 3.3Å; K474-W476 PolarHBondContact O-N 3.46Å; W476-S478 PolarHBondContact O-N 3.08Å; W476-R479 PolarHBondContact O-N 3.19Å
477S59Low59.7Low67 Ų67123.7 Ų123.747%0.46960%0.601SS.*Hα-helixtrans-61.7-45.7176.473.30000111.7V473 K474 R479 Y480V473-S477 PolarHBondContact O-N 3.45Å; K474-S477 PolarHBondContact O-N 3.31Å; K474-S477 PolarHBondContact O-OG 2.94Å; K474-S477 VanDerWaalsContact O-OG 3.12Å; S477-R479 PolarHBondContact O-N 3.11Å; S477-Y480 PolarHBondContact O-N 3.13Å
478S59.5Low57.1Low70 Ų70125.8 Ų125.849%0.4962%0.622SS.*THydrogen-bonded Turntrans-65.4-2.7-177.4860000115.5K474 W476K474-S478 PolarHBondContact O-N 3.38Å; K474-S478 VanDerWaalsContact O-N 3.13Å; W476-S478 PolarHBondContact O-N 3.08Å
479R54.2Low54.6Low194 Ų194125.1 Ų125.173%0.73263%0.63SS**THydrogen-bonded Turntrans-106.1-2173.8-70-157.4-65-177.43.4114W476 S477W476-R479 PolarHBondContact O-N 3.19Å; S477-R479 PolarHBondContact O-N 3.11Å
480Y48.1Very low52.1Low182 Ų182128.6 Ų128.671%0.71465%0.648SS**THydrogen-bonded Turntrans-98.8-4170.6-83.6-84.6000113.3S477 L938S477-Y480 PolarHBondContact O-N 3.13Å; Y480-L938 HydrophobicContact CD1-CD2 4.27Å
481E37.9Very low49.2Very low145 Ų145129.6 Ų129.668%0.67866%0.661SS**SBendtrans-90.67.6-176.9-66-180156.100114.7
482H37.3Very low46.5Very low179 Ų179133 Ų13383%0.82968%0.679SS**  trans-12777.3174.7-82.314.9000110.8P484H482-P484 WeakPolarHBondContact O-CD 3.41Å
483E36Very low43.7Very low145 Ų145132.4 Ų132.468%0.67870%0.695SS**  trans-72.1125.5167.4-74-171.7132.200111.4
484P34.5Very low41.2Very low128 Ų128139.6 Ų139.683%0.83171%0.713SS**  trans-86.6107.8161.2-0.821.3000109.1H482H482-P484 WeakPolarHBondContact O-CD 3.41Å
485N32.4Very low38.8Very low138 Ų138142.2 Ų142.274%0.73873%0.729SS**  trans-55.7132.1168.2173.415.3000111.8
486V33.2Very low36.6Very low131 Ų131139.3 Ų139.379%0.79473%0.732SS**  trans-173.6134.4136.6139.10000110.9
487D28.5Very low34.7Very low138 Ų138137.6 Ų137.674%0.73874%0.743SS**  trans-68147.2171.2-56.8-88.1000113
488S32.7Very low33Very low125 Ų125139.4 Ų139.487%0.87476%0.756SS**  -179.4147.4121.3-82.80000113.7
489S28.3Very low31.3Very low106 Ų106142.8 Ų142.874%0.74177%0.768SS**  trans-73.3151.8174.357.50000113.9
490I28.7Very low29.7Very low170 Ų170142.5 Ų142.587%0.87277%0.772SS**  -169.6155.8118.5-97.9154.6000110.3
491S26.5Very low28.4Very low87 Ų87139.4 Ų139.461%0.60878%0.776SS**  trans-113.5175.4-170.252.90000114.2
492N24.5Very low27.7Very low148 Ų148137.8 Ų137.879%0.79178%0.781SS**  trans95.1168.9163.4-50.5-53.2000118.6
493S27.2Very low26.8Very low120 Ų120135 Ų13584%0.83978%0.777SS**  trans90.869168.3-46.80000118.6M495S493-M495 PolarHBondContact O-N 2.88Å
494R25.2Very low26.1Very low237 Ų237135.3 Ų135.389%0.89478%0.782SS**  trans-47.5125149.3163.8-157.2-82.4175.1-8.7111.6
495M26.6Very low25.6Very low174 Ų174134.4 Ų134.486%0.85778%0.779SS**  trans-176.6122.4146.7-99.8165.889.800108.2S493S493-M495 PolarHBondContact O-N 2.88Å
496S25.5Very low25.2Very low94 Ų94132.8 Ų132.866%0.65777%0.77SS**  89.984.167.1-65.70000115.2
497S24.3Very low24.7Very low111 Ų111132.3 Ų132.378%0.77676%0.763SS**  trans57.7145.6137.162.80000123.6
498S23Very low24.4Very low105 Ų105137 Ų13773%0.73477%0.77SS**  trans90.6100.1149.775.20000121
499L22.1Very low23.9Very low142 Ų142135.1 Ų135.174%0.74376%0.762SS**  44.9123.1120.9-69.8171.8000121.8
500K21.8Very low23.7Very low188 Ų188133.4 Ų133.482%0.81776%0.761SS**  trans92.2123.4149.9-62.7166.5-179.4176.50119.8
501S20.3Very low23.5Very low116 Ų116132.1 Ų132.181%0.81176%0.756SS**  trans6091.7137.3-56.80000121.6
502S23.1Very low23.6Very low112 Ų112134.1 Ų134.178%0.78376%0.76SS**  trans-153.1126.4140.154.70000107.4
503T19.1Very low23.6Very low120 Ų120134.5 Ų134.574%0.73676%0.757SS**  cis69.485.638-44.40000113.4
504I20.2Very low23.5Very low152 Ų152137.7 Ų137.778%0.77976%0.761SS**  trans42.6102.8145.4-49.6175.6000118.1
505S24.8Very low23.5Very low109 Ų109136.1 Ų136.176%0.76276%0.756SS**  trans-156.4131.8135.5-151.90000105.8
506D23.1Very low24.2Very low104 Ų104132.9 Ų132.956%0.55675%0.748SS**  5690.753.6-72.5-14.8000112.9
507N24Very low24.3Very low121 Ų121135.4 Ų135.465%0.64775%0.753SS**  164.2135.796.1-85.7-34000115.9
508W21Very low24.4Very low237 Ų237137.2 Ų137.290%0.89875%0.754SS**  trans63.7161.5133.7-64.639000119.8
509A23.6Very low24.4Very low85 Ų85136.6 Ų136.670%0.70276%0.755SS**  cis-168.6152.3-30.800000110.3
510G23.3Very low24.6Very low69 Ų69141.5 Ų141.571%0.71176%0.763SS**  trans75.4176.3169.400000115.8
511N25Very low24.7Very low143 Ų143137.8 Ų137.877%0.76576%0.761SS**  cis-159.2172.9-7.8-133.72.7000111.6
512N28.2Very low25.1Very low130 Ų130137.4 Ų137.470%0.69576%0.756SS**  trans72.4113.8174.1-49.7-17.7000114.3
513Q24.3Very low25.3Very low156 Ų156140.9 Ų140.973%0.72976%0.76SS**  cis76.5110.346.2-60.7-179.61.500115.1
514M25.4Very low25.6Very low186 Ų186140.2 Ų140.292%0.91676%0.76SS**  -155.4150.3123-147.765.5160.100109.7
515Y25.4Very low25.7Very low205 Ų205140 Ų14080%0.80476%0.759SS**  trans-123.3-170.2-175-84.7-85.2000109.1
516P41.6Very low25.8Very low105 Ų105141.5 Ų141.568%0.68276%0.763SS**  cis-128.4-167.5-46.135.8-18.9000111.3
517I27.8Very low25.8Very low148 Ų148146.2 Ų146.276%0.75977%0.773SS**  -174.3154.7125.8-96.5157.8000110.4
518D25.9Very low25.6Very low149 Ų149147.1 Ų147.180%0.79777%0.773SS**  trans47.7104.4175.2-63.9-16.1000118.2
519A23.6Very low25.8Very low91 Ų91141.5 Ų141.575%0.75277%0.765SS**  cis87.288.625.200000117.2
520R25.7Very low25.8Very low246 Ų246142 Ų14293%0.92876%0.764SS**  trans-162122.1133-115.4176.2-172.3-163.51.9116.3
521S23.4Very low25.8Very low109 Ų109149.8 Ų149.876%0.76277%0.772SS**  trans56.5135.9138.2-147.90000122.6
522P29.8Very low25.7Very low108 Ų108150.3 Ų150.370%0.70177%0.774SS**  trans-112.3-159.9-178.745-36.9000114.3
523Q25.6Very low25.4Very low186 Ų186150.1 Ų150.187%0.86978%0.782SS**  trans107.3134.8-178.7-62.6163.817.500111.3
524S26.4Very low25.3Very low105 Ų105147.2 Ų147.273%0.73478%0.78SS**  cis-135.1129.110.2-174.50000109.5
525I21.9Very low25.1Very low148 Ų148148.2 Ų148.276%0.75977%0.773SS**  39.9105.391.6-52173.9000114.3
526V26.4Very low24.9Very low141 Ų141144.5 Ų144.586%0.85577%0.772SS**  -151.3151.5125.1179.10000109.2
527R22.7Very low23.8Very low202 Ų202149.6 Ų149.676%0.76278%0.777SS**  trans-50.3171.4167-74.3164.714696.40.1115.1
528E21.7Very low23.5Very low141 Ų141148.2 Ų148.266%0.65978%0.781SS**  cis-158.7174.58.8-131.8148.3-144.700114.3
529T24.8Very low23.3Very low118 Ų118148.8 Ų148.872%0.72478%0.779SS**  trans58.2106.7154.650.40000123.1
530S22.4Very low23.2Very low97 Ų97149.7 Ų149.768%0.67878%0.78SS**  85.2100.4112.6-60.80000123.7
531R23.1Very low23.1Very low231 Ų231145.4 Ų145.487%0.87277%0.773SS**  trans80.5147.2135.4-57.1178.1-176.1-161-0.6118.8
532L23Very low23.1Very low155 Ų155145 Ų14581%0.81277%0.768SS**  trans60.199-179.1-55.5172.4000114.5
533S22.4Very low22.8Very low125 Ų125151 Ų15187%0.87478%0.777SS**  cis64.858.61.3-149.30000118.3
534S22.9Very low22.7Very low96 Ų96146.3 Ų146.367%0.67176%0.763SS**  trans-154.4113.3150.947.80000107.1
535R20.4Very low22.6Very low206 Ų206146.8 Ų146.878%0.77776%0.761SS**  70.4123.273.7-166.6-169.5-165.1-147.83.8111.4
536T21.4Very low22.7Very low127 Ų127145.3 Ų145.378%0.77975%0.754SS**  trans61.2141.2167.639.70000116.6
537R19Very low22.5Very low212 Ų212144 Ų14480%0.874%0.743SS**  cis-159.4158.7-2.4166.2177.4174.6-173.2-0.2107E539R537-E539 PolarHBondContact O-N 3.32Å
538S21.4Very low22.5Very low119 Ų119137.6 Ų137.683%0.83273%0.733SS**  trans-6685.5161.7-52.80000109.3S540S538-S540 PolarHBondContact O-N 3.15Å
539E22.4Very low22.7Very low161 Ų161134.8 Ų134.875%0.75272%0.721SS**  trans-66.2117.3163.6-70.7-161.5142.400107.9R537 I541R537-E539 PolarHBondContact O-N 3.32Å; E539-I541 VanDerWaalsContact C-N 3.33Å; E539-I541 PolarHBondContact O-N 3.21Å
540S20.8Very low22.7Very low110 Ų110132.7 Ų132.777%0.76971%0.708SS**  trans-55.7102.2158.449.30000107.3S538 P542S538-S540 PolarHBondContact O-N 3.15Å; S540-P542 WeakPolarHBondContact O-CD 3.43Å
541I23.6Very low22.9Very low156 Ų156132.7 Ų132.780%0.870%0.698SS**PPolyproline II helixtrans-48.8120.3179.9-64.6176.5000107.3E539 R543E539-I541 VanDerWaalsContact C-N 3.33Å; E539-I541 PolarHBondContact O-N 3.21Å; I541-R543 PolarHBondContact O-N 2.98Å
542P23.4Very low23Very low101 Ų101128.4 Ų128.466%0.65669%0.69SS**PPolyproline II helixtrans-53.7137-175-29.235.5000110.8S540 P544S540-P542 WeakPolarHBondContact O-CD 3.43Å; P542-P544 WeakPolarHBondContact O-CD 3.4Å
543R22.3Very low23.2Very low233 Ų233122.7 Ų122.788%0.87967%0.669SS**PPolyproline II helixtrans-54.6125.5156.6-70.9-173.4177.6-157.21.4105.6I541 V545I541-R543 PolarHBondContact O-N 2.98Å; R543-V545 PolarHBondContact O-N 3.49Å
544P24.9Very low23.4Very low89 Ų89122.1 Ų122.158%0.57866%0.66SS**  trans-62.6107.9178.524.9-32.4000107.8P542 L546 V595P542-P544 WeakPolarHBondContact O-CD 3.4Å; P544-L546 PolarHBondContact O-N 2.85Å; P544-V595 HydrophobicContact CB-CG1 4.34Å
545V24.1Very low23.6Very low115 Ų115120.4 Ų120.470%0.69765%0.646SS**  trans-56.7122154176.60000104.6R543 D547R543-V545 PolarHBondContact O-N 3.49Å; V545-D547 PolarHBondContact O-N 3.12Å
546L22.7Very low23.9Very low117 Ų117114.9 Ų114.961%0.61364%0.635SS**  trans-69.191164.6-109.471.6000106.2P544 A548P544-L546 PolarHBondContact O-N 2.85Å; L546-A548 PolarHBondContact O-N 3.5Å
547D23.2Very low24Very low114 Ų114116 Ų11661%0.6163%0.629SS**  trans-63.891.4159.9-94.9-10.5000106.5V545 I549V545-D547 PolarHBondContact O-N 3.12Å; D547-I549 HydrophobicContact CB-CG1 4.05Å; D547-I549 PolarHBondContact O-N 3Å
548A22.6Very low24.3Very low67 Ų67111 Ų11155%0.55462%0.622SS**  trans-68.384.3164.100000106.9L546 T550L546-A548 PolarHBondContact O-N 3.5Å; A548-T550 PolarHBondContact O-N 3.41Å; A548-T550 PolarHBondContact O-OG1 3.1Å
549I25.5Very low24.3Very low81 Ų81110.2 Ų110.242%0.41561%0.612SS.*  trans-71.184.5-179.7-54.8-179.2000108.3D547 Q551D547-I549 HydrophobicContact CB-CG1 4.05Å; D547-I549 PolarHBondContact O-N 3Å; I549-Q551 HydrophobicContact CG2-CG 4.06Å; I549-Q551 PolarHBondContact O-N 2.86Å
550T25.8Very low24.2Very low74 Ų74105.8 Ų105.845%0.45461%0.61SS.*  trans-69.681.2171.8-51.30000109.3A548 I552 I602A548-T550 PolarHBondContact O-N 3.41Å; A548-T550 PolarHBondContact O-OG1 3.1Å; T550-I552 HydrophobicContact CG2-CG1 4.26Å; T550-I552 PolarHBondContact O-N 3.45Å; T550-I552 VanDerWaalsContact O-N 3.15Å; T550-I602 HydrophobicContact CG2-CD1 3.83Å; T550-I602 HydrophobicContact CG2-CG1 4.34Å
551Q26.6Very low24.3Very low98 Ų98106 Ų10646%0.45861%0.607SS.*  trans-73.3106.1174.5-100.1179.97.300110I549 Q601 I602I549-Q551 HydrophobicContact CG2-CG 4.06Å; I549-Q551 PolarHBondContact O-N 2.86Å; Q551-Q601 HydrophobicContact CB-CG 3.78Å; Q551-I602 PolarHBondContact O-N 2.82Å; Q551-I602 VanDerWaalsContact O-N 3.11Å
552I24.6Very low24.1Very low140 Ų140107.9 Ų107.972%0.71861%0.612SS**  trans-92.995.5166.9-53.8174.7000106.8T550 I602T550-I552 HydrophobicContact CG2-CG1 4.26Å; T550-I552 PolarHBondContact O-N 3.45Å; T550-I552 VanDerWaalsContact O-N 3.15Å; I552-I602 WeakPolarHBondContact CA-O 3.15Å
553G26.8Very low24Very low36 Ų36110 Ų11037%0.37162%0.617SS.*SBendtrans-178.6143.6-176.600000114.4
554V27.4Very low24.1Very low113 Ų113104.2 Ų104.269%0.68561%0.612SS**  trans-75.1124.8174.61800000109
555T25.8Very low23.8Very low59 Ų59108.2 Ų108.236%0.36262%0.622SS.*EExtended strand (participates in β ladder)trans-124119.5174.4-54.80000109.5
556T27Very low23.8Very low90 Ų90110.4 Ų110.455%0.55263%0.63SS**EExtended strand (participates in β ladder)trans-103.1133.5174.1-48.70000108.9
557K24.1Very low23.8Very low152 Ų152111.8 Ų111.866%0.66164%0.638SS**  trans-134130168.7-76.2-173.8177.2178.40109.8
558T24.9Very low23.8Very low105 Ų105109.8 Ų109.864%0.64465%0.645SS**  trans-123.1129176.2-51.20000107.2
559T20.8Very low24Very low103 Ų103114.8 Ų114.863%0.63266%0.662SS**  trans-136.6107.2-178.549.40000109.5
560G21.7Very low23.8Very low68 Ų68114 Ų11470%0.70167%0.673SS**  trans-111.9144.4161.900000108.6
561T22.2Very low23.7Very low114 Ų114114.3 Ų114.370%0.69969%0.691SS**  trans-127.4125.1-172.1-47.50000109.5I563T561-I563 HydrophobicContact CG2-CD1 3.98Å; T561-I563 HydrophobicContact CG2-CG1 3.9Å
562Q19.5Very low23.6Very low196 Ų196120.6 Ų120.692%0.91671%0.711SS**  trans-121.5133.2169.9-64.1176.2-1.500107.2
563I22.5Very low23.6Very low146 Ų146121.6 Ų121.675%0.74972%0.718SS**  trans-140.6133.2176.7-43.7-179.1000108.5T561T561-I563 HydrophobicContact CG2-CD1 3.98Å; T561-I563 HydrophobicContact CG2-CG1 3.9Å
564S22.6Very low23.4Very low111 Ų111128.8 Ų128.878%0.77674%0.742SS**  trans-103.1168.4-175.756.40000112.9
565H19.3Very low23.5Very low174 Ų174130.7 Ų130.781%0.80675%0.746SS**  trans-52.6148.3164.8-73.4-106.8000112.5
566D23.2Very low23.5Very low161 Ų161135.2 Ų135.286%0.86177%0.769SS**  trans-151.1159.6131.4-147.5-15.5000109.4
567D24.2Very low23.4Very low146 Ų146137.5 Ų137.578%0.78178%0.777SS**  trans-108.6160.6-165.8-76.8-58.9000114.5
568G23.3Very low23.4Very low72 Ų72135.4 Ų135.474%0.74278%0.781SS**  trans116.3148.1135.700000119.8
569D25.6Very low23.4Very low172 Ų172137.8 Ų137.892%0.9279%0.788SS**  trans55.2137.8163.3-118.47.8000119.1
570G22.5Very low23.6Very low63 Ų63137 Ų13765%0.64979%0.787SS**  cis1131324.100000111.8
571G24.1Very low23.7Very low81 Ų81143.4 Ų143.484%0.83580%0.795SS**  trans134.2112.1175.900000115.1
572R22.7Very low23.6Very low230 Ų230148 Ų14887%0.86880%0.8SS**  trans-60.6156.9164.4-56160.6173.9152.1-5.8110.5
573N25.8Very low23.8Very low161 Ų161147.3 Ų147.386%0.86180%0.797SS**  -177.2164105.6-89.1-26000113.6
574E23.2Very low23.7Very low187 Ų187149.3 Ų149.387%0.87480%0.8SS**  trans-116.1123.9-167.2167.7-177-129.300109
575I27.6Very low23.7Very low153 Ų153152 Ų15279%0.78580%0.802SS**  trans-141.3123.1168.5-59.4-176.9000108.9L577I575-L577 HydrophobicContact CG2-CD1 4.34Å
576D26.5Very low24Very low155 Ų155149.3 Ų149.383%0.82980%0.8SS**  trans-82.8134.5175.2-164.50.1000110.6
577L26.2Very low23.9Very low138 Ų138145.5 Ų145.572%0.72379%0.791SS**  trans-155.591.8-178.9-118.8158000112.5I575I575-L577 HydrophobicContact CG2-CD1 4.34Å
578S24.1Very low23.7Very low107 Ų107145 Ų14575%0.74879%0.794SS**  trans-71.8136166.355.40000111.2
579I24.6Very low23.7Very low156 Ų156148.5 Ų148.580%0.879%0.794SS**  trans-164138.1155-107.2151.3000112.2
580S25.3Very low23.7Very low87 Ų87144.9 Ų144.961%0.60878%0.779SS**  trans16.3117.9159.8-159.30000120.2R582S580-R582 PolarHBondContact O-N 3.06Å
581K22.2Very low23.7Very low201 Ų201150.4 Ų150.487%0.87479%0.789SS**  trans-64.374.8158.6-68.8179.1178.3175.30111.7
582R21.6Very low23.6Very low211 Ų211157.7 Ų157.780%0.79679%0.791SS**  trans-78.3123.3161.7-77-168.4178.1-178.81.2109.5S580 F584S580-R582 PolarHBondContact O-N 3.06Å; R582-F584 PolarHBondContact O-N 2.93Å; R582-F584 VanDerWaalsContact O-N 3.16Å
583H22.9Very low23.6Very low182 Ų182155.4 Ų155.484%0.84379%0.787SS**  trans-64.2112.1156.4-75.835.7000107.7
584F21Very low23.5Very low188 Ų188155.1 Ų155.183%0.82578%0.781SS**  trans-121.9129151.2-125-94.4000106.7R582R582-F584 PolarHBondContact O-N 2.93Å; R582-F584 VanDerWaalsContact O-N 3.16Å
585M21.4Very low23.6Very low167 Ų167150.1 Ų150.182%0.82376%0.763SS**PPolyproline II helixtrans-67134.9-178.2-54-1568000108.6A587M585-A587 PolarHBondContact O-N 3.43Å
586P25.3Very low23.4Very low118 Ų118153.6 Ų153.677%0.76677%0.766SS**PPolyproline II helixtrans-57.2128163.526.8-32.6000106.7T588P586-T588 PolarHBondContact O-N 3.39Å
587A22.4Very low23.3Very low80 Ų80150.1 Ų150.166%0.66175%0.747SS**PPolyproline II helixtrans-55.4140.3-176.400000109.9M585 I589M585-A587 PolarHBondContact O-N 3.43Å; A587-I589 HydrophobicContact CB-CG1 4.33Å; A587-I589 PolarHBondContact O-N 2.94Å
588T20.3Very low23.1Very low137 Ų137146.1 Ų146.184%0.8474%0.735SS**  trans-70.269.5160.9-45.10000108.6P586 P590P586-T588 PolarHBondContact O-N 3.39Å; T588-P590 VanDerWaalsContact O-CD 3.28Å; T588-P590 WeakPolarHBondContact O-CD 3.23Å; T588-P590 VanDerWaalsContact O-N 3.16Å
589I22.8Very low23.3Very low145 Ų145143.4 Ų143.474%0.74471%0.711SS**  trans-59.4111.6149.5-60.9179000103.2A587 E591A587-I589 HydrophobicContact CB-CG1 4.33Å; A587-I589 PolarHBondContact O-N 2.94Å; I589-E591 PolarHBondContact O-N 2.88Å
590P24.9Very low23.4Very low95 Ų95138.1 Ų138.162%0.61769%0.686SS**  trans-62.8133.8-17024.5-33.3000108.7T588 R592T588-P590 VanDerWaalsContact O-CD 3.28Å; T588-P590 WeakPolarHBondContact O-CD 3.23Å; T588-P590 VanDerWaalsContact O-N 3.16Å; P590-R592 PolarHBondContact O-N 3.5Å
591E22.6Very low23.5Very low180 Ų180135.7 Ų135.784%0.84167%0.665SS**  trans-51.2113.8155.4-77.2-167134.500106.7I589 K593I589-E591 PolarHBondContact O-N 2.88Å; E591-K593 PolarHBondContact O-N 3Å
592R21.9Very low23.7Very low233 Ų233129.9 Ų129.988%0.87964%0.643SS**  trans-6289.9158.6-75-178.4175.5172.7-1.7105.4P590 Q594P590-R592 PolarHBondContact O-N 3.5Å; R592-Q594 PolarHBondContact O-N 3.11Å
593K23.4Very low24Very low182 Ų182120.9 Ų120.979%0.79162%0.615SS**  trans-45.5109.7165-72.2-172.8175.5-173.70105.4E591 V595E591-K593 PolarHBondContact O-N 3Å; K593-V595 PolarHBondContact O-N 3.27Å
594Q23.8Very low24.4Very low156 Ų156115.4 Ų115.473%0.72959%0.594SS**  trans-58.9109.8-171.9-78179.6-40.900107.2R592 R596R592-Q594 PolarHBondContact O-N 3.11Å; Q594-R596 PolarHBondContact O-N 2.74Å
595V24.3Very low24.7Very low82 Ų82107.4 Ų107.450%0.49756%0.562SS.*  trans-64.4111.6177.3-169.30000104.6P544 K593 N597P544-V595 HydrophobicContact CB-CG1 4.34Å; K593-V595 PolarHBondContact O-N 3.27Å; V595-N597 VanDerWaalsContact CG1-OD1 3.23Å; V595-N597 WeakPolarHBondContact CG1-OD1 3.22Å; V595-N597 PolarHBondContact O-N 2.9Å; V595-N597 PolarHBondContact O-OD1 3.01Å
596R22.9Very low25.1Very low225 Ų225103.5 Ų103.585%0.84954%0.54SS*.  trans-72.377.2179.4-74.2-177.3176164.1-2108Q594 A598Q594-R596 PolarHBondContact O-N 2.74Å; R596-A598 VanDerWaalsContact C-N 3.32Å; R596-A598 PolarHBondContact O-N 2.71Å
597N24.5Very low25.2Very low82 Ų82100.9 Ų100.944%0.43952%0.522SS..  trans-66.595171.9-68.61.9000107.1V595 I599V595-N597 VanDerWaalsContact CG1-OD1 3.23Å; V595-N597 WeakPolarHBondContact CG1-OD1 3.22Å; V595-N597 PolarHBondContact O-N 2.9Å; V595-N597 PolarHBondContact O-OD1 3.01Å; N597-I599 VanDerWaalsContact C-N 3.31Å; N597-I599 HydrophobicContact CB-CG1 4.31Å; N597-I599 PolarHBondContact O-N 3.03Å
598A23.5Very low25.3Very low55 Ų5599.8 Ų99.846%0.45551%0.505SS..  trans-70.191.7169.500000108.1R596 T600R596-A598 VanDerWaalsContact C-N 3.32Å; R596-A598 PolarHBondContact O-N 2.71Å; A598-T600 PolarHBondContact O-N 2.76Å
599I27.4Very low25.5Very low50 Ų5096.1 Ų96.126%0.25649%0.489SS..  trans-81.197.1179-59.8173.4000108.3N597 Q601 L628N597-I599 VanDerWaalsContact C-N 3.31Å; N597-I599 HydrophobicContact CB-CG1 4.31Å; N597-I599 PolarHBondContact O-N 3.03Å; I599-Q601 HydrophobicContact CG2-CG 4.08Å; I599-Q601 PolarHBondContact O-N 2.99Å; I599-Q601 VanDerWaalsContact O-N 3.17Å; I599-L628 HydrophobicContact CB-CD2 4.03Å; I599-L628 HydrophobicContact CG2-CD2 4.48Å
600T27.4Very low25.4Very low45 Ų4592.5 Ų92.528%0.27649%0.488SS..  trans-81.585.1169-53.30000109.1A598 I602A598-T600 PolarHBondContact O-N 2.76Å; T600-I602 HydrophobicContact CG2-CG1 4.22Å
601Q26.1Very low25.3Very low35 Ų3593.1 Ų93.116%0.16449%0.49CS..  trans-73.7128.9169.1-96.6-171.4-500110.4Q551 I599 Q630Q551-Q601 HydrophobicContact CB-CG 3.78Å; I599-Q601 HydrophobicContact CG2-CG 4.08Å; I599-Q601 PolarHBondContact O-N 2.99Å; I599-Q601 VanDerWaalsContact O-N 3.17Å; Q601-Q630 HydrophobicContact CB-CG 4.28Å
602I27.6Very low25.4Very low80 Ų8093 Ų9341%0.4149%0.489SS..  trans-11891.4175-55.5177.3000106.6T550 Q551 I552 T600T550-I602 HydrophobicContact CG2-CD1 3.83Å; T550-I602 HydrophobicContact CG2-CG1 4.34Å; Q551-I602 PolarHBondContact O-N 2.82Å; Q551-I602 VanDerWaalsContact O-N 3.11Å; I552-I602 WeakPolarHBondContact CA-O 3.15Å; T600-I602 HydrophobicContact CG2-CG1 4.22Å
603G28.4Very low25.4Very low21 Ų2188.6 Ų88.622%0.21648%0.483CS..SBendtrans-179.4164-172.800000113.2
604V30.7Very low25.4Very low67 Ų6786.8 Ų86.841%0.40648%0.482SS..  trans-82130.6176.5-176.60000109.3Q633V604-Q633 WeakPolarHBondContact CA-O 3.14Å
605S26.4Very low25.3Very low20 Ų2089.3 Ų89.314%0.1449%0.486CS..EExtended strand (participates in β ladder)trans-118.3136.2176.8-176.20000110.5Q633 T635S605-Q633 PolarHBondContact N-O 2.75Å; S605-T635 PolarHBondContact O-N 3.3Å
606K29.9Very low25.3Very low85 Ų8594.1 Ų94.137%0.3750%0.503SS..EExtended strand (participates in β ladder)trans-132.6121.4178.6-168.5170.6-173.5-73.90109D608K606-D608 IonicContact NZ-OD1 2.7Å; K606-D608 PolarHBondContact NZ-OD1 2.83Å; K606-D608 IonicContact NZ-OD2 3.44Å; K606-D608 PolarHBondContact NZ-OD2 2.96Å
607V27.3Very low25.3Very low64 Ų6487.4 Ų87.439%0.38850%0.504SS..  trans-131.6108.4-179.6179.30000107.3
608D26.1Very low25.2Very low56 Ų5692.6 Ų92.630%0.29952%0.519SS..  trans-97.3119.2170.9-57-72.9000107.1K606 N637K606-D608 IonicContact NZ-OD1 2.7Å; K606-D608 PolarHBondContact NZ-OD1 2.83Å; K606-D608 IonicContact NZ-OD2 3.44Å; K606-D608 PolarHBondContact NZ-OD2 2.96Å; D608-N637 PolarHBondContact OD1-ND2 3.37Å
609A23.1Very low25.2Very low60 Ų6094.7 Ų94.750%0.49653%0.53SS..  trans-133.1116.1-176.700000110.4
610G22.1Very low25.2Very low70 Ų7098 Ų9872%0.72256%0.555SS**  trans-115.8129.2168.900000108.7
611T22.8Very low25Very low108 Ų108104.6 Ų104.666%0.66358%0.579SS**  trans-131.4130.2-172.8-37.80000109.9D613T611-D613 VanDerWaalsContact CG2-CG 3.46Å; T611-D613 WeakPolarHBondContact CG2-OD1 3.05Å; T611-D613 WeakPolarHBondContact CG2-OD2 3.05Å
612Q22.9Very low24.8Very low178 Ų178113.3 Ų113.383%0.83261%0.611SS**  trans-129.381.6-179.5-179.8-172.2-2500106.9
613D23.6Very low24.6Very low139 Ų139114.9 Ų114.974%0.74363%0.629SS**  trans-98.4108.2-173.8-68.5-25.9000110.8T611T611-D613 VanDerWaalsContact CG2-CG 3.46Å; T611-D613 WeakPolarHBondContact CG2-OD1 3.05Å; T611-D613 WeakPolarHBondContact CG2-OD2 3.05Å
614D22.9Very low24.4Very low144 Ų144118.3 Ų118.377%0.7765%0.645SS**  trans-75.6161.6165.2-91.5-57.4000111.7H616D614-H616 PolarHBondContact O-N 2.88Å
615Y20.7Very low24Very low210 Ų210124 Ų12482%0.82467%0.665SS**  trans-62.2128-174.2-83.2-116.9000113.2
616H24Very low23.9Very low183 Ų183129.1 Ų129.185%0.84769%0.687SS**  -165.2157.8126.7-95.4-60.5000111.2D614 Y618D614-H616 PolarHBondContact O-N 2.88Å; H616-Y618 PolarHBondContact O-N 3.19Å
617G23.7Very low23.6Very low84 Ų84131 Ų13187%0.86671%0.705SS**  trans-74123.3-164.800000115
618Y22.6Very low23.5Very low191 Ų191131.8 Ų131.875%0.74971%0.706SS**  trans-108.5132.9174.9-96-86.3000112.8H616H616-Y618 PolarHBondContact O-N 3.19Å
619S23.5Very low23.6Very low99 Ų99132.5 Ų132.569%0.69272%0.715SS**  trans-76.2142.7173.550.90000111.7K621S619-K621 PolarHBondContact O-N 3.21Å
620P28.1Very low23.9Very low119 Ų119131.1 Ų131.177%0.77370%0.698SS**  trans-70.695.3-170.3-2134.4000113.8R622P620-R622 PolarHBondContact O-N 2.7Å
621K22.8Very low24.3Very low184 Ų184132.3 Ų132.380%0.869%0.687SS**  trans-63.5116.6165-72.4178.4179.2169.90108.6S619 S623S619-K621 PolarHBondContact O-N 3.21Å; K621-S623 PolarHBondContact O-N 3.41Å
622R21.3Very low24.7Very low217 Ų217128.1 Ų128.182%0.81967%0.666SS**  trans-59.9111177-63.9-179.7-175.1157.96109.5P620P620-R622 PolarHBondContact O-N 2.7Å
623S24.7Very low25.1Very low114 Ų114123.7 Ų123.780%0.79765%0.645SS**  trans-63.3146.1172.645.20000110.4K621 K625K621-S623 PolarHBondContact O-N 3.41Å; S623-K625 PolarHBondContact O-N 3.03Å
624V22.6Very low25.1Very low92 Ų92119.5 Ų119.556%0.55862%0.622SS**  trans-72.4126.6-176.8-174.70000109.2E626V624-E626 HydrophobicContact CG1-CG 3.99Å; V624-E626 PolarHBondContact O-N 3.41Å
625K23.4Very low25.6Very low188 Ų188114.3 Ų114.382%0.81760%0.595SS**  trans-81.362.7-177.7-163.2163.4-175.1164.30111.3S623S623-K625 PolarHBondContact O-N 3.03Å
626E23.6Very low25.9Very low127 Ų127107 Ų10759%0.59358%0.578SS**  trans-81.1122.7174.1-87.2168-150.900111V624 L628V624-E626 HydrophobicContact CG1-CG 3.99Å; V624-E626 PolarHBondContact O-N 3.41Å; E626-L628 PolarHBondContact O-N 2.79Å
627V23.3Very low26Very low124 Ų124101.3 Ų101.375%0.75255%0.554SS**  trans-9084.8178.6-176.10000108.8C629V627-C629 PolarHBondContact O-N 3.17Å
628L25.5Very low26Very low80 Ų80100.3 Ų100.342%0.41954%0.538SS..  trans-78.899.6176.9-80.4162.9000110.9I599 E626 Q630I599-L628 HydrophobicContact CB-CD2 4.03Å; I599-L628 HydrophobicContact CG2-CD2 4.48Å; E626-L628 PolarHBondContact O-N 2.79Å; L628-Q630 PolarHBondContact O-N 2.81Å
629C28.9Very low26.1Very low71 Ų7196.5 Ų96.548%0.4854%0.539SS..  trans-85.684168.9-163.70000109.1V627V627-C629 PolarHBondContact O-N 3.17Å
630Q29.2Very low26Very low31 Ų3197 Ų9715%0.14554%0.542CS..  trans-100.3114.5-174-174.7156.926.800111Q601 L628Q601-Q630 HydrophobicContact CB-CG 4.28Å; L628-Q630 PolarHBondContact O-N 2.81Å
631I30.4Very low25.7Very low95 Ų9599.9 Ų99.949%0.48754%0.544SS..  trans-101.395.6178.3-55.9175000107.5
632G31.4Very low25.8Very low21 Ų2197.3 Ų97.322%0.21654%0.544CS..SBendtrans-174.8169.2-174.800000113.5
633Q30.1Very low25.9Very low84 Ų8495.2 Ų95.239%0.39355%0.549SS..  trans-86.2126.3175.8-164.8178.613.400109.5V604 S605 V665 T667V604-Q633 WeakPolarHBondContact CA-O 3.14Å; S605-Q633 PolarHBondContact N-O 2.75Å; Q633-V665 WeakPolarHBondContact CG-O 3.08Å; Q633-T667 PolarHBondContact NE2-OG1 2.74Å
634I25Very low25.7Very low52 Ų5297.6 Ų97.627%0.26755%0.547SS..EExtended strand (participates in β ladder)trans-112.3125174.9-58.3179.6000108.1
635T33.7Very low25.7Very low34 Ų34102.1 Ų102.121%0.20956%0.562CS.*EExtended strand (participates in β ladder)trans-112.4116.4172.8-54.40000108.9S605S605-T635 PolarHBondContact O-N 3.3Å
636A26Very low25.6Very low56 Ų56102.9 Ų102.946%0.46356%0.561SS.*  trans-121.8116.5176.600000109
637N25.9Very low25.7Very low65 Ų65106.3 Ų106.335%0.34857%0.574SS.*  trans-97.9135.1174.4-61.2-37.6000108.9D608D608-N637 PolarHBondContact OD1-ND2 3.37Å
638A24.4Very low25.6Very low62 Ų62108.2 Ų108.251%0.51258%0.579SS.*  trans-132.5133.5174.500000109.8
639S24.8Very low25.4Very low112 Ų112112.9 Ų112.978%0.78360%0.599SS**  trans-130.6117.1177.91720000107.9
640C20Very low25Very low110 Ų110117.9 Ų117.974%0.74362%0.615SS**  trans-121.9111-176-60.70000110
641Q22.3Very low24.7Very low178 Ų178121.5 Ų121.583%0.83264%0.639SS**  trans-93.9128.6160.9-71.2176.9-31.500107.8
642T24.2Very low24.4Very low130 Ų130124 Ų12480%0.79865%0.653SS**  trans-113.1105.1177.249.50000109.6
643L23.5Very low24Very low174 Ų174132.9 Ų132.991%0.91169%0.685SS**  trans-83.8119172.8-170.968.5000108.6
644E21.4Very low23.6Very low163 Ų163137.4 Ų137.476%0.76270%0.704SS**  trans-76.9133.5-177.3-65.9-161.4148.300112.3
645H22.8Very low23.5Very low188 Ų188141 Ų14187%0.8773%0.731SS**  trans-143.9140.9161.3-119.8-100.7000111
646Y21.8Very low23Very low204 Ų204144.5 Ų144.580%0.875%0.752SS**  trans-85.5127.5-164.9-68.4-101.1000114.2
647K24.2Very low22.8Very low198 Ų198148.9 Ų148.986%0.86177%0.767SS**  171.5143.9113-93.5163.9-177.1175.70114.3
648L21.9Very low22.7Very low165 Ų165151.9 Ų151.986%0.86478%0.783SS**  trans57.6105.4156.6-116.4154.6000118.6Q650L648-Q650 PolarHBondContact O-N 2.85Å
649Q21.9Very low22.5Very low177 Ų177153.6 Ų153.683%0.82780%0.797SS**  trans-75121.8174.6-67.1178.8-6.800112.6
650Q20.7Very low22.6Very low177 Ų177152 Ų15283%0.82778%0.783SS**  trans-115.5142.2145.4-69.3-168400108.7L648 L652L648-Q650 PolarHBondContact O-N 2.85Å; Q650-L652 PolarHBondContact O-N 2.67Å
651T23.4Very low22.9Very low107 Ų107152.9 Ų152.966%0.65678%0.784SS**  trans-84113.5-164.2480000113.1K653T651-K653 PolarHBondContact O-N 3.44Å
652L23.1Very low23.2Very low148 Ų148148 Ų14878%0.77576%0.762SS**  trans-56.4123.7168-85.573000111.1Q650 K654Q650-L652 PolarHBondContact O-N 2.67Å; L652-K654 PolarHBondContact O-N 3.1Å
653K22.3Very low23.4Very low206 Ų206144.9 Ų144.990%0.89675%0.745SS**  trans-83.5102.3157.6-70.6-175.5177.3-177.60108.3T651T651-K653 PolarHBondContact O-N 3.44Å
654K23Very low23.7Very low180 Ų180137.9 Ų137.978%0.78371%0.714SS**PPolyproline II helixtrans-66.6139.5166.2-71.6-175.5176.4-178.20108.9L652 T656L652-K654 PolarHBondContact O-N 3.1Å; K654-T656 PolarHBondContact O-N 2.79Å
655P22.9Very low24.2Very low127 Ų127132.7 Ų132.783%0.82569%0.694SS**PPolyproline II helixtrans-67.9126.3173.927.9-32.9000110
656T22.1Very low24.3Very low107 Ų107127.1 Ų127.166%0.65667%0.67SS**PPolyproline II helixtrans-66.3146.8168.125.20000110.3K654 D700K654-T656 PolarHBondContact O-N 2.79Å; T656-D700 WeakPolarHBondContact CG2-OD2 3.3Å
657L22.8Very low24.8Very low148 Ų148119 Ų11978%0.77564%0.641SS**  trans-117.693.4-172.1-166.1127.9000109.8A659 V660L657-A659 PolarHBondContact O-N 3.28Å; L657-V660 HydrophobicContact CD2-CG2 3.91Å
658D22.3Very low24.8Very low129 Ų129115.8 Ų115.869%0.6963%0.627SS**  trans-55.6121.9-174.5-71.6-29.4000113.3V660D658-V660 PolarHBondContact O-N 3.5Å
659A21.6Very low24.9Very low98 Ų98111.9 Ų111.981%0.8161%0.608SS**  trans39.177.1151.900000117.5L657L657-A659 PolarHBondContact O-N 3.28Å
660V26.1Very low25Very low79 Ų79107.5 Ų107.548%0.47959%0.59SS.*  trans-95.5110.5163.3-1750000109.9L657 D658 Q662L657-V660 HydrophobicContact CD2-CG2 3.91Å; D658-V660 PolarHBondContact O-N 3.5Å; V660-Q662 HydrophobicContact CG1-CB 4.26Å; V660-Q662 PolarHBondContact O-N 3Å
661V27.2Very low25.1Very low127 Ų127103.7 Ų103.777%0.7758%0.582SS**  trans-78.1101.7172.2-178.40000108.7
662Q27.9Very low25.1Very low77 Ų77103.9 Ų103.936%0.3658%0.584SS.*  trans-120133.6-171.1-157.6168.314.700112.4V660V660-Q662 HydrophobicContact CG1-CB 4.26Å; V660-Q662 PolarHBondContact O-N 3Å
663S28.4Very low25.1Very low63 Ų63104.5 Ų104.544%0.44158%0.583SS.*  trans-126.3111.1179.8-174.20000109.9
664G29.2Very low25.1Very low27 Ų2799.5 Ų99.528%0.27857%0.573SS.*SBendtrans174.3168.9-176.600000112.4
665V33.1Very low25.1Very low54 Ų5498.8 Ų98.833%0.32757%0.573SS.*  trans-94.8125.6176.6-176.20000109.4Q633 Q707Q633-V665 WeakPolarHBondContact CG-O 3.08Å; V665-Q707 WeakPolarHBondContact CA-O 3.41Å; V665-Q707 HydrophobicContact CG2-CB 4.2Å
666I24.7Very low25Very low72 Ų72103.2 Ų103.237%0.36958%0.575SS.*EExtended strand (participates in β ladder)trans-100.4133.5175-58.8175.5000108.8T709I666-T709 PolarHBondContact O-N 3.36Å
667T31.2Very low25Very low32 Ų32105 Ų10520%0.19658%0.579CS.*EExtended strand (participates in β ladder)trans-122.5123170.5-49.40000108.2Q633Q633-T667 PolarHBondContact NE2-OG1 2.74Å
668K25Very low25Very low131 Ų131104.1 Ų104.157%0.5758%0.58SS**EExtended strand (participates in β ladder)trans-133.4107.5-170.8-171.2178.2-177-179.40110.2
669N24.3Very low25.1Very low84 Ų84106.8 Ų106.845%0.44959%0.588SS.*  trans-102.5107.7178-69.7-8000109.4
670N23.1Very low25.2Very low85 Ų85108.2 Ų108.246%0.45559%0.587SS.*  trans-98.7128.1167.9-81.936.2000109.1
671S24Very low25Very low96 Ų96110.6 Ų110.667%0.67160%0.601SS**  trans-110.7151.2158.3-177.40000108.2
672T21.9Very low24.9Very low112 Ų112111 Ų11169%0.68760%0.604SS**  trans-146.3116.3-179.9-53.40000109.5
673Q23.6Very low24.6Very low161 Ų161115.6 Ų115.675%0.75262%0.623SS**  trans-118.3111.5-177.7-178.8-179.80.500107.9
674S23.3Very low24.3Very low100 Ų100120.7 Ų120.770%0.69964%0.642SS**  trans-112.7115178.159.10000110.1
675E22.8Very low24.1Very low166 Ų166126.6 Ų126.678%0.77667%0.667SS**  trans-97.8120.1-178.3-167.1160.5-138.300110.2I677E675-I677 PolarHBondContact O-N 3.49Å
676Y19.8Very low23.6Very low219 Ų219131.2 Ų131.286%0.85969%0.688SS**  trans-82.4105.8-178.5-101.3-87.6000110.7
677I21.8Very low23.7Very low146 Ų146132.6 Ų132.675%0.74970%0.701SS**  trans-95.3117.6168.9-58.5-179.7000108.7E675E675-I677 PolarHBondContact O-N 3.49Å
678T23.2Very low23.3Very low129 Ų129140.1 Ų140.179%0.79174%0.735SS**  trans-82.8121.3176.246.90000111.3
679E24.2Very low23.2Very low185 Ų185139 Ų13986%0.86474%0.743SS**  trans-141.4167.9163.1-133.1168.6-129.200113.7
680T24.8Very low23.1Very low127 Ų127144.4 Ų144.478%0.77977%0.765SS**  trans-90.1134.5-141.946.10000116.8V682T680-V682 PolarHBondContact O-N 2.81Å
681V21.9Very low23Very low130 Ų130150.2 Ų150.279%0.78879%0.787SS**  trans-19114.1158.1-175.60000115.7
682V24.2Very low23Very low135 Ų135150.3 Ų150.382%0.81879%0.794SS**  trans-127.8124.5144.91790000107.6T680T680-V682 PolarHBondContact O-N 2.81Å
683K22.6Very low23Very low174 Ų174149.2 Ų149.276%0.75780%0.796SS**  trans-76.7129.6174.3-71.8-173.8175.6-1720110.1
684M20.9Very low22.9Very low170 Ų170152.8 Ų152.884%0.83780%0.803SS**  trans-146.2101158.1-149.1172.675.400108.3I686M684-I686 PolarHBondContact O-N 3.04Å
685D25Very low22.8Very low151 Ų151156.1 Ų156.181%0.80780%0.804SS**  trans-70.9111.8-171.9-63.9-62.4000110.9
686I23.8Very low22.6Very low151 Ų151159.1 Ų159.177%0.77481%0.81SS**  trans-81123.6178.4-60.6175.9000108.8M684M684-I686 PolarHBondContact O-N 3.04Å
687P25.5Very low22.8Very low100 Ų100153.2 Ų153.265%0.64980%0.801SS**  trans-74134.8-179.129.1-34.2000112.4S689P687-S689 PolarHBondContact O-N 3.22Å; P687-S689 VanDerWaalsContact O-N 3.15Å
688E24.2Very low22.8Very low191 Ų191152.2 Ų152.289%0.89380%0.802SS**  trans-71.5102.4177.9-65.1172.3111.400111.9
689S22.7Very low22.8Very low107 Ų107151.9 Ų151.975%0.74879%0.794SS**  trans-144.755.4171.961.30000113.8P687P687-S689 PolarHBondContact O-N 3.22Å; P687-S689 VanDerWaalsContact O-N 3.15Å
690Q22.3Very low22.7Very low197 Ų197148.3 Ų148.392%0.92178%0.781SS**  trans-113.6110.8165.1-70-156.2-10.400112.5A692Q690-A692 PolarHBondContact O-N 2.87Å
691K21.8Very low22.5Very low207 Ų207147.3 Ų147.390%0.979%0.785SS**  trans-58.1130.3158.6-73.7179.6175.2178.10108.2A693K691-A693 PolarHBondContact O-N 3.21Å
692A23.6Very low22.6Very low99 Ų99147.2 Ų147.282%0.81878%0.779SS**  trans-65.2101.6178.600000111.2Q690 R694Q690-A692 PolarHBondContact O-N 2.87Å; A692-R694 PolarHBondContact O-N 3.48Å; A692-R694 VanDerWaalsContact O-N 3.16Å
693A20.6Very low22.7Very low89 Ų89145.3 Ų145.374%0.73677%0.771SS**  trans-68.3108.5169.100000109K691 K695K691-A693 PolarHBondContact O-N 3.21Å; A693-K695 PolarHBondContact O-N 2.87Å
694R21.7Very low22.9Very low236 Ų236140.1 Ų140.189%0.89175%0.749SS**  trans-62.8102.2174.3-73.3-177.9174175.7-2.3109.2A692A692-R694 PolarHBondContact O-N 3.48Å; A692-R694 VanDerWaalsContact O-N 3.16Å
695K20.9Very low23.2Very low170 Ų170136.8 Ų136.874%0.73973%0.734SS**  trans-72.7128.3171.3-71.3-178.6177.8176.30109.2A693A693-K695 PolarHBondContact O-N 2.87Å
696Y20.5Very low23.6Very low228 Ų228131 Ų13189%0.89471%0.71SS**  trans-73.9122168.4-64.4-90.4000109.3
697S23.2Very low24Very low95 Ų95127.5 Ų127.566%0.66469%0.69SS**  trans-94.4108.8163.8520000108.7
698V22.2Very low24.1Very low126 Ų126124.9 Ų124.976%0.76467%0.672SS**  trans-80.4129.2164.3-177.80000106.8
699L23.1Very low24.6Very low122 Ų122117.6 Ų117.664%0.63964%0.641SS**  trans-114.9102.2-174.4-77.6162.2000109
700D21.4Very low24.8Very low110 Ų110117.6 Ų117.659%0.58863%0.629SS**  trans-79.6133.1177-62.7-41.5000110.9T656T656-D700 WeakPolarHBondContact CG2-OD2 3.3Å
701A20.8Very low25.1Very low105 Ų105110.9 Ų110.987%0.86860%0.601SS**  trans-88.3112.8-18000000111.6
702I23.5Very low25.2Very low129 Ų129104.4 Ų104.466%0.66258%0.579SS**  trans-97.9126.8175.7-57.7176.5000109.6
703C26.3Very low25.2Very low94 Ų94102 Ų10264%0.63556%0.564SS**EExtended strand (participates in β ladder)trans-103.4124.4174.2-172.70000109.9
704Q27Very low25.4Very low65 Ų65103.5 Ų103.530%0.30456%0.564SS.*EExtended strand (participates in β ladder)trans-139.7136.6-169.4-161.3176.352.800112.4
705I28.4Very low25.4Very low101 Ų101101 Ų10152%0.51856%0.563SS.*EExtended strand (participates in β ladder)trans-128.9108.8-172.4-54.5174.1000109.5
706G32.4Very low25.5Very low29 Ų2998.4 Ų98.430%0.29956%0.561SS.*SBendtrans172.3173.9-179.500000114.6G752G706-G752 WeakPolarHBondContact O-CA 3.31Å
707Q31.5Very low25.7Very low77 Ų7794.7 Ų94.736%0.3655%0.552SS.*  trans-90.6144.9167.5-72.4-152.3-106.100110.9V665 R753V665-Q707 WeakPolarHBondContact CA-O 3.41Å; V665-Q707 HydrophobicContact CG2-CB 4.2Å; Q707-R753 WeakPolarHBondContact CA-O 3.18Å; Q707-R753 WeakPolarHBondContact CB-O 3.35Å; Q707-R753 HydrophobicContact CG-CB 4.16Å; Q707-R753 WeakPolarHBondContact CG-O 3.37Å; Q707-R753 PolarHBondContact NE2-O 3.02Å
708V27.3Very low25.7Very low46 Ų4695.7 Ų95.728%0.27955%0.554SS.*EExtended strand (participates in β ladder)trans-120.3135.5172.8-178.50000109.2T755V708-T755 PolarHBondContact O-N 3.39Å
709T34.7Very low25.7Very low38 Ų3897.3 Ų97.323%0.23355%0.55CS.*EExtended strand (participates in β ladder)trans-125.5111.8173.4-54.30000109.1I666I666-T709 PolarHBondContact O-N 3.36Å
710Q27.4Very low25.6Very low107 Ų10798.6 Ų98.650%0.556%0.558SS.*EExtended strand (participates in β ladder)trans-107.1143.1179-169.9174.97.100110.1N757Q710-N757 PolarHBondContact O-N 2.88Å
711T30Very low25.8Very low55 Ų5599.9 Ų99.934%0.33757%0.57SS.*EExtended strand (participates in β ladder)trans-137.9130.1171.1-61.20000108.3N757T711-N757 WeakPolarHBondContact CA-O 3.43Å
712T22.5Very low25.9Very low71 Ų71103.7 Ų103.744%0.43657%0.57SS.*EExtended strand (participates in β ladder)trans-132.2131.6-174.6-38.70000108.4
713G24.7Very low26Very low48 Ų48108.4 Ų108.450%0.49558%0.579SS.*  trans-137.7137.2174.900000109.7
714T23.3Very low25.9Very low122 Ų122110.6 Ų110.675%0.74859%0.585SS**  trans-128.1125.1-175.1-47.90000108.9
715Q23.5Very low25.7Very low183 Ų183117 Ų11786%0.85561%0.612SS**  trans-119.1138.4178.6-168.4176.615.800109
716T22.8Very low25.6Very low116 Ų116121.3 Ų121.371%0.71263%0.627SS**  trans-144.5110.9-178.3-51.90000109.5V718T716-V718 HydrophobicContact CG2-CG2 4.38Å
717E23.3Very low25.3Very low150 Ų150127.4 Ų127.470%0.70165%0.652SS**  trans-100.9111.5-179.1-162.4-164.7149.600110.4K719E717-K719 IonicContact OE1-NZ 2.68Å; E717-K719 PolarHBondContact OE1-NZ 3.23Å; E717-K719 IonicContact OE2-NZ 2.75Å
718V22.7Very low25Very low115 Ų115131.6 Ų131.670%0.69768%0.676SS**  trans-99.198.6-179.6-177.60000109.6T716 N720T716-V718 HydrophobicContact CG2-CG2 4.38Å; V718-N720 PolarHBondContact O-N 3.29Å
719K23Very low24.7Very low160 Ų160132.9 Ų132.970%0.69670%0.699SS**  trans-78.1112172.7-81.8-171.4173.869.50111E717E717-K719 IonicContact OE1-NZ 2.68Å; E717-K719 PolarHBondContact OE1-NZ 3.23Å; E717-K719 IonicContact OE2-NZ 2.75Å
720N22.1Very low24.1Very low149 Ų149137.9 Ų137.980%0.79773%0.729SS**  trans-63.4139.6169.6-72.7-44.3000111.3V718V718-N720 PolarHBondContact O-N 3.29Å
721T24Very low23.8Very low137 Ų137141.4 Ų141.484%0.8475%0.746SS**  trans-147.7115.3157-63.50000109.4
722E23.7Very low23.4Very low186 Ų186143 Ų14387%0.86976%0.764SS**  trans-76.1136.1177.7-59.5175.595.300111.4
723R24.6Very low23.4Very low227 Ų227147.5 Ų147.586%0.85778%0.781SS**  trans-155.8115.6152-117.9166.5-171-170.91.6114.3
724N26Very low23.2Very low140 Ų140153.8 Ų153.875%0.74980%0.799SS**  trans33.6100.6150.4-56.9-20.9000117.3
725K22.3Very low23.1Very low199 Ų199157.5 Ų157.587%0.86581%0.805SS**  37.585.471.9-63.6-179.8177.2169.10114
726K25.1Very low23.1Very low193 Ų193157 Ų15784%0.83980%0.8SS**  trans156.3101.5134.3-87.5170.1-179.6-178.50111.3
727N27Very low22.9Very low156 Ų156156.2 Ų156.283%0.83481%0.805SS**  -172.2171.2122.2-96-19000110.9
728L24.3Very low22.8Very low165 Ų165159.1 Ų159.186%0.86481%0.81SS**  trans-58.7150.8-174.9-62.576.7000110.9
729G21.8Very low22.7Very low74 Ų74162.3 Ų162.376%0.76382%0.817SS**  cis12340.916.900000111.9
730V22Very low22.6Very low142 Ų142162.6 Ų162.686%0.86182%0.82SS**  trans-126.9121.6169.7179.30000107.4A732V730-A732 PolarHBondContact O-N 3.49Å
731Q21.4Very low22.6Very low182 Ų182160.8 Ų160.885%0.8582%0.815SS**  trans-93.978.1-167.1-170.9171.2-6.200110.9E733Q731-E733 PolarHBondContact O-N 2.85Å
732A20.4Very low22.4Very low87 Ų87159.9 Ų159.972%0.71981%0.809SS**  trans-77.7113.2171.700000109.9V730 M734V730-A732 PolarHBondContact O-N 3.49Å; A732-M734 PolarHBondContact O-N 3.5Å
733E22.6Very low22.3Very low167 Ų167155.7 Ų155.778%0.7879%0.793SS**  trans-67.2125.8-176.6-66.4-167.2124.600112.5Q731 K735Q731-E733 PolarHBondContact O-N 2.85Å; E733-K735 PolarHBondContact O-N 2.94Å
734M21.1Very low22.2Very low180 Ų180149.8 Ų149.889%0.88778%0.782SS**  trans-74.382.5-177.2-62.4171.672.900111.2A732 K736A732-M734 PolarHBondContact O-N 3.5Å; M734-K736 PolarHBondContact O-N 3.27Å
735K22.1Very low22.1Very low199 Ų199148.5 Ų148.587%0.86578%0.775SS**  trans-65.896.6167.5-81-172.4176.5177.70109.7E733 A737E733-K735 PolarHBondContact O-N 2.94Å; K735-A737 PolarHBondContact O-N 3.19Å
736K22.5Very low22.1Very low174 Ų174146.4 Ų146.476%0.75777%0.768SS**  trans-35.8115-179.3-60.5175-179.5179.30112.3M734 W738M734-K736 PolarHBondContact O-N 3.27Å; K736-W738 PolarHBondContact O-N 3.3Å; K736-W738 VanDerWaalsContact O-N 3.12Å
737A19.9Very low21.9Very low98 Ų98141.7 Ų141.781%0.8177%0.765SS**  trans-62.7111160.100000107.7K735 Q739K735-A737 PolarHBondContact O-N 3.19Å; A737-Q739 PolarHBondContact O-N 2.84Å; A737-Q739 VanDerWaalsContact O-N 3.16Å
738W20.6Very low21.7Very low212 Ų212137.5 Ų137.580%0.80375%0.752SS**  trans-71.9110.2176.1-81.876.5000108.7K736 H740K736-W738 PolarHBondContact O-N 3.3Å; K736-W738 VanDerWaalsContact O-N 3.12Å; W738-H740 VanDerWaalsContact C-N 3.29Å; W738-H740 PolarHBondContact O-N 3.23Å
739Q19.8Very low21.8Very low182 Ų182133.4 Ų133.485%0.8574%0.736SS**  trans-62.594.9165.8-71.4173.9-54.700108.2A737 T741A737-Q739 PolarHBondContact O-N 2.84Å; A737-Q739 VanDerWaalsContact O-N 3.16Å; Q739-T741 PolarHBondContact O-N 2.89Å
740H20.9Very low22.1Very low165 Ų165133.2 Ų133.276%0.76472%0.716SS**  trans-67.888.1167.2-88.1-81.9000108.6W738 V742W738-H740 VanDerWaalsContact C-N 3.29Å; W738-H740 PolarHBondContact O-N 3.23Å; H740-V742 PolarHBondContact O-N 3.47Å
741T22.4Very low22.5Very low112 Ų112130.3 Ų130.369%0.68770%0.695SS**  trans-57.8107.8157.6-58.20000106.1Q739 N743Q739-T741 PolarHBondContact O-N 2.89Å; T741-N743 PolarHBondContact O-N 3.19Å; T741-N743 VanDerWaalsContact O-N 3.08Å
742V20.5Very low22.9Very low118 Ų118122.7 Ų122.772%0.71567%0.665SS**  trans-78.993.8179.4179.50000107.1H740 T744H740-V742 PolarHBondContact O-N 3.47Å; V742-T744 PolarHBondContact O-N 2.99Å; V742-T744 VanDerWaalsContact O-N 3.12Å
743N22.1Very low23.4Very low98 Ų98123.7 Ų123.752%0.52465%0.65SS.*  trans-59.5115.3169.9-70.317.9000108.4T741 N745T741-N743 PolarHBondContact O-N 3.19Å; T741-N743 VanDerWaalsContact O-N 3.08Å; N743-N745 PolarHBondContact O-OD1 3.23Å
744T22.4Very low23.6Very low102 Ų102117.9 Ų117.963%0.62662%0.624SS**  trans-86.2105.5172.543.90000108.5V742 E746V742-T744 PolarHBondContact O-N 2.99Å; V742-T744 VanDerWaalsContact O-N 3.12Å; T744-E746 VanDerWaalsContact C-N 3.3Å; T744-E746 PolarHBondContact O-N 3.35Å
745N22.8Very low24.1Very low114 Ų114110.7 Ų110.761%0.6159%0.59SS**  trans-7379.1-175.8-59.3-6.7000111.2N743N743-N745 PolarHBondContact O-OD1 3.23Å
746E22.1Very low24.3Very low154 Ų154104.3 Ų104.372%0.7257%0.565SS**  trans-89.7109.6178.6-68.5-177.4-176.200111.2T744 A748T744-E746 VanDerWaalsContact C-N 3.3Å; T744-E746 PolarHBondContact O-N 3.35Å; E746-A748 PolarHBondContact O-N 3.31Å
747A21.3Very low24.4Very low94 Ų9499.1 Ų99.178%0.77755%0.545SS*.  trans-87.288.5177.700000111.3
748A23.4Very low24.7Very low68 Ų6897.6 Ų97.656%0.56253%0.533SS*.  trans-88.8132.5177.800000112.6E746E746-A748 PolarHBondContact O-N 3.31Å
749C26.9Very low24.8Very low79 Ų7991.8 Ų91.853%0.53452%0.524SS..EExtended strand (participates in β ladder)trans-106.6110.7168.2-1730000108.4
750Q27.9Very low25Very low70 Ų7089 Ų8933%0.32752%0.52SS..EExtended strand (participates in β ladder)trans-136.4132.8-167.8-154.5173.139.400112.6
751I28.9Very low25Very low82 Ų8290.2 Ų90.242%0.42153%0.526SS..EExtended strand (participates in β ladder)trans-115.5104.5-176.1-56.2174.5000107.8
752G30Very low24.9Very low22 Ų2292.8 Ų92.823%0.22753%0.532CS..SBendtrans173.3161.7-172.700000116.1G706 I786G706-G752 WeakPolarHBondContact O-CA 3.31Å; G752-I786 PolarHBondContact N-O 2.89Å
753R30.7Very low25.1Very low107 Ų10792.5 Ų92.540%0.40454%0.535SS..  trans-98.5122.3177.5174-178.2179.9-180-2.5110.5Q707 K788 E790Q707-R753 WeakPolarHBondContact CA-O 3.18Å; Q707-R753 WeakPolarHBondContact CB-O 3.35Å; Q707-R753 HydrophobicContact CG-CB 4.16Å; Q707-R753 WeakPolarHBondContact CG-O 3.37Å; Q707-R753 PolarHBondContact NE2-O 3.02Å; R753-K788 WeakPolarHBondContact CA-O 3.48Å; R753-K788 WeakPolarHBondContact CG-O 3.46Å; R753-E790 IonicContact CZ-OE1 3.27Å; R753-E790 IonicContact CZ-OE2 3.25Å; R753-E790 IonicContact NE-OE2 2.64Å; R753-E790 IonicContact NH2-OE1 3.44Å; R753-E790 PolarHBondContact NH2-OE1 2.72Å; R753-E790 VanDerWaalsContact NH2-OE1 3.1Å; R753-E790 IonicContact NH2-OE2 2.75Å; R753-E790 PolarHBondContact NH2-OE2 3.1Å
754I27.7Very low25.1Very low45 Ų4593.8 Ų93.823%0.23155%0.549CS..EExtended strand (participates in β ladder)trans-100.5138.3-179.3-54.2176.6000109.8I756 E790I754-I756 HydrophobicContact CG2-CD1 4.23Å; I754-I756 HydrophobicContact CG2-CG1 3.72Å; I754-E790 PolarHBondContact O-N 3.38Å
755T32.2Very low25.2Very low30 Ų3097.7 Ų97.718%0.18456%0.563CS.*EExtended strand (participates in β ladder)trans-124.6120.9169-57.90000109V708V708-T755 PolarHBondContact O-N 3.39Å
756I24.6Very low25.2Very low64 Ų64100.8 Ų100.833%0.32858%0.575SS.*EExtended strand (participates in β ladder)trans-112.9117.2-176.1-52.2-179.6000109.3I754I754-I756 HydrophobicContact CG2-CD1 4.23Å; I754-I756 HydrophobicContact CG2-CG1 3.72Å
757N26Very low25.2Very low66 Ų66100 Ų10035%0.35358%0.581SS.*EExtended strand (participates in β ladder)trans-107.7114.6173.3-67.1-15.5000108.7Q710 T711Q710-N757 PolarHBondContact O-N 2.88Å; T711-N757 WeakPolarHBondContact CA-O 3.43Å
758A25.6Very low25.4Very low65 Ų65100.9 Ų100.954%0.53758%0.582SS.*EExtended strand (participates in β ladder)trans-123.4124.5178.700000110.1
759S23.9Very low25.4Very low90 Ų90106.8 Ų106.863%0.62960%0.595SS**  trans-115.5130.4174.8-61.30000108.6
760T23Very low25.1Very low125 Ų125111.3 Ų111.377%0.76761%0.608SS**  trans-130.8107.1-178.5-520000109.3M762T760-M762 HydrophobicContact CG2-CG 4.28Å
761E21.8Very low24.9Very low190 Ų190116.4 Ų116.489%0.88863%0.632SS**  trans-101.5100.9-176.8-170.3168.2-134.600109.2
762M20.2Very low24.5Very low165 Ų165117.6 Ų117.681%0.81364%0.642SS**  trans-99.9114.5177.9-70.3-163.6-63.400111T760T760-M762 HydrophobicContact CG2-CG 4.28Å
763S23.5Very low24.1Very low112 Ų112123.3 Ų123.378%0.78367%0.666SS**  trans-70.6135.5164.5-170.90000109.9M765S763-M765 PolarHBondContact O-N 3.28Å; S763-M765 VanDerWaalsContact O-N 3.08Å
764P23.2Very low23.6Very low125 Ų125126.2 Ų126.281%0.81268%0.682SS**  trans-78.297.7-167.330-35.8000113.2
765M23.7Very low23.3Very low185 Ų185132.1 Ų132.191%0.91171%0.708SS**  trans-81.3144.2163.2-164.6164.169.100110.8S763S763-M765 PolarHBondContact O-N 3.28Å; S763-M765 VanDerWaalsContact O-N 3.08Å
766M23.5Very low22.8Very low178 Ų178137.1 Ų137.188%0.87773%0.734SS**  trans-68.3138.7-162.9-57.2-173.485.500114.2S768M766-S768 PolarHBondContact O-N 3.4Å; M766-S768 VanDerWaalsContact O-N 3.11Å
767V21.8Very low22.7Very low138 Ų138141.7 Ų141.784%0.83676%0.758SS**  trans-74.598.8-179.2-177.70000111.5
768S24.3Very low22.5Very low113 Ų113147.8 Ų147.879%0.7978%0.781SS**  trans-96.192.2164.760.30000110.7M766 E770M766-S768 PolarHBondContact O-N 3.4Å; M766-S768 VanDerWaalsContact O-N 3.11Å; S768-E770 PolarHBondContact O-N 2.96Å
769K23.6Very low22.4Very low192 Ų192154.4 Ų154.484%0.83580%0.798SS**  trans31.580.6167.6-70.6-171.6174.8-175.40116.4E771K769-E771 PolarHBondContact O-N 3.09Å; K769-E771 VanDerWaalsContact O-N 3.11Å
770E21.1Very low22.4Very low173 Ų173153.2 Ų153.281%0.80879%0.789SS**  17.386.3117.9-169.7172.5-139.200115.9S768 V772S768-E770 PolarHBondContact O-N 2.96Å; E770-V772 HydrophobicContact CG-CG2 4.25Å
771E23.2Very low22.4Very low178 Ų178152.5 Ų152.583%0.83278%0.78SS**  trans-119.7116.1150.5-169164.9-12100107.4K769 I773K769-E771 PolarHBondContact O-N 3.09Å; K769-E771 VanDerWaalsContact O-N 3.11Å; E771-I773 PolarHBondContact O-N 3.33Å
772V21.3Very low22.4Very low106 Ų106151.1 Ų151.164%0.64278%0.778SS**  trans-79.783.9-165.5-174.90000110.1E770 K774E770-V772 HydrophobicContact CG-CG2 4.25Å; V772-K774 VanDerWaalsContact C-N 3.28Å; V772-K774 HydrophobicContact CG1-CG 4.16Å; V772-K774 PolarHBondContact O-N 3.16Å
773I22Very low22.6Very low142 Ų142148.9 Ų148.973%0.72877%0.768SS**  trans-66.493.6165-58.8-178.8000107.6E771 Q775E771-I773 PolarHBondContact O-N 3.33Å; I773-Q775 HydrophobicContact CG2-CB 4.46Å; I773-Q775 PolarHBondContact O-N 3.25Å
774K20.5Very low22.7Very low169 Ų169147.9 Ų147.974%0.73576%0.76SS**  trans-64.786.4164.1-67.9-174.8179.4-178.30108.4V772 D776V772-K774 VanDerWaalsContact C-N 3.28Å; V772-K774 HydrophobicContact CG1-CG 4.16Å; V772-K774 PolarHBondContact O-N 3.16Å; K774-D776 PolarHBondContact O-N 2.86Å
775Q20.5Very low22.8Very low168 Ų168146.7 Ų146.779%0.78574%0.743SS**  trans-77.882.8172-162.4167.33.300107.4I773 I777I773-Q775 HydrophobicContact CG2-CB 4.46Å; I773-Q775 PolarHBondContact O-N 3.25Å; Q775-I777 PolarHBondContact O-N 3.37Å
776D21.6Very low22.9Very low136 Ų136143.6 Ų143.673%0.72773%0.729SS**  trans-58.6103-179-78.1-39.4000110K774 K778K774-D776 PolarHBondContact O-N 2.86Å; D776-K778 PolarHBondContact O-N 3.23Å
777I22.2Very low23.1Very low160 Ų160137.2 Ų137.282%0.82171%0.709SS**  trans-66.697.3176.5-59.4175.7000107.1Q775 K779Q775-I777 PolarHBondContact O-N 3.37Å; I777-K779 PolarHBondContact O-N 3.33Å
778K22.2Very low23.4Very low193 Ų193135.4 Ų135.484%0.83969%0.69SS**  trans-64.9105.8177-70.4-172.3176.9-176.20109D776 S780D776-K778 PolarHBondContact O-N 3.23Å; K778-S780 PolarHBondContact O-N 2.87Å
779K24.1Very low23.5Very low205 Ų205133.2 Ų133.289%0.89167%0.671SS**  trans-58.4107.8173.2-63.1179.9179.1-178.20109.6I777I777-K779 PolarHBondContact O-N 3.33Å
780S22.7Very low23.7Very low64 Ų64126.9 Ų126.945%0.44865%0.645SS.*  trans-93.7159.7147.864.90000108.7K778K778-S780 PolarHBondContact O-N 2.87Å
781D23.4Very low23.8Very low110 Ų110124 Ų12459%0.58863%0.633SS**  trans114.7132.5159.2-53.1-4.3000114.8
782I22Very low23.9Very low162 Ų162120.4 Ų120.483%0.83162%0.623SS**  trans-105.3105.4-176.2-59.1172000106.9
783I23.4Very low24Very low118 Ų118123.2 Ų123.261%0.60563%0.627SS**  trans-108.9111.1-176.2-48.3179.3000109.9Q785I783-Q785 HydrophobicContact CG2-CB 4.03Å; I783-Q785 PolarHBondContact O-N 3.15Å
784C25.9Very low23.9Very low90 Ų90121.6 Ų121.661%0.60863%0.628SS**  trans-85.395.6165-78.80000109.3
785Q25.8Very low23.9Very low100 Ų100119.6 Ų119.647%0.46763%0.63SS.*EExtended strand (participates in β ladder)trans-110.5124.2-175.5-168.9170.916.700112.2I783I783-Q785 HydrophobicContact CG2-CB 4.03Å; I783-Q785 PolarHBondContact O-N 3.15Å
786I26.3Very low23.9Very low121 Ų121119.9 Ų119.962%0.62163%0.631SS**EExtended strand (participates in β ladder)trans-117.592.8170.9-55.5178.1000108.3G752G752-I786 PolarHBondContact N-O 2.89Å
787G26.9Very low23.9Very low43 Ų43119 Ų11944%0.44363%0.631SS.*SBendtrans167.8151.5177.200000114.5
788K27.4Very low23.8Very low100 Ų100118.2 Ų118.244%0.43563%0.629SS.*  trans-74.2141.9173.1-167.9-172.9-176.9-165.80110R753 E790R753-K788 WeakPolarHBondContact CA-O 3.48Å; R753-K788 WeakPolarHBondContact CG-O 3.46Å; K788-E790 VanDerWaalsContact CE-OE1 3.29Å; K788-E790 WeakPolarHBondContact CE-OE1 3.45Å; K788-E790 IonicContact NZ-OE1 2.63Å; K788-E790 PolarHBondContact NZ-OE1 2.86Å
789V27.1Very low23.6Very low67 Ų67113.5 Ų113.541%0.40663%0.625SS.*EExtended strand (participates in β ladder)trans-109.1139.9167.6179.10000109
790E27.5Very low23.5Very low60 Ų60110 Ų11028%0.2862%0.621SS.*EExtended strand (participates in β ladder)trans-126.7131.6168.6-86.3164.8-156.400109.9R753 I754 K788R753-E790 IonicContact CZ-OE1 3.27Å; R753-E790 IonicContact CZ-OE2 3.25Å; R753-E790 IonicContact NE-OE2 2.64Å; R753-E790 IonicContact NH2-OE1 3.44Å; R753-E790 PolarHBondContact NH2-OE1 2.72Å; R753-E790 VanDerWaalsContact NH2-OE1 3.1Å; R753-E790 IonicContact NH2-OE2 2.75Å; R753-E790 PolarHBondContact NH2-OE2 3.1Å; I754-E790 PolarHBondContact O-N 3.38Å; K788-E790 VanDerWaalsContact CE-OE1 3.29Å; K788-E790 WeakPolarHBondContact CE-OE1 3.45Å; K788-E790 IonicContact NZ-OE1 2.63Å; K788-E790 PolarHBondContact NZ-OE1 2.86Å
791M22.7Very low23.4Very low112 Ų112116 Ų11655%0.55264%0.642SS**  trans-128106.8-174.7-178.6-178.3-74.300109.3K793M791-K793 HydrophobicContact CG-CG 4.45Å
792T26.3Very low23.3Very low102 Ų102119.7 Ų119.763%0.62665%0.653SS**  trans-100.7111178.9-52.50000109.1
793K22.5Very low23.2Very low166 Ų166118.8 Ų118.872%0.72265%0.649SS**  trans-99.7134.5172.9-69.7-177.6178.9177.10109.8M791M791-K793 HydrophobicContact CG-CG 4.45Å
794S20.3Very low23.1Very low108 Ų108121.3 Ų121.376%0.75566%0.656SS**  trans-121.2153.7162.860.50000108.9
795T21Very low22.8Very low127 Ų127123.1 Ų123.178%0.77966%0.664SS**  trans-148.8116.8-178.5-58.90000107.4
796Q20.8Very low22.6Very low173 Ų173124.4 Ų124.481%0.80868%0.679SS**  trans-114.2120.8179-174.1169-4.300109.3
797T20.7Very low22.4Very low119 Ų119124.1 Ų124.173%0.7368%0.683SS**  trans-115.2106.3-174.2-45.10000109.2
798N20.5Very low22.1Very low143 Ų143128.6 Ų128.677%0.76570%0.695SS**  trans-87126.6176.1-74.3-24000110.2
799A18.8Very low21.8Very low93 Ų93132.3 Ų132.377%0.76971%0.712SS**  trans-122.2103.9-166.900000113.2
800T21.3Very low21.7Very low132 Ų132137.5 Ų137.581%0.8173%0.731SS**  trans-157.7137.516821.50000107
801E21.5Very low21.3Very low189 Ų189139.8 Ų139.888%0.88375%0.754SS**  cis-132.1-179.413.5-66.5-163.797.400114.2
802K21.2Very low21.2Very low189 Ų189138.4 Ų138.482%0.82276%0.76SS**  trans-89.2148.2178.5-51.4145-177.2166.60110.3
803L19.1Very low20.9Very low143 Ų143141 Ų14175%0.74977%0.77SS**  -178.8145118-118.869.1000114.9
804K21.7Very low20.8Very low171 Ų171141.8 Ų141.874%0.74378%0.776SS**  trans41.593.3151.4-66.3173.1-172.8176.30117.5
805T20.1Very low20.7Very low128 Ų128146.8 Ų146.879%0.78578%0.78SS**  36.7110.383.7-36.90000114.7
806T21.5Very low20.8Very low126 Ų126148.5 Ų148.577%0.77378%0.779SS**  trans-146.9119.1148.6-62.20000109.3I808T806-I808 HydrophobicContact CG2-CG1 4.49Å
807T20.4Very low20.8Very low115 Ų115147.9 Ų147.971%0.70678%0.78SS**  trans-83.8124.7176.7-57.10000109.8K809T807-K809 HydrophobicContact CG2-CG 4.33Å
808I22.2Very low20.8Very low138 Ų138150.6 Ų150.671%0.70878%0.784SS**  trans-116.6106.8165.1-59.8-179.3000108.2T806T806-I808 HydrophobicContact CG2-CG1 4.49Å
809K20.8Very low20.9Very low178 Ų178154.2 Ų154.277%0.77479%0.793SS**  trans-90.9133.4159.9-67.1179.4178.71800107.4T807T807-K809 HydrophobicContact CG2-CG 4.33Å
810H24.4Very low20.9Very low176 Ų176154.2 Ų154.282%0.81579%0.793SS**  trans-131.4151.8155.3-85.2-59.6000110.5
811S20.1Very low20.8Very low108 Ų108153 Ų15376%0.75579%0.79SS**  trans-169.5171.8-160.152.70000108.8
812A20.2Very low20.9Very low83 Ų83150.3 Ų150.369%0.68679%0.787SS**  trans75.2127.7-165.400000111.8
813N20.2Very low20.8Very low157 Ų157146.9 Ų146.984%0.8479%0.786SS**  cis71.9121.947-57.2-9.9000112.3
814Q19.6Very low20.9Very low181 Ų181145 Ų14585%0.84679%0.785SS**  169.8123.4110.9-176.1157.5-7.600112.4
815Y18.8Very low20.7Very low213 Ų213145.8 Ų145.884%0.83579%0.792SS**  trans15.4154.8145.7-69.9-97.3000122.5
816E22.3Very low20.7Very low163 Ų163145.5 Ų145.576%0.76279%0.789SS**  cis-108.1-112.17.8-63.4-176.7-900113.8
817I22Very low20.7Very low160 Ų160146.6 Ų146.682%0.82179%0.79SS**  cis-150.31532.8-164.5166.8000111.6
818Q19.2Very low21Very low177 Ų177147.4 Ų147.483%0.82780%0.795SS**  trans-104.5142.5-169.4-62.8176.1-14.200115.1
819K22.8Very low21.1Very low218 Ų218148.7 Ų148.795%0.94880%0.803SS**  trans-156.9152.1137.6-112171.2-175.3177.20109.5
820A19.3Very low21.4Very low93 Ų93146.7 Ų146.777%0.76981%0.805SS**  trans-116.4170.1-164.300000114.1
821S19.7Very low21.4Very low107 Ų107147 Ų14775%0.74881%0.807SS**  trans115131.5153.3-61.20000118.3
822T22.8Very low21.5Very low133 Ų133151.9 Ų151.982%0.81682%0.815SS**  trans61.4112.915250.90000120.8
823S18.8Very low21.6Very low116 Ų116154 Ų15481%0.81182%0.82SS**  27.9129.9119.1175.20000117.9
824S21.2Very low21.6Very low103 Ų103157 Ų15772%0.7282%0.82SS**  cis-145.8163.641.150.80000114.7
825Q19Very low21.8Very low189 Ų189157.4 Ų157.488%0.88382%0.819SS**  trans-117.7125.8167.5-173.7173.57.400108.7
826V20.3Very low21.8Very low121 Ų121158.3 Ų158.373%0.73382%0.821SS**  trans-130.7139.7173.4175.60000107.2V828V826-V828 PolarHBondContact O-N 3.19Å
827D21.7Very low21.9Very low149 Ų149156.4 Ų156.480%0.79782%0.821SS**  trans-65.7127.1-172-61.7-75000113.3
828V26.3Very low21.8Very low132 Ų132156.6 Ų156.680%0.882%0.823SS**  trans-106.894.8166.1-179.70000108.2V826 T830V826-V828 PolarHBondContact O-N 3.19Å; V828-T830 PolarHBondContact O-N 3.32Å
829L23.2Very low22Very low166 Ų166157.7 Ų157.787%0.86983%0.825SS**PPolyproline II helixtrans-59.4121.9172.7-80.1158.2000110.1
830T28.5Very low22Very low136 Ų136152.5 Ų152.583%0.83482%0.816SS**PPolyproline II helixtrans-89.9137.6177.9-26.10000110.7V828V828-T830 PolarHBondContact O-N 3.32Å
831E23Very low22.1Very low183 Ų183154.2 Ų154.286%0.85582%0.817SS**PPolyproline II helixtrans-68.4153.7-170.2-66.4179.693.300115
832K22.5Very low22.3Very low210 Ų210156.2 Ų156.291%0.91382%0.819SS**  trans-103.7101170.5-68.5177.5-179.7173.70110.5
833T23.2Very low22.3Very low128 Ų128156.1 Ų156.179%0.78581%0.813SS**  trans-84.7125.4169.7-42.50000111.1
834Y18.7Very low22.4Very low218 Ų218157.4 Ų157.486%0.85582%0.816SS**  trans-87124.8-174.4-154-105.6000111.3
835K23.6Very low22.5Very low190 Ų190159.1 Ų159.183%0.82682%0.816SS**  trans-120.7118.3172.7-81.7-171.2174.6-179.60111.8
836R20.3Very low22.5Very low232 Ų232156 Ų15688%0.87581%0.813SS**  trans-63.8142.2168.2-70.5177.6175.2145.3-2.5109.8
837T24.3Very low22.7Very low123 Ų123158.5 Ų158.576%0.75582%0.817SS**  trans-122.3121.1167.1-580000107.9
838L20Very low22.7Very low165 Ų165158.9 Ų158.986%0.86482%0.824SS**  trans-69.7135170.4-96.565.1000109.4
839K23.7Very low22.5Very low200 Ų200155.6 Ų155.687%0.8782%0.818SS**  trans-129.2100.9162-83.7-166.4172.1-169.30109.1
840S21.8Very low22.4Very low108 Ų108156.1 Ų156.176%0.75582%0.816SS**  trans-85.6131.7159.4500000108.7
841V21.8Very low22.1Very low129 Ų129155.5 Ų155.578%0.78281%0.812SS**  trans-83.7128.7174.2178.90000108.6
842N23.5Very low22Very low150 Ų150151.9 Ų151.980%0.80280%0.798SS**  trans-156.284.9174.7-102.6-11.6000108.3
843D23.3Very low21.9Very low130 Ų130149.7 Ų149.770%0.69579%0.791SS**  trans-131103.5177.9-78.7-64.5000110.1
844V20.2Very low21.7Very low143 Ų143152.2 Ų152.287%0.86779%0.793SS**  trans-134.4103161.2179.50000106.7
845I23.3Very low21.8Very low139 Ų139146.7 Ų146.771%0.71378%0.782SS**  trans-125.8121.7-179.7-59.7177.3000107.8
846C19.9Very low21.5Very low124 Ų124143.6 Ų143.684%0.83878%0.784SS**  trans-131107.2173.2-79.30000108.4
847Q23.7Very low21.6Very low173 Ų173138.8 Ų138.881%0.80878%0.781SS**  trans-155.9110.5-180-168.5170.280.100110.8
848V22.7Very low21.3Very low157 Ų157141.7 Ų141.795%0.95279%0.786SS**  trans-137.3113.3165.8-1750000107.5
849G22.5Very low21.2Very low64 Ų64139.2 Ų139.266%0.6678%0.783SS**  trans-142.1127.7178.300000109.6
850Q20.5Very low21Very low177 Ų177135.9 Ų135.983%0.82778%0.779SS**  trans-87.2127.6-164-165.1172.88.200112.6
851V21.9Very low20.8Very low123 Ų123137.8 Ų137.875%0.74578%0.776SS**  trans-102.8103.8178.2-1800000109.5
852N20.2Very low20.8Very low107 Ų107140.5 Ų140.557%0.57277%0.773SS**  trans-87.3118.9173.1-77.512.7000110.6
853H21.8Very low20.6Very low163 Ų163140 Ų14076%0.75578%0.776SS**  trans-106.395.1178.7-133.3-67.4000109
854E17.8Very low20.6Very low181 Ų181139.5 Ų139.585%0.84678%0.777SS**  trans-92.9121.9170.3-75.1-175.6118.800109.8
855V21.2Very low20.6Very low103 Ų103138.4 Ų138.462%0.62477%0.771SS**  trans-130.183.4176.8-176.70000108T857V855-T857 HydrophobicContact CG1-CG2 4.37Å; V855-T857 PolarHBondContact O-N 3.08Å; V855-T857 VanDerWaalsContact O-N 3.16Å
856S17.8Very low20.4Very low124 Ų124143.2 Ų143.287%0.86778%0.78SS**  trans-75.899.3174.259.40000110.1
857T21.6Very low20.6Very low132 Ų132143.5 Ų143.581%0.8178%0.78SS**  trans-99.8136.8164.742.40000109.1V855V855-T857 HydrophobicContact CG1-CG2 4.37Å; V855-T857 PolarHBondContact O-N 3.08Å; V855-T857 VanDerWaalsContact O-N 3.16Å
858Q17.8Very low20.4Very low184 Ų184139.3 Ų139.386%0.8678%0.776SS**  trans-134.6147.4-171.2-161.7177.234.500110.5
859S19Very low20.4Very low113 Ų113140.9 Ų140.979%0.7977%0.772SS**  trans70.5154.3-176.276.50000116.9
860V18.5Very low20.4Very low130 Ų130145 Ų14579%0.78877%0.772SS**  178.4147.8-54.6140.40000109
861E17.9Very low20.6Very low148 Ų148142 Ų14269%0.69276%0.761SS**  trans84.7164.2161.4-143.1161.6-125.200120.8
862Y21.7Very low20.7Very low186 Ų186142.3 Ų142.373%0.72976%0.764SS**  trans82.980.6174.1-61.5-73.5000121.1
863V18.9Very low20.7Very low140 Ų140140.5 Ų140.585%0.84877%0.77SS**  trans-32.5137.8146.2176.60000114.3
864T23.2Very low20.9Very low118 Ų118140.5 Ų140.572%0.72477%0.774SS**  trans-150.1116.7159.4-530000113.7
865T21Very low21.2Very low120 Ų120138.2 Ų138.274%0.73677%0.768SS**  trans48.4130.8157.361.60000123.6
866R19.3Very low21.4Very low240 Ų240138.6 Ų138.691%0.90677%0.772SS**  trans-68153.7150.3-67.2175.1170.7176.5-4.1111.6
867P23.2Very low21.6Very low130 Ų130139.1 Ų139.184%0.84476%0.764SS**  -122.6175.2121.1-0.922000112.7
868A20.1Very low21.6Very low86 Ų86140.9 Ų140.971%0.71176%0.763SS**  trans-141137-179.400000113.9
869H23.2Very low21.8Very low190 Ų190138.2 Ų138.288%0.8876%0.759SS**  trans-163.6120.9166.9-105.5-74.1000104.9
870K22.5Very low21.8Very low151 Ų151142.5 Ų142.566%0.65776%0.758SS**  cis84.1122.96.8-125.3-164.2166.1-70.70117.4
871D23.2Very low21.9Very low112 Ų112141.4 Ų141.460%0.59974%0.744SS**  trans74.8137.5158-55.9-28.3000118.9
872T24.6Very low22.1Very low131 Ų131141.2 Ų141.280%0.80474%0.741SS**  cis-166.8152.5-1015.90000113
873G21.5Very low22.2Very low69 Ų69141.1 Ų141.171%0.71174%0.744SS**  trans97.5156.8145.300000119.1
874I24Very low22.4Very low163 Ų163140.3 Ų140.384%0.83674%0.74SS**  cis-161163.3-11.2-116.9152.5000110.3
875D25Very low22.3Very low133 Ų133138.9 Ų138.971%0.71174%0.74SS**  trans-50.4170177.3-60.7-80.1000116.6
876P26.4Very low22.5Very low110 Ų110139.5 Ų139.571%0.71474%0.739SS**  cis-1541613343.2-20.5000123
877I20.2Very low22.6Very low136 Ų136133.8 Ų133.870%0.69773%0.726SS**  21.4134.7127.9-31.9170.8000121.4
878H21.9Very low22.5Very low168 Ų168133.4 Ų133.478%0.77872%0.721SS**  149.4148.9118.7-111.6-73.9000118.3
879V21.7Very low22.6Very low128 Ų128135.4 Ų135.478%0.77672%0.724SS**  trans71.8144.9153.7165.10000119.7
880W19.4Very low22.6Very low203 Ų203131.6 Ų131.677%0.76971%0.714SS**  cis-175.7141.5-29.1-16342.1000110.8
881E21.8Very low22.5Very low107 Ų107132.7 Ų132.750%0.572%0.722SS.*  trans57.5162.4157.9-74.2-167.7149.100120.8
882K21.2Very low22.6Very low144 Ų144133.7 Ų133.763%0.62673%0.732SS**  cis-159.8150.2-1.6-127.5165.7-173.9139.40111.1
883K23Very low22.5Very low185 Ų185130.6 Ų130.680%0.80473%0.726SS**  trans65150.8159.9-61.8-175.8178.4-178.50117.9
884T23.7Very low22.7Very low122 Ų122134.7 Ų134.775%0.74873%0.73SS**  cis-163.2138.1-13.219.30000109.7
885A22Very low22.7Very low88 Ų88133 Ų13373%0.72773%0.727SS**  trans60.5148161.800000119.1
886N24Very low22.9Very low133 Ų133133.8 Ų133.871%0.71173%0.726SS**  cis-174.5144.8-25-87.6121000104.2
887D22.2Very low23.2Very low121 Ų121132.4 Ų132.465%0.64772%0.716SS**  cis-148.7163.8-9.1-84-34.2000108.8
888V21.4Very low23.6Very low121 Ų121131.1 Ų131.173%0.73372%0.719SS**  45.9132.280-131.50000113.1
889V22.2Very low24.1Very low128 Ų128130.3 Ų130.378%0.77671%0.713SS**  cis-147.4163.333.5-163.40000114
890T22.7Very low24.4Very low110 Ų110130.9 Ų130.968%0.67572%0.717SS**  trans-66-169.7166.444.60000113.2
891Q20.7Very low24.9Very low175 Ų175127.7 Ų127.782%0.81872%0.72SS**  cis-168.8-170.529.6-155.8146.3-38.200114.5
892T24.7Very low24.9Very low133 Ų133131.5 Ų131.582%0.81674%0.738SS**  trans-108.2166.8-171.745.90000115.9
893G23.1Very low25.3Very low65 Ų65128.9 Ų128.967%0.6774%0.742SS**  trans178.4123.1170.200000109.8
894I25.5Very low25.5Very low155 Ų155129.8 Ų129.880%0.79575%0.75SS**  cis69.6122.548.4-36.5158.4000111
895V23.9Very low25.9Very low128 Ų128131.3 Ų131.378%0.77675%0.752SS**  -175.5148.674.6172.40000111
896H29.3Very low26.1Very low150 Ų150133.7 Ų133.769%0.69475%0.751SS**  trans-142.2175.3178.4-43.8-136.7000111.6E1764H896-E1764 IonicContact CE1-OE2 3.22Å; H896-E1764 IonicContact CG-OE2 2.99Å; H896-E1764 IonicContact ND1-OE2 2.7Å; H896-E1764 PolarHBondContact ND1-OE2 2.99Å
897T32.5Very low26.2Very low81 Ų81134.7 Ų134.750%0.49775%0.752SS.*  cis-152.5162.9-256.40000110.6K899 E1764T897-K899 PolarHBondContact O-NZ 3.48Å; T897-K899 PolarHBondContact OG1-NZ 2.97Å; T897-E1764 WeakPolarHBondContact CG2-OE1 3.45Å
898S28.9Very low26.4Very low109 Ų109136.5 Ų136.576%0.76276%0.756SS**  trans-178.9162.7157.8-84.50000115.1
899K31.5Very low26.3Very low150 Ų150140 Ų14065%0.65277%0.765SS**  cis176.3-176.7-32.5-100.5162.9-15070.50110.1T897T897-K899 PolarHBondContact O-NZ 3.48Å; T897-K899 PolarHBondContact OG1-NZ 2.97Å
900V29.5Very low26.8Very low141 Ų141139.6 Ų139.686%0.85577%0.765SS**  trans95.4151.1168.4-171.60000117.8
901T28.1Very low27Very low135 Ų135140.6 Ų140.683%0.82877%0.77SS**  trans-153.8-168.7-172.5600000114.1
902Q22.8Very low27.3Very low188 Ų188142.8 Ų142.888%0.87977%0.773SS**  trans86.4146.5-179.1-163.1-176.10.900116.4
903A29.8Very low27.9Very low88 Ų88142 Ų14273%0.72777%0.768SS**  176.1136.8-5300000109.3
904E27.4Very low28.4Very low204 Ų204148 Ų14895%0.95378%0.775SS**  trans-157.1175.8174.9-133.3164.1-145.900114.6
905L31.1Very low28.3Very low154 Ų154144.9 Ų144.981%0.80677%0.773SS**  trans-153.9167.6-156.9-16372.4000114.5
906I26.6Very low28.1Very low138 Ų138145.4 Ų145.471%0.70877%0.77SS**  trans82.5125159-16.6176.3000121.6
907Q25.5Very low27.6Very low154 Ų154145 Ų14572%0.7277%0.768SS**  trans108.298.4130.1-122.9164.5-7.200125.6
908E27.5Very low27.1Very low159 Ų159147.6 Ų147.674%0.74378%0.784SS**  trans35.8123.4131.4-51.5175128.900124.6
909Q19.7Very low26.7Very low194 Ų194149.8 Ų149.891%0.90778%0.782SS**  -170.5151.7114.9-105.7177.864.700113.2
910P31.6Very low26.3Very low120 Ų120148.6 Ų148.678%0.77978%0.783SS**  trans-111.3160.4-16740.6-34.2000117.3
911V28.5Very low25.9Very low131 Ų131148.2 Ų148.279%0.79478%0.781SS**  trans-145135.7-179.3167.60000112.7
912Y26.2Very low25.6Very low222 Ų222146.5 Ų146.587%0.87177%0.772SS**  trans15.7135160.7-77.3-99.9000122.8
913V36.7Very low25.8Very low117 Ų117144.7 Ų144.771%0.70977%0.767SS**  trans-129.9140.3152.9176.10000109.5I916V913-I916 HydrophobicContact CG1-CB 4.04Å; V913-I916 HydrophobicContact CG1-CD1 3.51Å; V913-I916 HydrophobicContact CG1-CG1 4.36Å; V913-I916 HydrophobicContact CG1-CG2 4.23Å
914K34.5Very low25.8Very low189 Ų189147.2 Ų147.282%0.82277%0.774SS**  trans-149.9131.3179.7-178.2-168.3172.9-170.10110.2
915A23.9Very low25.8Very low91 Ų91141.8 Ų141.875%0.75276%0.758SS**SBendcis-128.8115.2-13.100000106.7
916I19.3Very low25.3Very low139 Ų139143 Ų14371%0.71375%0.753SS**  trans-136.619.8-150.2-87.8151.8000111.4V913V913-I916 HydrophobicContact CG1-CB 4.04Å; V913-I916 HydrophobicContact CG1-CD1 3.51Å; V913-I916 HydrophobicContact CG1-CG1 4.36Å; V913-I916 HydrophobicContact CG1-CG2 4.23Å
917E19.3Very low25.1Very low140 Ų140146.2 Ų146.265%0.65476%0.756SS**  trans-141.2129.1175.8-133.3-171.7-104.400111.7Q919E917-Q919 WeakPolarHBondContact OE2-CA 3.34Å
918T21.5Very low25.2Very low137 Ų137144.7 Ų144.784%0.8475%0.754SS**SBendtrans-108.684.9138.2490000107.3
919Q19.3Very low25Very low154 Ų154142.1 Ų142.172%0.7275%0.749SS**  trans69.4146.1170.5-60.6163.7-24.700113.6E917E917-Q919 WeakPolarHBondContact OE2-CA 3.34Å
920D24.5Very low25.5Very low126 Ų126138.6 Ų138.667%0.67474%0.74SS**  cis-151.2160.426.9-112.8-36.4000113P922D920-P922 VanDerWaalsContact O-CD 3.27Å; D920-P922 WeakPolarHBondContact O-CD 3.42Å
921V19.3Very low25.1Very low132 Ų132140 Ų14080%0.874%0.741SS**  trans-98111.6168.31740000111.6
922P23.5Very low24.9Very low100 Ų100137.7 Ų137.765%0.64974%0.736SS**  trans-137.4143.1153.737.2-24000114.5D920D920-P922 VanDerWaalsContact O-CD 3.27Å; D920-P922 WeakPolarHBondContact O-CD 3.42Å
923I25.4Very low25Very low150 Ų150137.5 Ų137.577%0.76974%0.735SS**  cis-151.1129.4-12.9-86.7151.3000106.7
924T29.6Very low24.4Very low141 Ų141139.5 Ų139.587%0.86574%0.737SS**  trans-155.5137.2148.550.40000109.3
925S28.1Very low23.9Very low90 Ų90138.8 Ų138.863%0.62974%0.736SS**  cis-156.9131-20.2-164.50000109.4
926Y21.6Very low23.9Very low180 Ų180138.6 Ų138.671%0.70674%0.735SS**  trans61.9115.1174.8-69.5-78.1000121.5
927R22.7Very low24.5Very low204 Ų204139.7 Ų139.777%0.7774%0.742SS**  trans67.3143.4131.6-67.2177.1174.3146.2-3.6119
928N26.1Very low24.8Very low123 Ų123138.7 Ų138.766%0.65874%0.74SS**  cis-171.5152.47.9-117.3-0.3000114.2
929T24.7Very low24.9Very low105 Ų105137.2 Ų137.264%0.64473%0.727SS**  trans72.6149141.6560000124.9
930V28.5Very low25.2Very low119 Ų119140 Ų14072%0.72174%0.736SS**  trans77.2122.6166.8-162.70000115.2
931D24.6Very low25.2Very low151 Ų151141 Ų14181%0.80774%0.736SS**  cis106.3146.617.3-69.5-59.8000115.9
932A23.2Very low25.3Very low82 Ų82141.7 Ų141.768%0.67873%0.733SS**  trans81.3155.8167.500000120.7
933Y28.5Very low25.4Very low218 Ų218144 Ų14486%0.85574%0.739SS**  trans63.7104.1-177.8-55.1-74.3000115.4
934Q24.9Very low25.3Very low159 Ų159147.4 Ų147.474%0.74374%0.742SS**  cis74.892.211.3-156.6173.110.100116.6
935Q22.7Very low25Very low173 Ų173150.3 Ų150.381%0.80874%0.742SS**  72.8106.2125.3-165.5174.6-11.800120.4
936A24.5Very low24.9Very low88 Ų88151.9 Ų151.973%0.72775%0.751SS**  trans-154.7154.8150.700000111.3
937D31.7Very low24.9Very low162 Ų162148.6 Ų148.687%0.86675%0.754SS**  trans57.870.4156.4-58.83.5000119.5
938L25Very low25Very low118 Ų118143.5 Ų143.562%0.61875%0.75SS**  trans-79.1151.6144.5-17467000109Y480Y480-L938 HydrophobicContact CD1-CD2 4.27Å
939I23.7Very low24.9Very low107 Ų107145.5 Ų145.555%0.54976%0.76SS.*  trans54.6104.4172.8-63.4145.9000116
940K26.4Very low24.8Very low213 Ų213146.3 Ų146.393%0.92677%0.765SS**  trans-129.9117.1140.7-150.3161.9-167163.70109.5
941H23.9Very low24.6Very low146 Ų146147.6 Ų147.668%0.67677%0.773SS**  trans-64137.2-169.1-105.6-92.8000113.1
942M22.5Very low24.4Very low146 Ų146145.5 Ų145.572%0.71977%0.769SS**  trans32.8144.6135.6-52.3-173.5-34.400121.3
943L25.2Very low24.3Very low148 Ų148150.7 Ų150.778%0.77578%0.779SS**  trans88.887.1160.9-58.4171.2000119
944R22.7Very low24.1Very low223 Ų223147 Ų14784%0.84278%0.779SS**  67.786.8108.7-165.1-166.9-147.8173.98.2118.5
945K23.4Very low24.1Very low201 Ų201143 Ų14387%0.87478%0.781SS**  -178.5151.8119.6-101.2171.8-178.7-173.90112.8
946P26.2Very low24Very low123 Ų123140.7 Ų140.780%0.79978%0.784SS**  trans-101.8155.5172.838-32.4000113.4
947S22.6Very low24Very low111 Ų111142.6 Ų142.678%0.77679%0.786SS**  trans-164.9148.4162.957.30000113.3
948S24.9Very low23.5Very low98 Ų98142.9 Ų142.969%0.68578%0.784SS**  trans60.487.9155.965.20000121.1
949D24Very low23.4Very low164 Ų164146.4 Ų146.488%0.87780%0.797SS**  -124.8129120.7-80.6-50.3000105
950V22.2Very low23.4Very low122 Ų122146.4 Ų146.474%0.73981%0.807SS**  cis86.269.333.1-168.40000113.8
951V24.2Very low23.3Very low147 Ų147141.8 Ų141.889%0.89180%0.801SS**  trans-137.5147.7156.1-1760000109.1
952C21.1Very low23.4Very low107 Ų107138.1 Ų138.172%0.72380%0.803SS**  trans-87.2128.5-162.9-57.30000115.8
953Q20.2Very low23.4Very low190 Ų190137.8 Ų137.889%0.88880%0.802SS**  22.7112.6119.3-168.7174.424.800117.9
954V24.9Very low23.1Very low141 Ų141140.1 Ų140.186%0.85581%0.809SS**  trans-131.6128.5162.4176.80000109.8
955G24.6Very low23.2Very low76 Ų76136.6 Ų136.678%0.78481%0.806SS**  trans51.7104.9153.500000119.9
956S21.2Very low23.3Very low124 Ų124133.6 Ų133.687%0.86780%0.799SS**  trans-114.5112.6159-177.80000111.2
957V22.6Very low23.3Very low128 Ų128135.9 Ų135.978%0.77680%0.799SS**  trans-157.2139158.9-140.20000104.1
958M22.5Very low23.7Very low168 Ų168136.2 Ų136.283%0.82880%0.798SS**  cis-151.7145.722.8-166.8175.1-62.300110.5
959E22.4Very low23.7Very low192 Ų192140.3 Ų140.390%0.89781%0.806SS**  trans-98.7136.7172.1-65.5-176.6130.200111.9
960S24.1Very low23.6Very low107 Ų107141.6 Ų141.675%0.74880%0.804SS**  trans179.6145.5153.555.70000110.5
961S24.4Very low23.5Very low116 Ų116142 Ų14281%0.81181%0.807SS**  cis-175.4132.6-24.448.80000107.3
962G25Very low23.3Very low68 Ų68139.7 Ų139.770%0.70180%0.797SS**  trans154.866.1-177.100000112.2
963I22.2Very low23.2Very low139 Ų139142.2 Ų142.271%0.71380%0.801SS**  64.4102.687.1-58.9172.6000111.5I965I963-I965 HydrophobicContact CG2-CD1 3.65Å; I963-I965 HydrophobicContact CG2-CG1 3.62Å
964Q20.2Very low23.2Very low198 Ų198140.8 Ų140.893%0.92580%0.798SS**  trans-84.2139.4149.5-71.6179.9-43.200108.1
965I25.3Very low23.1Very low148 Ų148142 Ų14276%0.75980%0.799SS**  trans-126158168.5-81.4166.3000107.9I963I963-I965 HydrophobicContact CG2-CD1 3.65Å; I963-I965 HydrophobicContact CG2-CG1 3.62Å
966D24.7Very low22.9Very low138 Ų138141.9 Ų141.974%0.73879%0.791SS**  trans-65.5160.8-159-56.9-80.7000118.8
967E26.4Very low23.1Very low172 Ų172140.2 Ų140.280%0.80479%0.794SS**  trans65.6145.4145.1-79.3-171.5136.600123.2
968P30.2Very low23Very low117 Ų117138.9 Ų138.976%0.7679%0.786SS**  trans-100.3132.5174.237-29.7000113.1
969H25.2Very low22.9Very low184 Ų184139.6 Ų139.685%0.85279%0.787SS**  trans-119.8112.9161.9-93.9-72.9000112.5
970K20.9Very low22.8Very low191 Ų191135 Ų13583%0.8378%0.776SS**  trans-71.3145.7148.9-64.5176.3178.8176.20108.1
971T21.9Very low22.5Very low131 Ų131133.7 Ų133.780%0.80477%0.772SS**  trans173.9117.9131.1-78.10000112.5
972S18.3Very low22.4Very low98 Ų98137.4 Ų137.469%0.68577%0.773SS**  trans43156.2136.4-146.40000124
973M19Very low22.2Very low161 Ų161140.5 Ų140.579%0.79378%0.779SS**  trans67116.2171.5-59.6-179.5-66.200114.9
974L20.2Very low22.1Very low160 Ų160138.5 Ų138.584%0.83878%0.775SS**  cis65.887.225.4-149.1-177.9000112.9
975L22.8Very low21.9Very low165 Ų165135.5 Ų135.586%0.86477%0.77SS**  trans-146116.9159.5-149.975.2000113.1G977L975-G977 PolarHBondContact O-N 3.43Å
976A20.9Very low21.8Very low74 Ų74137 Ų13761%0.61277%0.774SS**  trans30.880.2147.900000120.1T978A976-T978 HydrophobicContact CB-CG2 4.18Å; A976-T978 PolarHBondContact O-N 3.44Å
977G25Very low21.7Very low90 Ų90135.2 Ų135.293%0.92877%0.768SS**  trans-88.367.5156.200000111.4L975L975-G977 PolarHBondContact O-N 3.43Å
978T21.5Very low21.5Very low99 Ų99135.6 Ų135.661%0.60777%0.767SS**  trans-65.5146.6-168.449.30000115.4A976A976-T978 HydrophobicContact CB-CG2 4.18Å; A976-T978 PolarHBondContact O-N 3.44Å
979Q20.5Very low21.4Very low183 Ų183137.1 Ų137.186%0.85576%0.764SS**  trans67.2162.9149.6-76.1-175.661.400116.3
980S19.4Very low21.2Very low97 Ų97134.7 Ų134.768%0.67876%0.756SS**  cis-165.3178.8-23.2-178.20000106.4
981A18.6Very low21.6Very low79 Ų79133.7 Ų133.765%0.65375%0.754SS**  trans-58.7170.6176.500000114.4
982K22Very low21.7Very low193 Ų193132.6 Ų132.684%0.83975%0.748SS**  trans91.8140.4-172.6-50.6146.7-166.6170.90111.6
983T22Very low22.3Very low133 Ų133134.5 Ų134.582%0.81675%0.75SS**  cis-130148.715.4-56.20000111.4
984P18.2Very low22.7Very low98 Ų98134.2 Ų134.264%0.63675%0.748SS**  trans-85.7160.1-171.6-928.1000115.7
985T17.6Very low23.3Very low135 Ų135129.6 Ų129.683%0.82874%0.739SS**  35.286.1128.3-43.80000118
986H22.6Very low23.2Very low180 Ų180129.9 Ų129.983%0.83373%0.734SS**  trans-163.1141.1163.9-101.8-74.3000106.3
987T23.3Very low23.5Very low99 Ų99131.3 Ų131.361%0.60772%0.724SS**  cis-151.7173.511.6-75.70000109.8
988K21.4Very low23.4Very low180 Ų180134.3 Ų134.378%0.78372%0.715SS**  trans-30.1158.1150.6-37.7153.5-169.7172.90112.6
989E27.3Very low23.4Very low150 Ų150137.5 Ų137.570%0.70172%0.723SS**  -173.7146.369.3-75.5-161.5130.400109
990I22.1Very low23.4Very low133 Ų133132.8 Ų132.868%0.68271%0.709SS**  69.3158.2100.3-49.1170.6000115.2
991Q29.6Very low23.3Very low169 Ų169133.6 Ų133.679%0.7970%0.7SS**  trans74111.5174.6-87.8154.7-14.400116.3
992T23.5Very low23.7Very low109 Ų109138.6 Ų138.667%0.66971%0.707SS**  cis99.6158.130.770.80000115.2
993D30.5Very low24.2Very low138 Ų138135.1 Ų135.174%0.73870%0.702SS**  trans85.9146.1164.4-50.5-57.4000119.5
994M27Very low24.7Very low154 Ų154134.4 Ų134.476%0.75970%0.702SS**  trans-160.3169.1-148.5-73.8-177.6-71.300110.9F996M994-F996 HydrophobicContact SD-CE2 4.33Å
995G32.5Very low25Very low63 Ų63139 Ų13965%0.64971%0.712SS**  cis144-176.50.300000112.2
996F21.6Very low25.5Very low171 Ų171136.8 Ų136.875%0.7571%0.708SS**  trans67.9164.2-179.8-66.5-85.2000115M994M994-F996 HydrophobicContact SD-CE2 4.33Å
997R27.6Very low25.7Very low104 Ų104134.5 Ų134.539%0.39271%0.706SS.*  cis-161.1165.529.3-162.7172.8-176.8-100.28.9112.6Q2426R997-Q2426 PolarHBondContact NH1-OXT 2.92Å; R997-Q2426 PolarHBondContact NH2-O 2.81Å; R997-Q2426 PolarHBondContact NH2-OXT 3.37Å
998M23.6Very low26.3Very low154 Ų154136.2 Ų136.276%0.75971%0.712SS**SBendtrans72.784.8-174.2-59.8-68.9-76.100111.4
999E20.5Very low26.6Very low165 Ų165134.1 Ų134.177%0.77171%0.709SS**SBendcis-52.8152.832.9-77.6-165.2134.500120.3K1001E999-K1001 PolarHBondContact O-N 2.94Å
1000P20.7Very low26.6Very low84 Ų84132.7 Ų132.755%0.54571%0.711SS.*  trans-76.2106.4165.333-33000112.5F1002P1000-F1002 PolarHBondContact O-N 2.65Å
1001K18.1Very low27Very low114 Ų114133.4 Ų133.450%0.49671%0.714SS.*SBend67.315.3124.7-59.2168.4179.6175.50119.7E999 Q2426E999-K1001 PolarHBondContact O-N 2.94Å; K1001-Q2426 WeakPolarHBondContact CE-O 3.29Å; K1001-Q2426 PolarHBondContact NZ-O 2.99Å
1002F27Very low26.7Very low184 Ų184130.6 Ų130.681%0.80771%0.712SS**  trans-130.8102.9163.6-72.1-79.8000109.5P1000P1000-F1002 PolarHBondContact O-N 2.65Å
1003V31.2Very low26.6Very low120 Ų120133.5 Ų133.573%0.72772%0.718SS**  59.198.562.2-171.20000109
1004S33.3Very low26.1Very low118 Ų118134.7 Ų134.783%0.82573%0.73SS**  -142.1166.958.656.10000115.7
1005K24.5Very low25.6Very low194 Ų194129.9 Ų129.984%0.84372%0.72SS**  trans-141.3108.9176176.9-176.3179.2-178.60109.4
1006A27.6Very low24.8Very low89 Ų89135.3 Ų135.374%0.73673%0.728SS**  trans-163.9128.3178.900000115
1007V27.3Very low24.6Very low133 Ų133132.7 Ų132.781%0.80673%0.726SS**  trans75143.6142.9179.50000121.1
1008N36.4Very low24.3Very low134 Ų134133 Ų13372%0.71774%0.735SS**  trans72.1164174.6-83.937.2000118.9
1009D26.1Very low24.2Very low136 Ų136134.2 Ų134.273%0.72774%0.739SS**  cis-147.8-174.86.8-136.8-49.7000114.8
1010V27Very low24.4Very low121 Ų121131.9 Ų131.973%0.73373%0.728SS**  trans-140.2132.3-159.7174.20000119.5
1011I32.1Very low24.5Very low148 Ų148133.8 Ų133.876%0.75974%0.738SS**  trans29.2127.3141.8-55.1173.3000123.8
1012C23.5Very low24.6Very low110 Ų110131 Ų13174%0.74373%0.732SS**  trans59.2177.7152.4-73.60000121.4
1013Q21.2Very low24.4Very low169 Ų169128.4 Ų128.479%0.7973%0.732SS**  trans57.7101155.8-79.6166.1-4200118.2G1015Q1013-G1015 PolarHBondContact O-N 2.89Å
1014V19.7Very low24Very low164 Ų164129.9 Ų129.999%0.99473%0.731SS**SBendtrans-55.2125.9139.6-168.70000107.3
1015G16.8Very low23.6Very low53 Ų53129.3 Ų129.355%0.54673%0.727SS.*  trans109.386.2-166.100000110.7Q1013Q1013-G1015 PolarHBondContact O-N 2.89Å
1016Q15.9Very low23.8Very low176 Ų176124.3 Ų124.382%0.82271%0.712SS**  cis-147.3139.317.3-90.8-167.1-74.700114
1017V16.4Very low23.7Very low116 Ų116128.6 Ų128.670%0.70372%0.717SS**  trans68.7155130.7178.20000117H1019V1017-H1019 PolarHBondContact O-N 2.81Å; V1017-H1019 VanDerWaalsContact O-N 3.11Å
1018N22.2Very low23.4Very low110 Ų110131.6 Ų131.659%0.58872%0.715SS**  trans-54.5115.4163.4-54.9-21.9000109.7E1020N1018-E1020 HydrophobicContact CB-CB 3.83Å; N1018-E1020 HydrophobicContact CB-CG 3.71Å; N1018-E1020 WeakPolarHBondContact CB-OE1 3.47Å; N1018-E1020 PolarHBondContact ND2-OE1 2.81Å; N1018-E1020 WeakPolarHBondContact O-CB 3.46Å
1019H20.4Very low22.7Very low181 Ų181129.9 Ų129.984%0.83871%0.709SS**  -87.6113.3119.4-87.5-64.5000105.1V1017V1017-H1019 PolarHBondContact O-N 2.81Å; V1017-H1019 VanDerWaalsContact O-N 3.11Å
1020E24.5Very low22.4Very low116 Ų116129.3 Ų129.354%0.54271%0.711SS.*  cis49.656.925.7-84.4177.3-120.700111.8N1018N1018-E1020 HydrophobicContact CB-CB 3.83Å; N1018-E1020 HydrophobicContact CB-CG 3.71Å; N1018-E1020 WeakPolarHBondContact CB-OE1 3.47Å; N1018-E1020 PolarHBondContact ND2-OE1 2.81Å; N1018-E1020 WeakPolarHBondContact O-CB 3.46Å
1021V22.9Very low22.3Very low124 Ų124129.8 Ų129.875%0.75272%0.715SS**  -95.999.2102.8-176.90000104.3T1023V1021-T1023 VanDerWaalsContact C-N 3.34Å; V1021-T1023 HydrophobicContact CG1-CG2 4.46Å
1022S20.9Very low22Very low54 Ų54133.5 Ų133.538%0.37872%0.719SS.*  cis40.363.346.9-163.20000110.4Q1024 S1025S1022-Q1024 PolarHBondContact O-N 2.75Å; S1022-S1025 PolarHBondContact OG-N 2.9Å; S1022-S1025 PolarHBondContact OG-OG 3.42Å
1023T22.6Very low22.4Very low131 Ų131133.8 Ų133.880%0.80472%0.72SS**SBendtrans-63.971.6146.148.10000108.1V1021V1021-T1023 VanDerWaalsContact C-N 3.34Å; V1021-T1023 HydrophobicContact CG1-CG2 4.46Å
1024Q23Very low22.8Very low151 Ų151129.9 Ų129.971%0.70672%0.716SS**  trans57.383.2163.6-61.1174.3-6500115S1022 V1026S1022-Q1024 PolarHBondContact O-N 2.75Å; Q1024-V1026 HydrophobicContact CB-CB 4.01Å; Q1024-V1026 HydrophobicContact CB-CG2 3.74Å; Q1024-V1026 HydrophobicContact CG-CB 4.46Å; Q1024-V1026 HydrophobicContact CG-CG2 3.74Å; Q1024-V1026 PolarHBondContact O-N 2.81Å
1025S25.8Very low23.2Very low105 Ų105129.8 Ų129.873%0.73470%0.704SS**  -62.166.1125470000110.2S1022 E1027S1022-S1025 PolarHBondContact OG-N 2.9Å; S1022-S1025 PolarHBondContact OG-OG 3.42Å; S1025-E1027 PolarHBondContact O-N 2.82Å
1026V27.1Very low24Very low89 Ų89135.3 Ų135.354%0.53971%0.713SS.*  trans-97.382.3160.5175.80000106.5Q1024 Y1028Q1024-V1026 HydrophobicContact CB-CB 4.01Å; Q1024-V1026 HydrophobicContact CB-CG2 3.74Å; Q1024-V1026 HydrophobicContact CG-CB 4.46Å; Q1024-V1026 HydrophobicContact CG-CG2 3.74Å; Q1024-V1026 PolarHBondContact O-N 2.81Å; V1026-Y1028 HydrophobicContact CG1-CD2 4.31Å; V1026-Y1028 PolarHBondContact O-N 3.11Å
1027E25.9Very low24.9Very low180 Ų180133 Ų13384%0.84171%0.707SS**  trans-60.481.5153.6-177.5-174.4-155.800108.3S1025S1025-E1027 PolarHBondContact O-N 2.82Å
1028Y22.2Very low25.3Very low195 Ų195133.5 Ų133.577%0.76571%0.71SS**  trans-12397.3155.4-100.6-97.7000109.9V1026V1026-Y1028 HydrophobicContact CG1-CD2 4.31Å; V1026-Y1028 PolarHBondContact O-N 3.11Å
1029V20.2Very low25.5Very low98 Ų98131.4 Ų131.459%0.59472%0.715SS**  67.6112.1109167.10000116.5T1031V1029-T1031 PolarHBondContact O-N 2.93Å
1030T20.6Very low25.7Very low124 Ų124130 Ų13076%0.76171%0.711SS**  trans56.963.5136.9-47.60000116.3
1031T24.4Very low25.7Very low132 Ų132130.4 Ų130.481%0.8172%0.718SS**  trans-151.4124.8133.13.40000106.8V1029V1029-T1031 PolarHBondContact O-N 2.93Å
1032R26Very low25.8Very low226 Ų226130.6 Ų130.685%0.85372%0.721SS**  49.3141.352.7-78.5-171.2172.2-1660.3113
1033P32.7Very low25.8Very low116 Ų116133.4 Ų133.475%0.75373%0.731SS**  cis-118.9-155-20.839.3-22.5000108.8
1034A29.6Very low25.8Very low86 Ų86134.1 Ų134.171%0.71173%0.725SS**  trans67.3150.6149.600000117.8
1035H27.8Very low25.8Very low163 Ų163132.6 Ų132.676%0.75573%0.726SS**  cis-174.3146.5-29.8-149.4-65.2000102.6
1036K32.7Very low25.6Very low169 Ų169134.3 Ų134.374%0.73572%0.716SS**  trans70.7152.3171.2-52-169.6170.1-163.40115.5
1037D35.4Very low25.5Very low128 Ų128134.2 Ų134.268%0.68471%0.71SS**  cis-151.1178.2-25-103.3-27.3000109.1
1038T25.5Very low25.6Very low126 Ų126133.4 Ų133.477%0.77370%0.703SS**  trans-45.4135.8169.547.70000114.8
1039G25.7Very low25.8Very low66 Ų66128.9 Ų128.968%0.6869%0.688SS**  trans172.1104.7162.600000109
1040I24.4Very low26.3Very low150 Ų150126.2 Ų126.277%0.76967%0.672SS**  cis53.669.713.2-44.5-178.2000112.2
1041D24Very low26.4Very low126 Ų126122.6 Ų122.667%0.67465%0.654SS**  trans-151.8105.8149.1-119.6-30.1000110.4I1043D1041-I1043 HydrophobicContact CB-CD1 3.77Å; D1041-I1043 HydrophobicContact CB-CG1 3.86Å; D1041-I1043 PolarHBondContact O-N 3.47Å
1042P24.6Very low26.5Very low127 Ų127121.5 Ų121.583%0.82564%0.644SS**  trans-78.670170.833.5-32.8000109.4
1043I22Very low26.3Very low113 Ų113110.8 Ų110.858%0.57960%0.603SS**  trans-81.6122.1-175.8-80.8176.3000111.1D1041D1041-I1043 HydrophobicContact CB-CD1 3.77Å; D1041-I1043 HydrophobicContact CB-CG1 3.86Å; D1041-I1043 PolarHBondContact O-N 3.47Å
1044H21.5Very low25.9Very low147 Ų147108.7 Ų108.768%0.68159%0.588SS**  trans20.4142132.8-66.9-105.1000118.3
1045V23.2Very low25.6Very low119 Ų119106.5 Ų106.572%0.72157%0.566SS**  cis-140.4135.525.4-151.50000104.7
1046W22Very low25.3Very low140 Ų140103.6 Ų103.653%0.5356%0.56SS.*  59.5129.358.6-14331000108.2
1047E26.1Very low24.7Very low88 Ų88101 Ų10141%0.41155%0.55SS.*  cis-134.7146.57.6-82.8149.8134.100110
1048K27.5Very low24.2Very low163 Ų163100.6 Ų100.671%0.70955%0.552SS**  cis81.2133.416.7-153.3-173.3-177.8-178.20114.9
1049K25.6Very low24Very low99 Ų9997 Ų9743%0.4354%0.54SS..  trans67.1143.5172.2-69.2145.1105.7-770114D2071 D2147K1049-D2071 WeakPolarHBondContact CE-OD2 3.45Å; K1049-D2071 IonicContact NZ-OD1 3.58Å; K1049-D2071 PolarHBondContact NZ-OD1 3.09Å; K1049-D2071 IonicContact NZ-OD2 2.68Å; K1049-D2071 PolarHBondContact NZ-OD2 2.87Å; K1049-D2147 IonicContact NZ-OD2 3.5Å; K1049-D2147 PolarHBondContact NZ-OD2 3.49Å
1050T31.2Very low23.7Very low43 Ų43100.7 Ų100.726%0.26454%0.543SS..  cis-156.4-171.5-6.815.40000107.4D2071 I2073T1050-D2071 WeakPolarHBondContact CG2-OD2 3.44Å; T1050-I2073 WeakPolarHBondContact OG1-CD1 3.45Å; T1050-I2073 WeakPolarHBondContact OG1-CG1 3.43Å
1051A22.7Very low23.5Very low48 Ų4897.5 Ų97.540%0.39753%0.53SS..  -177130.7-60.500000105.7
1052N26.6Very low23.3Very low109 Ų10998.7 Ų98.758%0.58353%0.532SS*.  trans55.7-155.4-171.5-46.9-20000109.6Q1999N1052-Q1999 VanDerWaalsContact C-NE2 3.27Å; N1052-Q1999 PolarHBondContact O-NE2 3.42Å
1053D22.6Very low23.2Very low0 Ų098.2 Ų98.20%053%0.526CS..  cis-69.6146.9-4.7-170.6-91.3000113.5V1055 T1921 M1922 Q1923 I1997 T1998 Q1999D1053-V1055 PolarHBondContact OD1-N 3.25Å; D1053-T1921 WeakPolarHBondContact OD2-CB 3.27Å; D1053-T1921 WeakPolarHBondContact OD2-CG2 3.33Å; D1053-M1922 VanDerWaalsContact CG-C 3.42Å; D1053-M1922 PolarHBondContact OD2-N 3.33Å; D1053-Q1923 HydrophobicContact CB-CG 4.27Å; D1053-Q1923 PolarHBondContact O-NE2 3.44Å; D1053-Q1923 VanDerWaalsContact OD1-CB 3.31Å; D1053-Q1923 WeakPolarHBondContact OD1-CB 3.22Å; D1053-Q1923 WeakPolarHBondContact OD1-CG 3.41Å; D1053-Q1923 PolarHBondContact OD1-N 3.35Å; D1053-I1997 HydrophobicContact CB-CB 3.89Å; D1053-I1997 HydrophobicContact CB-CG2 4.01Å; D1053-T1998 VanDerWaalsContact CB-CA 3.47Å; D1053-Q1999 HydrophobicContact CB-CG 4.34Å
1054V22.3Very low23.2Very low72 Ų7296.9 Ų96.944%0.43653%0.527SS..  trans-149.7136.4146.7-176.70000106.7T1056V1054-T1056 HydrophobicContact CG1-CG2 3.81Å
1055V23.8Very low23.1Very low40 Ų4098.5 Ų98.524%0.24253%0.532CS..  trans-134.8119133.9-155.70000109.1D1053 T1737 Q1739 Y1815 T1921D1053-V1055 PolarHBondContact OD1-N 3.25Å; V1055-T1737 HydrophobicContact CG2-CG2 4.21Å; V1055-Q1739 WeakPolarHBondContact O-CB 3.42Å; V1055-Q1739 WeakPolarHBondContact O-CG 3.33Å; V1055-Q1739 PolarHBondContact O-NE2 2.74Å; V1055-Q1739 VanDerWaalsContact O-NE2 3.14Å; V1055-Q1739 PolarHBondContact O-OE1 2.65Å; V1055-Y1815 VanDerWaalsContact C-OH 3.29Å; V1055-Y1815 WeakPolarHBondContact CB-OH 3.23Å; V1055-Y1815 WeakPolarHBondContact CG1-OH 3.11Å; V1055-Y1815 WeakPolarHBondContact O-CE1 3.11Å; V1055-Y1815 PolarHBondContact O-OH 2.92Å; V1055-T1921 HydrophobicContact CG2-CG2 4.38Å; V1055-T1921 WeakPolarHBondContact CG2-OG1 3.41Å
1056T22.2Very low23Very low102 Ų102100.8 Ų100.863%0.62654%0.539SS*.  trans-85.8138.2177.746.40000111.7V1054 Y1815V1054-T1056 HydrophobicContact CG1-CG2 3.81Å; T1056-Y1815 PolarHBondContact O-OH 3.44Å
1057Q21Very low23Very low116 Ų11699.5 Ų99.554%0.54255%0.546SS..  trans-113.2129.6153.8-172.6174.287.400110.5G1059 Y1815Q1057-G1059 PolarHBondContact O-N 3.27Å; Q1057-Y1815 HydrophobicContact CB-CD1 3.19Å; Q1057-Y1815 HydrophobicContact CB-CD2 3.97Å; Q1057-Y1815 HydrophobicContact CB-CE1 3.23Å; Q1057-Y1815 HydrophobicContact CB-CE2 4.04Å; Q1057-Y1815 HydrophobicContact CB-CG 3.54Å; Q1057-Y1815 HydrophobicContact CG-CD1 4.33Å; Q1057-Y1815 HydrophobicContact CG-CG 4.26Å
1058T24.7Very low22.7Very low118 Ų118103.5 Ų103.572%0.72457%0.565SS**PPolyproline II helixtrans-51.6124.816446.40000111.6I1060T1058-I1060 PolarHBondContact O-N 3.23Å
1059G21.1Very low22.5Very low51 Ų5199.8 Ų99.853%0.52657%0.565SS.*PPolyproline II helixtrans-67.7129.6163.900000110.6Q1057Q1057-G1059 PolarHBondContact O-N 3.27Å
1060I19.1Very low22.4Very low143 Ų143103.4 Ų103.473%0.73358%0.583SS**PPolyproline II helixtrans-87.2124.5151.8-74.6-178.4000107.9T1058 H1062T1058-I1060 PolarHBondContact O-N 3.23Å; I1060-H1062 PolarHBondContact O-N 3.47Å
1061V19Very low22Very low83 Ų83109 Ų10950%0.50361%0.611SS.*PPolyproline II helixtrans-72.7117.1163.2-172.80000107.3T1063V1061-T1063 HydrophobicContact CG1-CG2 4.01Å
1062H21Very low22.2Very low151 Ų151112.9 Ų112.970%0.69962%0.623SS**  trans-116.890.9154-130.3-80000111.8I1060 S1064I1060-H1062 PolarHBondContact O-N 3.47Å; H1062-S1064 VanDerWaalsContact C-N 3.28Å; H1062-S1064 PolarHBondContact CE1-OG 3.09Å; H1062-S1064 PolarHBondContact ND1-OG 2.7Å; H1062-S1064 PolarHBondContact O-N 2.67Å
1063T21.1Very low22.1Very low117 Ų117116.1 Ų116.172%0.71864%0.635SS**  trans-7980.8158.347.90000109.2V1061V1061-T1063 HydrophobicContact CG1-CG2 4.01Å
1064S22.8Very low22.3Very low85 Ų85123.8 Ų123.859%0.59467%0.671SS**  trans-91.2109.3149.5-61.20000105.3H1062H1062-S1064 VanDerWaalsContact C-N 3.28Å; H1062-S1064 PolarHBondContact CE1-OG 3.09Å; H1062-S1064 PolarHBondContact ND1-OG 2.7Å; H1062-S1064 PolarHBondContact O-N 2.67Å
1065K20.2Very low22.2Very low182 Ų182128 Ų12879%0.79169%0.686SS**  36.999.869.4-80.9-165.8174.1-174.50111.5T1067K1065-T1067 PolarHBondContact O-N 3.18Å
1066I21.1Very low22.3Very low166 Ų166131.6 Ų131.685%0.85171%0.71SS**  trans-62.698146.1-61.5169.8000105.9Q1068I1066-Q1068 HydrophobicContact CG2-CB 4.45Å
1067T20.5Very low22.4Very low113 Ų113132.3 Ų132.369%0.69371%0.714SS**  trans-98113138.6-55.50000104.6K1065 A1069K1065-T1067 PolarHBondContact O-N 3.18Å; T1067-A1069 PolarHBondContact O-N 2.71Å
1068Q20.2Very low22.6Very low172 Ų172137.9 Ų137.980%0.80473%0.732SS**  trans-70.3108.9169.2177.6179.7-11.800107.3I1066I1066-Q1068 HydrophobicContact CG2-CB 4.45Å
1069A23.4Very low22.5Very low85 Ų85138 Ų13870%0.70273%0.732SS**  trans-139.8126.6171.500000107.2T1067T1067-A1069 PolarHBondContact O-N 2.71Å
1070E22.7Very low22.8Very low175 Ų175144.9 Ų144.982%0.81875%0.747SS**  trans-76.2135.3-166.5-62.3139.9143.500111.6
1071L24.1Very low23.1Very low162 Ų162142.3 Ų142.385%0.84875%0.748SS**  trans-143.999.9145.6-15273000111.5
1072I26.2Very low23.4Very low128 Ų128145.7 Ų145.766%0.65676%0.761SS**  trans20.9115.5142.7-49.5179.3000116.4E1074I1072-E1074 VanDerWaalsContact C-N 3.32Å; I1072-E1074 HydrophobicContact CG2-CG 3.95Å; I1072-E1074 PolarHBondContact O-N 2.9Å
1073Q25.6Very low23.6Very low177 Ų177147.6 Ų147.683%0.82777%0.771SS**  trans-76.578.2164.8-174.4-173.611.500110.5
1074E25.7Very low23.7Very low162 Ų162148.2 Ų148.276%0.75777%0.774SS**  trans-80.6135.3161-89.2178-157.600109.9I1072 P1076I1072-E1074 VanDerWaalsContact C-N 3.32Å; I1072-E1074 HydrophobicContact CG2-CG 3.95Å; I1072-E1074 PolarHBondContact O-N 2.9Å; E1074-P1076 WeakPolarHBondContact O-CD 3.44Å
1075Q21.3Very low23.7Very low160 Ų160153 Ų15375%0.74879%0.787SS**  trans-94.2113.2178.5-63.1-179.79.500109.4V1077Q1075-V1077 PolarHBondContact O-N 3.05Å; Q1075-V1077 VanDerWaalsContact O-N 3.09Å
1076P26.1Very low24Very low115 Ų115151.9 Ų151.975%0.74779%0.79SS**  trans-71.1107.8169.7-13.229.9000108.4E1074 Y1078E1074-P1076 WeakPolarHBondContact O-CD 3.44Å; P1076-Y1078 PolarHBondContact O-N 2.95Å
1077V23.4Very low24.5Very low118 Ų118149.8 Ų149.872%0.71578%0.784SS**  trans-60.3121.2171.1177.10000108.1Q1075 V1079Q1075-V1077 PolarHBondContact O-N 3.05Å; Q1075-V1077 VanDerWaalsContact O-N 3.09Å; V1077-V1079 HydrophobicContact CB-CG2 4.39Å; V1077-V1079 HydrophobicContact CG1-CG2 3.97Å; V1077-V1079 PolarHBondContact O-N 2.76Å
1078Y25.2Very low24.8Very low232 Ų232150.2 Ų150.291%0.9179%0.79SS**  trans-70.481.3169.9-94.2-85.8000109.8P1076 K1080P1076-Y1078 PolarHBondContact O-N 2.95Å; Y1078-K1080 PolarHBondContact O-N 3.33Å
1079V23.3Very low25.1Very low121 Ų121148.6 Ų148.673%0.73379%0.785SS**  trans-67103.6171.6179.80000108V1077 A1081V1077-V1079 HydrophobicContact CB-CG2 4.39Å; V1077-V1079 HydrophobicContact CG1-CG2 3.97Å; V1077-V1079 PolarHBondContact O-N 2.76Å; V1079-A1081 PolarHBondContact O-N 2.68Å
1080K26.3Very low25.2Very low195 Ų195151 Ų15185%0.84879%0.791SS**  trans-78.386.7179.9-170.2178.2-178-179.50110Y1078Y1078-K1080 PolarHBondContact O-N 3.33Å
1081A25.4Very low25.2Very low89 Ų89146.9 Ų146.974%0.73678%0.782SS**  trans-60.7153.3171.900000111.5V1079V1079-A1081 PolarHBondContact O-N 2.68Å
1082I25.9Very low25.2Very low155 Ų155147.9 Ų147.980%0.79578%0.775SS**  trans-120.8125.1179.6-60170.7000107
1083E24.9Very low25.1Very low191 Ų191150.2 Ų150.289%0.89378%0.776SS**  trans-125.5155.7165.7-74.5-169.4148.200110.6
1084T24.4Very low25.3Very low129 Ų129147.6 Ų147.679%0.79177%0.767SS**  trans-97.4153.6-158.241.70000113.8
1085Q22.3Very low25.2Very low186 Ų186145.7 Ų145.787%0.86977%0.767SS**  trans-81.4129.1169.3-70.1-175.1-2.600110.9
1086D25.2Very low25.5Very low158 Ų158144.4 Ų144.485%0.84577%0.77SS**  trans-108154.4161.3-102.2-51.1000111.2
1087V32.3Very low25.6Very low122 Ų122146.8 Ų146.874%0.73978%0.776SS**  trans-104.2132.5-163.5178.40000112.5
1088P27.8Very low25.5Very low123 Ų123144.8 Ų144.880%0.79977%0.772SS**  trans-139.9156134.232.7-17000115.2
1089I25.4Very low25.3Very low138 Ų138144.2 Ų144.271%0.70877%0.77SS**  trans-128.1171172.2-60.9176000107.5
1090T25.7Very low25.5Very low134 Ų134147.4 Ų147.482%0.82278%0.777SS**  trans87.6153.5169.984.30000115
1091S24Very low25.4Very low90 Ų90146 Ų14663%0.62977%0.774SS**  cis-161.5142.21.8113.60000114.6
1092Y23.3Very low25.4Very low182 Ų182146.6 Ų146.671%0.71478%0.778SS**  trans73.5135.6141.1-77.8-133.9000118.6
1093R23.8Very low25.6Very low178 Ų178145 Ų14567%0.67277%0.771SS**  64.3150.174.1-72.5-169.5172.2132.4-11.3113.9
1094N30.4Very low25.6Very low121 Ų121139.8 Ų139.865%0.64775%0.749SS**  cis-171.8172.9-12.4-106.28.8000108.1
1095T24.1Very low25.7Very low122 Ų122138.1 Ų138.175%0.74873%0.734SS**  trans57131.4151.944.30000118.9
1096V27.5Very low25.8Very low134 Ų134139 Ų13981%0.81274%0.735SS**  cis70.693.349.6-175.10000113.9
1097D26.6Very low25.7Very low164 Ų164137.9 Ų137.988%0.87773%0.725SS**  trans-162.9170.8162.9-94.8-37.3000106
1098A22.1Very low25.4Very low76 Ų76138.8 Ų138.863%0.62872%0.723SS**  cis-171.6152.9-41.300000107.7
1099Y21.4Very low25.4Very low221 Ų221139.8 Ų139.887%0.86772%0.72SS**  trans-6.2128.8166.1-65.6-99.8000120
1100Q26.4Very low25.3Very low188 Ų188143.4 Ų143.488%0.87973%0.725SS**  -177.4169112.3-99.6167.714.600114.1
1101Q24.3Very low25.4Very low166 Ų166145.9 Ų145.978%0.77673%0.725SS**  trans57.884.1168-133.767.11.100119.6
1102A26.7Very low25.3Very low101 Ų101147.6 Ų147.684%0.83573%0.734SS**  trans-132.478154.700000109.5
1103D29.3Very low25.4Very low120 Ų120144 Ų14464%0.64274%0.735SS**  trans-154.654.8-171-134.5-12.3000116.2
1104L24.2Very low25.3Very low83 Ų83139.8 Ų139.844%0.43573%0.733SS.*  trans-149.767.9151.5-137.459.2000115.9K1154 E1155L1104-K1154 HydrophobicContact CB-CD 4.31Å; L1104-K1154 HydrophobicContact CD2-CD 3.73Å; L1104-K1154 HydrophobicContact CD2-CG 4.16Å; L1104-K1154 HydrophobicContact CG-CD 3.83Å; L1104-E1155 WeakPolarHBondContact CD2-OE2 3.2Å
1105I26.7Very low25Very low93 Ų93140.9 Ų140.948%0.47774%0.738SS.*  45.9100.3115.8-56.3175000115.5
1106K24Very low24.9Very low206 Ų206141 Ų14190%0.89674%0.739SS**  70.243.853.5-155.5-178.6-175.2173.50113.9
1107H24Very low24.8Very low133 Ų133140.5 Ų140.562%0.61674%0.736SS**  trans-96.7131.8164.2-131.9-88.4000110.1
1108M26Very low24.7Very low142 Ų142137.5 Ų137.570%0.773%0.727SS**  trans65107.9168.7-45-158-57.700116.1
1109L27.1Very low24.9Very low143 Ų143141.7 Ų141.775%0.74973%0.733SS**  67132.676.9-65.2164.9000114
1110R24.4Very low25.1Very low214 Ų214137.4 Ų137.481%0.80873%0.73SS**  cis-175.4156.6-18.7-144.6-177.5-167.4157.6-0.6109.1
1111K26.7Very low25.2Very low187 Ų187131.3 Ų131.381%0.81372%0.717SS**  trans76.7151165.5-54.2177.3176.9-177.20118.6
1112P22.9Very low25.1Very low126 Ų126129 Ų12982%0.81872%0.719SS**  trans-94.2157.3157.938.3-33000112.7
1113S25.4Very low24.9Very low106 Ų106131.4 Ų131.474%0.74172%0.723SS**  trans-175.6142.7164.454.10000110.5
1114S22Very low24.5Very low90 Ų90132.2 Ų132.263%0.62973%0.725SS**  trans40.4133.4144.857.90000121
1115D23.5Very low24.3Very low143 Ų143135.9 Ų135.977%0.76574%0.74SS**  cis-165.3150.34.9-94.1-28.9000111.1
1116V21.1Very low24.4Very low124 Ų124136.3 Ų136.375%0.75275%0.751SS**  51.2151.5128.5-168.10000121.9
1117V26.9Very low24.3Very low125 Ų125131.8 Ų131.876%0.75875%0.745SS**  trans79.3116.6-178.5-169.20000113
1118C23.8Very low24.1Very low101 Ų101128.4 Ų128.468%0.68275%0.746SS**  cis87.3148.134.7-58.20000113.6
1119Q25.3Very low24Very low164 Ų164129.1 Ų129.177%0.76675%0.751SS**  cis-169.8164.5-7.3-120.6177.4-55.300110.7
1120V26.6Very low23.7Very low131 Ų131129.9 Ų129.979%0.79475%0.751SS**  trans67.2163.7148.9168.80000115.6
1121G27.7Very low23.6Very low59 Ų59125.7 Ų125.761%0.60874%0.743SS**  cis-135.8-168.22.800000113.8
1122S22.7Very low23.6Very low118 Ų118123 Ų12383%0.82574%0.738SS**SBendcis61.1139.840.9-66.30000114.3M1124S1122-M1124 PolarHBondContact O-N 2.84Å
1123V23.2Very low23.6Very low151 Ų151125.7 Ų125.792%0.91574%0.74SS**SBendtrans-7393.7-179.3-179.30000110.5
1124M20.8Very low24Very low138 Ų138124.7 Ų124.768%0.6873%0.731SS**  trans-85156.2134-92.9175.2160.700108.1S1122S1122-M1124 PolarHBondContact O-N 2.84Å
1125E19.4Very low24Very low160 Ų160127.8 Ų127.875%0.74874%0.735SS**  41.2122.391.7-35.7166.7-164.200112.1
1126S28.8Very low23.9Very low102 Ų102129.8 Ų129.871%0.71374%0.737SS**  cis-136.1150.410.6520000110.6
1127S22Very low24.2Very low110 Ų110129.6 Ų129.677%0.76974%0.736SS**  cis78.293.827.586.20000114.5
1128G20.4Very low23.8Very low62 Ų62128 Ų12864%0.63973%0.731SS**  trans78.2162.6-163.500000110.7
1129I22.7Very low23.8Very low157 Ų157130.4 Ų130.481%0.80573%0.734SS**  cis-137.9111.64.9-70.2168.8000102.5
1130Q22.2Very low24Very low159 Ų159129 Ų12974%0.74373%0.731SS**  54.6138.766.5-148.7-168.2-1.300111.8
1131I22.5Very low24Very low126 Ų126129.8 Ų129.865%0.64673%0.73SS**  trans67.5138.6167.4-60.7143.7000116.3
1132D25.1Very low24Very low132 Ų132131 Ų13171%0.70673%0.734SS**  cis-157.3142-35.6-96.5-33.3000108.1
1133E24.6Very low24.1Very low181 Ų181128.7 Ų128.785%0.84673%0.729SS**  trans58.2-153.6148.8-141.8179.1-136.800116.3
1134P32.9Very low24.2Very low85 Ų85126.8 Ų126.855%0.55272%0.718SS**  -117.1176.4-11841.3-28.5000116.5
1135H22.7Very low24.2Very low156 Ų156129 Ų12972%0.72273%0.726SS**  trans77.2125.8158.6-68.4-23.4000115.9
1136K21.6Very low24.3Very low185 Ų185125.6 Ų125.680%0.80472%0.72SS**  45.8108.888.6-77.8-176.7178.9179.80110.2
1137T26.1Very low24.2Very low120 Ų120124.8 Ų124.874%0.73672%0.72SS**  cis-163159.317.2-490000108.8
1138S18.9Very low24.7Very low92 Ų92128.5 Ų128.564%0.64372%0.722SS**  trans74.7144.9168.395.30000112.5
1139M24.4Very low24.8Very low151 Ų151132 Ų13274%0.74473%0.731SS**  91.213963.7-173.1179.967.300111.5
1140L29.4Very low25.2Very low134 Ų134129.5 Ų129.570%0.70273%0.725SS**  trans67.6145.8178.6-61.1139.8000115.2
1141L26.8Very low25.2Very low148 Ų148127.1 Ų127.178%0.77572%0.722SS**  cis-91.6144.4-15.2-111.550.5000108.5G1143L1141-G1143 VanDerWaalsContact C-N 3.31Å
1142A27.8Very low25.5Very low85 Ų85126.3 Ų126.370%0.70272%0.715SS**  cis55.441.747.700000113
1143G24.1Very low25.8Very low69 Ų69125.8 Ų125.871%0.71172%0.716SS**  trans-115.874.1174.100000111.3L1141L1141-G1143 VanDerWaalsContact C-N 3.31Å
1144T24.2Very low25.8Very low111 Ų111121.7 Ų121.768%0.68170%0.696SS**  trans-25.8147.8157.5510000115
1145Q21.3Very low25.3Very low185 Ų185123.8 Ų123.886%0.86470%0.698SS**  cis-121.5132.139.8-52-152.715.700114.3
1146S21.7Very low25.4Very low87 Ų87122.2 Ų122.261%0.60869%0.694SS**  cis70.481.545-176.50000113.7
1147A27.2Very low25.4Very low86 Ų86120.4 Ų120.471%0.71169%0.688SS**  trans-129.5104.7131.700000110.2
1148K32.6Very low25.3Very low187 Ų187120.7 Ų120.781%0.81369%0.69SS**  trans67.3101149.2-57.7156.7-172.6166.20117.7
1149T21.6Very low25.4Very low135 Ų135121.4 Ų121.483%0.82869%0.687SS**  -30.1139.9127.332.40000112.2
1150P32.2Very low25.2Very low105 Ų105123 Ų12368%0.68269%0.694SS**  -153.7169.369.541.8-22.6000118.7
1151T22.9Very low24.8Very low110 Ų110119.8 Ų119.868%0.67569%0.694SS**  trans20.5114.1142.4-45.70000121.2
1152H27Very low24.4Very low108 Ų108121.7 Ų121.750%0.570%0.696SS.*  -170.7135.3112.6-103-84.7000105.8
1153T31.9Very low24.3Very low121 Ų121127.5 Ų127.574%0.74270%0.7SS**  cis56.543.116.9-43.20000113
1154K24.9Very low24.1Very low95 Ų95131.2 Ų131.241%0.41370%0.701SS.*  trans-157121.4131.1-104.1147.8-162.4-159.90111.3L1104L1104-K1154 HydrophobicContact CB-CD 4.31Å; L1104-K1154 HydrophobicContact CD2-CD 3.73Å; L1104-K1154 HydrophobicContact CD2-CG 4.16Å; L1104-K1154 HydrophobicContact CG-CD 3.83Å
1155E22.4Very low24.1Very low129 Ų129130.5 Ų130.560%0.60369%0.689SS**  53.2136.5111.1-65.1-177.4-178.800119.2L1104L1104-E1155 WeakPolarHBondContact CD2-OE2 3.2Å
1156I23.7Very low24.5Very low124 Ų124127.6 Ų127.664%0.63669%0.687SS**  cis-154.6142.4-10.1-130.2165.1000110.8T1158I1156-T1158 PolarHBondContact O-N 2.98Å
1157Q22.3Very low24.6Very low146 Ų146130.8 Ų130.868%0.68269%0.69SS**  trans-2.488.2134.9-173.2-177.9-10.500116.5D1159Q1157-D1159 HydrophobicContact CG-CB 4.1Å; Q1157-D1159 VanDerWaalsContact CG-OD2 3.26Å; Q1157-D1159 WeakPolarHBondContact CG-OD2 3.46Å; Q1157-D1159 PolarHBondContact NE2-OD2 3.41Å
1158T24.5Very low24.5Very low126 Ų126136.5 Ų136.577%0.77370%0.699SS**  trans-116.4112.9132.113.40000104.4I1156I1156-T1158 PolarHBondContact O-N 2.98Å
1159D19.9Very low24.2Very low108 Ų108133.5 Ų133.558%0.57870%0.696SS**  cis61.5139.236.8-114-31.8000112.1Q1157Q1157-D1159 HydrophobicContact CG-CB 4.1Å; Q1157-D1159 VanDerWaalsContact CG-OD2 3.26Å; Q1157-D1159 WeakPolarHBondContact CG-OD2 3.46Å; Q1157-D1159 PolarHBondContact NE2-OD2 3.41Å
1160M21.8Very low24.3Very low183 Ų183132.6 Ų132.690%0.90170%0.695SS**  trans71.2123.9-172.2-47.9-153.4-63.700116.7
1161G20.3Very low23.9Very low67 Ų67136.8 Ų136.869%0.69170%0.703SS**  cis179.2118-4.300000116.2R1163G1161-R1163 PolarHBondContact O-N 2.99Å
1162F17.9Very low24.1Very low189 Ų189136.1 Ų136.183%0.82971%0.708SS**  11.798.6123.7-77.6-92.5000117.9M1164F1162-M1164 HydrophobicContact CD1-CB 4.46Å; F1162-M1164 HydrophobicContact CD1-CG 4.48Å
1163R26Very low24Very low207 Ų207136.4 Ų136.478%0.78172%0.717SS**  trans-163.8107.3131.7-115.7176.1157.8-177.6-8.4108.6G1161 E1165G1161-R1163 PolarHBondContact O-N 2.99Å; R1163-E1165 IonicContact CZ-OE1 2.73Å; R1163-E1165 IonicContact NE-OE1 2.7Å; R1163-E1165 PolarHBondContact NE-OE1 3.48Å; R1163-E1165 IonicContact NH2-OE1 2.65Å; R1163-E1165 PolarHBondContact NH2-OE1 2.93Å
1164M19Very low23.8Very low147 Ų147138 Ų13872%0.72472%0.721SS**  cis66.267.716.1-113.1-64.1-85.500113.8F1162F1162-M1164 HydrophobicContact CD1-CB 4.46Å; F1162-M1164 HydrophobicContact CD1-CG 4.48Å
1165E25.6Very low23.7Very low95 Ų95140.4 Ų140.444%0.44474%0.738SS.*  trans-167.4103.1147.8-102.6175.4-97.200107R1163 K1167R1163-E1165 IonicContact CZ-OE1 2.73Å; R1163-E1165 IonicContact NE-OE1 2.7Å; R1163-E1165 PolarHBondContact NE-OE1 3.48Å; R1163-E1165 IonicContact NH2-OE1 2.65Å; R1163-E1165 PolarHBondContact NH2-OE1 2.93Å; E1165-K1167 WeakPolarHBondContact OE2-CE 3.37Å; E1165-K1167 IonicContact OE2-NZ 3.65Å; E1165-K1167 PolarHBondContact OE2-NZ 3.11Å
1166P29.3Very low23.9Very low124 Ų124140 Ų14081%0.80575%0.745SS**  -114.4124.4110.231.1-33.7000111.2F1168P1166-F1168 PolarHBondContact O-N 2.9Å
1167K23.2Very low23.8Very low155 Ų155141.4 Ų141.467%0.67475%0.752SS**  trans-70.8112.8171.9-69139.5167.2155.20109.1E1165E1165-K1167 WeakPolarHBondContact OE2-CE 3.37Å; E1165-K1167 IonicContact OE2-NZ 3.65Å; E1165-K1167 PolarHBondContact OE2-NZ 3.11Å
1168F26.1Very low23.9Very low206 Ų206139.6 Ų139.690%0.90475%0.754SS**  trans-116.7113.5151.3-104.1-85.2000109.6P1166 S1170P1166-F1168 PolarHBondContact O-N 2.9Å; F1168-S1170 PolarHBondContact O-N 2.94Å
1169V25.3Very low23.8Very low123 Ų123142.5 Ų142.575%0.74576%0.759SS**  trans-82.8106.6-175.4178.70000108.5K1171V1169-K1171 HydrophobicContact CG1-CB 4.38Å; V1169-K1171 PolarHBondContact O-N 3.18Å
1170S24.1Very low24Very low116 Ų116143.8 Ų143.881%0.81177%0.771SS**  trans-70.177.5172.657.50000111F1168 A1172F1168-S1170 PolarHBondContact O-N 2.94Å; S1170-A1172 PolarHBondContact O-N 3.32Å; S1170-A1172 VanDerWaalsContact O-N 3.12Å
1171K24.9Very low24.2Very low194 Ų194138.3 Ų138.384%0.84376%0.761SS**  trans-86.754.2175.6-158.5-176.4179.6-175.60111.7V1169V1169-K1171 HydrophobicContact CG1-CB 4.38Å; V1169-K1171 PolarHBondContact O-N 3.18Å
1172A26.2Very low24.4Very low95 Ų95143.2 Ų143.279%0.78577%0.766SS**  trans-101.169.2174.700000110.3S1170S1170-A1172 PolarHBondContact O-N 3.32Å; S1170-A1172 VanDerWaalsContact O-N 3.12Å
1173V24Very low24.7Very low114 Ų114140.4 Ų140.469%0.69176%0.764SS**  trans-90.8107.3163.8177.60000107.1
1174N29Very low24.6Very low156 Ų156137 Ų13783%0.83476%0.761SS**  trans-145.495.7164.6-97-24000107.4V1176N1174-V1176 PolarHBondContact O-N 3.3Å
1175D22.5Very low24.8Very low144 Ų144138 Ų13877%0.7776%0.764SS**  trans-66.9114.3173.2-64.7-69000109.9
1176V25.6Very low24.6Very low121 Ų121142.6 Ų142.673%0.73379%0.785SS**  trans-117.796.8165.5-177.30000108.2N1174 C1178N1174-V1176 PolarHBondContact O-N 3.3Å; V1176-C1178 PolarHBondContact O-N 2.9Å
1177I22.6Very low24.3Very low153 Ų153142.2 Ų142.279%0.78578%0.781SS**  trans-73.994.1177.4-59.3172.7000108.6Q1179I1177-Q1179 PolarHBondContact O-N 3.21Å
1178C24.1Very low24.2Very low109 Ų109140.6 Ų140.674%0.73679%0.788SS**  trans-77.5100.7166.7-70.30000109.4V1176V1176-C1178 PolarHBondContact O-N 2.9Å
1179Q22.7Very low24.1Very low186 Ų186137 Ų13787%0.86978%0.784SS**PPolyproline II helixtrans-73.8132.9-176.6-157169.423.800111.4I1177 G1181I1177-Q1179 PolarHBondContact O-N 3.21Å; Q1179-G1181 PolarHBondContact O-N 3.09Å
1180V24.7Very low23.9Very low136 Ų136140.7 Ų140.782%0.82479%0.793SS**PPolyproline II helixtrans-82116.6-171177.60000111.6
1181G26Very low23.8Very low68 Ų68140.5 Ų140.570%0.70179%0.791SS**PPolyproline II helixtrans-88.5129.3163.300000110.8Q1179Q1179-G1181 PolarHBondContact O-N 3.09Å
1182Q23.5Very low23.7Very low170 Ų170138.4 Ų138.479%0.79480%0.795SS**PPolyproline II helixtrans-87.6131.4-164.6-171.6171.6-6.600113.4
1183V24.1Very low23.4Very low130 Ų130141.4 Ų141.479%0.78879%0.792SS**PPolyproline II helixtrans-94.7121.4170.3178.50000108.9
1184N25.2Very low23.2Very low136 Ų136146.2 Ų146.273%0.72780%0.8SS**PPolyproline II helixtrans-87.9127.8174.8-75.9-14.8000110.9
1185H23.1Very low22.8Very low167 Ų167144.5 Ų144.577%0.77379%0.794SS**PPolyproline II helixtrans-86.9133.3167-107.5-87.7000109.8
1186E21.3Very low22.8Very low191 Ų191144.3 Ų144.389%0.89380%0.799SS**  trans-119.1127.2150.8-72.2-167.114800108.6
1187V22.2Very low22.6Very low117 Ų117144.6 Ų144.671%0.70980%0.801SS**  trans-127.9104.7172.9-177.90000106.2
1188S21.8Very low22.4Very low120 Ų120149.1 Ų149.184%0.83981%0.808SS**  trans-73.8135.5179.3-164.60000110.3
1189T22.7Very low22.5Very low132 Ų132150 Ų15081%0.8181%0.812SS**  trans-84.4156.4-174.945.70000112.3
1190Q21.3Very low22.4Very low200 Ų200145.5 Ų145.594%0.93581%0.807SS**  trans-126.3131.9165.6-162.1168.531.300109
1191S21.5Very low22.2Very low111 Ų111146.7 Ų146.778%0.77680%0.803SS**  trans-114.2140.6-168.346.80000112.5
1192V23.2Very low22.1Very low151 Ų151150.5 Ų150.592%0.91580%0.801SS**  trans-140.2147.6158.1-1760000107.7
1193E20.3Very low22.2Very low157 Ų157148.1 Ų148.173%0.73479%0.793SS**  trans-129.1147.9-168.5174.1179.9-14200109.1
1194Y20.1Very low22.3Very low216 Ų216148.9 Ų148.985%0.84780%0.798SS**  trans168.9164.9136.7-104.4-80.4000112.7
1195V21.1Very low22.3Very low119 Ų119145.8 Ų145.872%0.72180%0.799SS**  trans-132.4148.7-163.5173.40000111.6
1196T21.5Very low22.4Very low141 Ų141145.8 Ų145.887%0.86580%0.803SS**  trans-170.7153.7147-78.60000111.1
1197T21.1Very low22.5Very low126 Ų126143.7 Ų143.777%0.77380%0.797SS**  trans-121.6159.6-169.252.60000114.7
1198R20Very low23Very low249 Ų249143 Ų14394%0.9480%0.795SS**  trans-161.2158.1158.6-110.1173.3-172.2-149.80.2112.7
1199P24.4Very low23.1Very low126 Ų126144.2 Ų144.282%0.81879%0.791SS**  trans-128.9156.9-161.741.5-27.3000118.4
1200A21.1Very low23.2Very low93 Ų93146.4 Ų146.477%0.76979%0.792SS**  trans-164.7130.5152.600000109.6
1201H21.8Very low23.4Very low161 Ų161142.6 Ų142.675%0.74578%0.782SS**  73.3127.576.2-132.6-122.7000112.8
1202K23.7Very low23.5Very low148 Ų148146.3 Ų146.364%0.64378%0.779SS**  cis-170.7172.7-4.1-134-172.5-167.8174.80113.2
1203D25.5Very low23.6Very low119 Ų119145.8 Ų145.864%0.63677%0.767SS**  trans72.8123149.4-61.1-24.1000125.1
1204T25.6Very low23.7Very low146 Ų146143.2 Ų143.290%0.89675%0.753SS**  trans65.6135.3148.457.60000121.7
1205G25.3Very low23.8Very low71 Ų71142.5 Ų142.573%0.73275%0.754SS**  cis163.8161.8-12.800000116
1206I24.6Very low24Very low168 Ų168143.3 Ų143.386%0.86276%0.76SS**  trans8292.9156.8-50.2171.1000119.8
1207D23.9Very low24Very low146 Ų146140.5 Ų140.578%0.78175%0.75SS**  7.4169.1121.7-74-46.5000123
1208P32Very low24.1Very low103 Ų103141.3 Ų141.367%0.66975%0.75SS**  cis-141.6-142.4-38.239.7-17.9000112.5
1209I23.6Very low24.1Very low145 Ų145136.1 Ų136.174%0.74474%0.741SS**  trans89106.2168.7-55.6163.8000114.8
1210H25.9Very low23.9Very low179 Ų179136.2 Ų136.283%0.82974%0.739SS**  57.8137.775.6-88.5-93.6000114.6
1211V25.5Very low24Very low119 Ų119138.7 Ų138.772%0.72174%0.744SS**  -159.8155.159.4165.50000111.2
1212W22.8Very low23.9Very low190 Ų190136 Ų13672%0.7274%0.74SS**  trans-9.7157.6153.3-99-22.9000120.6K1214W1212-K1214 HydrophobicContact CD2-CD 4.19Å; W1212-K1214 HydrophobicContact CG-CD 4.11Å
1213E25.8Very low23.6Very low140 Ų140137.1 Ų137.165%0.65475%0.747SS**  -138.7-178.761.5-94.2-61.8124.900116.3
1214K22.6Very low23.4Very low103 Ų103137.8 Ų137.845%0.44876%0.756SS.*  trans-155.7129.8-161.670.5-48.4-174.8-175.80117.3W1212W1212-K1214 HydrophobicContact CD2-CD 4.19Å; W1212-K1214 HydrophobicContact CG-CD 4.11Å
1215K22.2Very low23.2Very low200 Ų200134.7 Ų134.787%0.8775%0.752SS**  trans61.1131159.7-57.9-179177.3-175.60120.9
1216T25.1Very low23Very low137 Ų137139 Ų13984%0.8476%0.757SS**  -162.9139.6122.231.60000106.8
1217A20.9Very low22.8Very low81 Ų81137.1 Ų137.167%0.66975%0.753SS**  cis85.1112.33200000114.4
1218N24.1Very low22.6Very low144 Ų144138.4 Ų138.477%0.7775%0.754SS**  172.4121120.7-82.90.8000113.5
1219D19.6Very low22.3Very low139 Ų139139.7 Ų139.774%0.74376%0.76SS**  trans39.9112.4133.5-52.1-18.7000123
1220V20.7Very low22.2Very low128 Ų128137.4 Ų137.478%0.77676%0.757SS**  20.2114.3120.9-171.70000118T1222V1220-T1222 HydrophobicContact CG1-CG2 4.45Å
1221V22.2Very low22.2Very low145 Ų145138.7 Ų138.788%0.87976%0.76SS**  trans-133.4139.4141.9-179.40000108.9
1222T20.1Very low22Very low106 Ų106140.5 Ų140.565%0.6576%0.764SS**  trans-95.6173.3-174.745.50000113.7V1220V1220-T1222 HydrophobicContact CG1-CG2 4.45Å
1223Q18.5Very low22.1Very low170 Ų170137.9 Ų137.979%0.79477%0.769SS**  trans96.299.8140.1-149.5159.11500118.4
1224T21.3Very low21.9Very low134 Ų134137.8 Ų137.882%0.82277%0.769SS**  trans8.1109.3142.153.50000118
1225G20Very low22Very low80 Ų80137.5 Ų137.583%0.82579%0.786SS**  trans-116.5119.5161.400000111
1226I22.2Very low22.1Very low161 Ų161135.6 Ų135.683%0.82678%0.78SS**  trans-82.6142.1171.3-60.6162.7000108.2
1227V19.9Very low22.1Very low130 Ų130135.1 Ų135.179%0.78877%0.771SS**  trans179.6118.6138.1143.40000113.1
1228H19.6Very low22.2Very low173 Ų173139.2 Ų139.280%0.80178%0.78SS**  trans27.5115.5131.4-126.5-94000120.9
1229T26.1Very low22.2Very low129 Ų129139.3 Ų139.379%0.79178%0.776SS**  trans178.1156.5141.834.30000107.7
1230S21.3Very low22.3Very low98 Ų98141.3 Ų141.369%0.68578%0.781SS**  cis-171.6162.8-22.2-92.20000108
1231K25Very low22.4Very low206 Ų206142.7 Ų142.790%0.89678%0.779SS**  trans76.1114168.8-61.4-173.8176.1-177.10118.7
1232I21.3Very low22.3Very low157 Ų157140.1 Ų140.181%0.80577%0.766SS**  trans-69.6143.1163.9-63.8147.5000110.5
1233T26.4Very low22.5Very low134 Ų134139 Ų13982%0.82276%0.758SS**  trans-151.684.1141.1-24.90000111.5
1234Q21.8Very low22.7Very low139 Ų139135.7 Ų135.765%0.6574%0.739SS**  trans41.697.6137.2-167.2166.3-3.700118.5E1236Q1234-E1236 HydrophobicContact CG-CG 3.88Å; Q1234-E1236 PolarHBondContact NE2-OE1 3.16Å
1235A23.2Very low22.7Very low96 Ų96133.7 Ų133.779%0.79373%0.727SS**  trans-95.1123.2147.100000108.2L1237A1235-L1237 VanDerWaalsContact C-N 3.28Å; A1235-L1237 PolarHBondContact O-N 3.05Å; A1235-L1237 VanDerWaalsContact O-N 3.12Å
1236E25.8Very low22.9Very low160 Ų160137.9 Ų137.975%0.74872%0.722SS**  trans-85.772.6172.8-68.2-170.815900110.4Q1234Q1234-E1236 HydrophobicContact CG-CG 3.88Å; Q1234-E1236 PolarHBondContact NE2-OE1 3.16Å
1237L24.4Very low22.9Very low127 Ų127134.5 Ų134.567%0.66572%0.718SS**  trans-84.9111.3164.9-172.971.9000108.6A1235 Q1239A1235-L1237 VanDerWaalsContact C-N 3.28Å; A1235-L1237 PolarHBondContact O-N 3.05Å; A1235-L1237 VanDerWaalsContact O-N 3.12Å; L1237-Q1239 VanDerWaalsContact C-N 3.27Å; L1237-Q1239 HydrophobicContact CD2-CB 3.87Å; L1237-Q1239 HydrophobicContact CG-CB 3.98Å; L1237-Q1239 PolarHBondContact O-N 2.78Å
1238I22.5Very low22.9Very low167 Ų167134 Ų13486%0.85671%0.71SS**  trans-73.188.5166.8-57.8177.7000107.5
1239Q24.4Very low23Very low147 Ų147133.7 Ų133.769%0.68771%0.709SS**  trans-125.8104.3171-176.2168.353.800108.6L1237 Q1241L1237-Q1239 VanDerWaalsContact C-N 3.27Å; L1237-Q1239 HydrophobicContact CD2-CB 3.87Å; L1237-Q1239 HydrophobicContact CG-CB 3.98Å; L1237-Q1239 PolarHBondContact O-N 2.78Å; Q1239-Q1241 PolarHBondContact O-N 3.38Å
1240E20.9Very low22.9Very low180 Ų180133.8 Ų133.884%0.84171%0.709SS**  trans-62.5132.4173.1-61.8-174.9137.600109.6P1242E1240-P1242 WeakPolarHBondContact O-CD 3.34Å
1241Q23.8Very low22.9Very low157 Ų157137.4 Ų137.473%0.73472%0.715SS**  trans-100.1120.7179.2-67.5-174.7-0.700111.7Q1239 V1243Q1239-Q1241 PolarHBondContact O-N 3.38Å; Q1241-V1243 HydrophobicContact CB-CG2 3.89Å; Q1241-V1243 PolarHBondContact O-N 3.44Å
1242P20.8Very low23Very low92 Ų92135.2 Ų135.260%0.59771%0.713SS**  trans-76.6100.4148.5-10.328.2000108.3E1240 Y1244E1240-P1242 WeakPolarHBondContact O-CD 3.34Å; P1242-Y1244 HydrophobicContact CB-CE2 4.02Å
1243V22.8Very low22.9Very low81 Ų81133 Ų13349%0.49171%0.707SS.*  trans-80.5139.7178.9172.10000110.8Q1241 V1245 V1492Q1241-V1243 HydrophobicContact CB-CG2 3.89Å; Q1241-V1243 PolarHBondContact O-N 3.44Å; V1243-V1245 HydrophobicContact CG1-CG2 4.01Å; V1243-V1492 WeakPolarHBondContact O-CG2 3.33Å
1244Y23.1Very low22.8Very low101 Ų101132.4 Ų132.440%0.39671%0.705SS.*  trans-113.7101.2178.1-81.8-64000115.1P1242 I1489 C1490 V1492P1242-Y1244 HydrophobicContact CB-CE2 4.02Å; Y1244-I1489 WeakPolarHBondContact OH-CA 3.3Å; Y1244-I1489 VanDerWaalsContact OH-CG2 3.28Å; Y1244-I1489 WeakPolarHBondContact OH-CG2 3.14Å; Y1244-C1490 HydrophobicContact CD1-CB 3.7Å; Y1244-C1490 HydrophobicContact CE1-CB 3.38Å; Y1244-C1490 VanDerWaalsContact CE1-N 3.33Å; Y1244-C1490 WeakPolarHBondContact CE1-O 3.35Å; Y1244-C1490 PolarHBondContact OH-N 3.06Å; Y1244-C1490 PolarHBondContact OH-O 3.35Å; Y1244-V1492 HydrophobicContact CD1-CG2 3.86Å; Y1244-V1492 HydrophobicContact CE1-CG2 3.97Å
1245V21.4Very low22.7Very low93 Ų93133 Ų13356%0.56471%0.711SS**  trans-111.385172.3-171.20000111.4V1243 V1492V1243-V1245 HydrophobicContact CG1-CG2 4.01Å; V1245-V1492 HydrophobicContact CB-CG1 3.88Å
1246K23.9Very low22.7Very low168 Ų168134.4 Ų134.473%0.7371%0.711SS**  44.3110.5122.4-165.7-174.1-170.3-173.30120I1248K1246-I1248 HydrophobicContact CG-CG1 4.27Å
1247A21.8Very low22.5Very low90 Ų90132.7 Ų132.774%0.74472%0.716SS**  -131.8138.1129.800000105.8
1248I20.8Very low22.3Very low119 Ų119137 Ų13761%0.6173%0.725SS**  53.9103.751.1-48.8177.8000108.1K1246K1246-I1248 HydrophobicContact CG-CG1 4.27Å
1249E22.3Very low22.2Very low167 Ų167139.6 Ų139.678%0.7872%0.724SS**  -154-157.752.9-147.1149.2-12400112.1
1250T24.3Very low22.1Very low130 Ų130138.9 Ų138.980%0.79873%0.725SS**  trans68.4120.6-171.366.50000112.9
1251Q20.7Very low22.1Very low174 Ų174136 Ų13681%0.81372%0.719SS**  cis53.797.330-62.1-175.9-17.200111.7
1252D26Very low22Very low160 Ų160133.8 Ų133.886%0.85672%0.717SS**  -146.3168.971-108.3-37.8000116.3
1253V20.7Very low22Very low110 Ų110137.3 Ų137.367%0.66773%0.73SS**  trans-115.2130.7-1731740000111.2I1255V1253-I1255 HydrophobicContact CG1-CD1 4.25Å; V1253-I1255 HydrophobicContact CG1-CG1 3.85Å
1254P22.8Very low22Very low122 Ų122136.6 Ų136.679%0.79273%0.733SS**  trans-124.3112.8132.21.819.4000112T1256P1254-T1256 PolarHBondContact O-N 3.09Å
1255I20.3Very low22.1Very low151 Ų151141.7 Ų141.777%0.77475%0.753SS**  trans-70.6111.3159.1-64.1157.8000107.1V1253V1253-I1255 HydrophobicContact CG1-CD1 4.25Å; V1253-I1255 HydrophobicContact CG1-CG1 3.85Å
1256T22.8Very low22.2Very low127 Ų127146.4 Ų146.478%0.77977%0.769SS**  trans-178.1101.7145.216.70000112P1254P1254-T1256 PolarHBondContact O-N 3.09Å
1257S22.5Very low22.1Very low123 Ų123146.2 Ų146.286%0.8677%0.771SS**  trans-13480.2155.5-173.50000108.6
1258Y19.7Very low22.3Very low218 Ų218146.1 Ų146.186%0.85577%0.77SS**  trans-13285.7-176.4-127.4-70.7000108.8
1259R20.6Very low22.4Very low221 Ų221147.9 Ų147.983%0.83478%0.78SS**  trans177.7132.1160.5-97.7151.7-178.3174.41.6106.7
1260N21.8Very low22.5Very low133 Ų133147.3 Ų147.371%0.71178%0.782SS**  61.3132.770.6-56.219.7000110.7
1261T21.1Very low22.4Very low118 Ų118147 Ų14772%0.72477%0.774SS**  cis-171.4-168.83.714.90000106.7
1262V22.4Very low22.5Very low111 Ų111148.9 Ų148.967%0.67378%0.78SS**  trans82.9118.6160.8-168.30000112.3A1264V1262-A1264 HydrophobicContact CG1-CB 4.33Å
1263D21Very low22.3Very low166 Ų166148.4 Ų148.489%0.88877%0.772SS**  cis69.741.530.5-57.7-49.1000115.9
1264A22.7Very low22.3Very low66 Ų66149.8 Ų149.855%0.54577%0.773SS.*  trans-153.6144.514900000107.9V1262V1262-A1264 HydrophobicContact CG1-CB 4.33Å
1265Y24.5Very low22.5Very low209 Ų209150.9 Ų150.982%0.8277%0.771SS**  cis-132.1146.221.3-84.8-95.8000113.7
1266Q23Very low22.9Very low192 Ų192154.4 Ų154.490%0.89778%0.775SS**  trans-73.7135.6146.1-68.7173.5-38.300108.3
1267Q22.9Very low23.1Very low164 Ų164157.6 Ų157.677%0.76678%0.778SS**  trans-136.6141.9174.1-167.582.927.800107.4
1268A24.8Very low23.1Very low88 Ų88157.8 Ų157.873%0.72778%0.776SS**  trans64.198.9-160.700000112
1269D24.4Very low23.3Very low155 Ų155152.6 Ų152.683%0.82977%0.772SS**  cis62.179.416.3-108.2-18.4000114.1
1270L22.5Very low23.4Very low156 Ų156146.5 Ų146.582%0.81776%0.763SS**  trans-142.795.1151.3-158.472.1000112.9
1271I23.9Very low23.3Very low123 Ų123147.3 Ų147.363%0.63177%0.767SS**  trans65.9100146.7-58.3172.4000117.1H1273I1271-H1273 HydrophobicContact CG2-CB 4.04Å; I1271-H1273 PolarHBondContact O-N 3.27Å
1272K21.8Very low23.3Very low214 Ų214147.4 Ų147.493%0.9377%0.767SS**  trans-62.5107.3138.6-85.9-177.5175.7174.20108.8M1274K1272-M1274 PolarHBondContact O-N 2.74Å
1273H23Very low23.2Very low150 Ų150148 Ų14869%0.69477%0.771SS**  trans-88103.5159.8-144.1-58000108.7I1271I1271-H1273 HydrophobicContact CG2-CB 4.04Å; I1271-H1273 PolarHBondContact O-N 3.27Å
1274M20.7Very low23.2Very low139 Ų139144.8 Ų144.869%0.68576%0.761SS**  trans32.1130160.7-51.2-165.6-50.500118.8K1272K1272-M1274 PolarHBondContact O-N 2.74Å
1275L26.5Very low23.2Very low144 Ų144150.4 Ų150.475%0.75478%0.776SS**  -162.9159.766.9-89.4169.3000113.6
1276R28.1Very low23.1Very low225 Ų225146.6 Ų146.685%0.84977%0.774SS**  trans71.9112.4159.8-72.8175179.3169.91120.2
1277K26.8Very low23Very low194 Ų194140.7 Ų140.784%0.84376%0.764SS**  trans59.4119.5130.4-67.7-163.9170.1-165.70120.4
1278P21.9Very low23Very low127 Ų127138.8 Ų138.883%0.82577%0.769SS**  trans-92.6140.2160.836.2-30.6000112.6
1279S24.3Very low22.8Very low110 Ų110140.7 Ų140.777%0.76977%0.771SS**  trans170.3135.2154.954.10000107.8
1280S22.7Very low22.6Very low93 Ų93141.1 Ų141.165%0.6577%0.771SS**  cis-174.9148.1-11.841.50000106
1281D20.8Very low22.6Very low149 Ų149141.7 Ų141.780%0.79777%0.769SS**  trans65.7151.9154.8-59.7-22000119.3
1282V20.3Very low22.6Very low120 Ų120140.8 Ų140.873%0.72777%0.773SS**  cis-161.2157.2-33.287.60000109.5
1283V20.9Very low22.6Very low123 Ų123136.7 Ų136.775%0.74577%0.772SS**  trans65.2136.2158.7170.30000120.6
1284C21.4Very low22.5Very low99 Ų99132.7 Ų132.767%0.66977%0.772SS**  trans-44.5156.6167.1-37.50000117.3
1285Q21.7Very low22.5Very low185 Ų185134.2 Ų134.286%0.86478%0.781SS**  -157123.1111.5-101.5155.1-23.900107.7
1286V21.8Very low22.4Very low128 Ų128135.6 Ų135.678%0.77678%0.783SS**  54.1106.680-1770000110.5
1287G22.4Very low22Very low68 Ų68132 Ų13270%0.70178%0.78SS**  trans-74.9174.8-174.200000114.4
1288S22.4Very low21.9Very low124 Ų124129.8 Ų129.887%0.86778%0.777SS**  trans-145.5154.6167.5-75.60000109.7
1289V20.9Very low22.1Very low128 Ų128130.3 Ų130.378%0.77677%0.768SS**  trans-106.9172.7-171.6-176.60000109.1
1290M20.6Very low22.3Very low165 Ų165131.1 Ų131.181%0.81377%0.771SS**  trans78.8150.6-179.1-58.7171.8-68.400113.8
1291E21.9Very low22.3Very low167 Ų167133.2 Ų133.278%0.7877%0.77SS**  cis162.7140.2-29.3-108.5-176.9160.800105.2
1292S23.1Very low22.5Very low104 Ų104136.3 Ų136.373%0.72778%0.776SS**  trans69.3130.5154.877.10000121.6
1293S22.7Very low22.6Very low128 Ų128136.3 Ų136.390%0.89578%0.777SS**  trans71.9164.9146.680.90000119.7
1294G21.3Very low22.7Very low67 Ų67136.1 Ų136.169%0.69178%0.781SS**  trans113.752.1158.900000118.9
1295I20.2Very low22.7Very low171 Ų171140 Ų14088%0.87779%0.792SS**  trans31.7125.2136.4-64.5168.8000119.2
1296Q23.1Very low22.8Very low173 Ų173139 Ų13981%0.80879%0.791SS**  trans-78.4172.6169.9-166177.121.400112.5
1297I21.1Very low23Very low150 Ų150141 Ų14177%0.76980%0.796SS**  trans84.8124.1177-49.4153.9000110.6
1298D23.3Very low23.1Very low147 Ų147142 Ų14279%0.78680%0.799SS**  -149.2177.155.7-140.3-26.6000115.6
1299E27Very low23.1Very low138 Ų138139.1 Ų139.165%0.64579%0.788SS**  trans-71.5159.9-175.9-59.1-167.884.700115.2H1301E1299-H1301 IonicContact OE1-CE1 3.17Å; E1299-H1301 PolarHBondContact OE1-CE1 3.41Å; E1299-H1301 IonicContact OE1-ND1 2.88Å; E1299-H1301 PolarHBondContact OE1-ND1 3.04Å; E1299-H1301 IonicContact OE2-CE1 3.35Å; E1299-H1301 PolarHBondContact OE2-CE1 2.88Å; E1299-H1301 IonicContact OE2-ND1 3.91Å
1300P28.1Very low23.2Very low126 Ų126138.8 Ų138.882%0.81879%0.786SS**  -144.8152.29337.6-21.9000116.5
1301H22.4Very low23.2Very low138 Ų138139.9 Ų139.964%0.63979%0.789SS**  trans-69.3161-175.2-20.7-72.7000116.1E1299E1299-H1301 IonicContact OE1-CE1 3.17Å; E1299-H1301 PolarHBondContact OE1-CE1 3.41Å; E1299-H1301 IonicContact OE1-ND1 2.88Å; E1299-H1301 PolarHBondContact OE1-ND1 3.04Å; E1299-H1301 IonicContact OE2-CE1 3.35Å; E1299-H1301 PolarHBondContact OE2-CE1 2.88Å; E1299-H1301 IonicContact OE2-ND1 3.91Å
1302K25.8Very low23.2Very low213 Ų213137.7 Ų137.793%0.92679%0.793SS**  trans-149.8126.5132.1-125.3168.3-172.1171.60114.6
1303T22.1Very low23.3Very low121 Ų121136.8 Ų136.874%0.74279%0.791SS**  trans-75.4140.5-171.3-460000114.1
1304S23.3Very low23.2Very low118 Ų118140.2 Ų140.283%0.82579%0.79SS**  trans-155.657.1155.4-161.30000114.4
1305M21.2Very low23.4Very low182 Ų182142.9 Ų142.990%0.89779%0.793SS**  trans-161.4123.5150.6-115.3-163.7-60.300110.3
1306L23.5Very low23.6Very low163 Ų163140.4 Ų140.485%0.85379%0.788SS**  trans-15686.9164.4-151.8170.2000109.4
1307L27Very low23.4Very low169 Ų169137.5 Ų137.589%0.88578%0.783SS**  trans-146152.7166.3-14073.7000108.6
1308A24.4Very low23.5Very low91 Ų91139 Ų13975%0.75279%0.786SS**  trans-63.6156.3175.800000111
1309G22.3Very low23.5Very low62 Ų62137.8 Ų137.864%0.63978%0.784SS**  cis97.9145.720.100000110.8
1310T22.5Very low23.2Very low121 Ų121139.3 Ų139.374%0.74279%0.789SS**  trans65111.4-17356.80000115.3
1311Q20.9Very low22.9Very low188 Ų188141.1 Ų141.188%0.87979%0.786SS**  66.3114.393.6-65.9174.615.300115.5
1312S22.7Very low22.9Very low122 Ų122141.4 Ų141.485%0.85379%0.791SS**  trans177167.7133.1-163.80000111.5
1313A25.1Very low22.6Very low84 Ų84138.8 Ų138.869%0.69478%0.782SS**  trans53.9116.1173.200000117.3
1314K20.6Very low22.6Very low201 Ų201138.3 Ų138.387%0.87478%0.779SS**  cis74.6121.642-60.6-169.2173.6-175.40116.1
1315T24Very low22.5Very low122 Ų122139.9 Ų139.975%0.74878%0.778SS**  trans-54.8149148.427.70000111
1316P24.3Very low22.6Very low119 Ų119138.8 Ų138.877%0.77377%0.773SS**  -130163.666.529.2-10000113.9
1317T19.9Very low22.6Very low113 Ų113134.8 Ų134.869%0.69377%0.771SS**  cis81.479.232.9-44.60000115
1318H22.4Very low22.2Very low180 Ų180136.1 Ų136.183%0.83377%0.77SS**  trans-163118.4152.1-98.8-84.9000104.5
1319T23.7Very low22.1Very low123 Ų123140.6 Ų140.676%0.75577%0.767SS**  -153.4123.453.3-64.30000106.8
1320K21.2Very low22Very low170 Ų170146.3 Ų146.374%0.73978%0.779SS**  58.1137.993-98-168.1177.3-1660115.3
1321E22.4Very low22.1Very low164 Ų164147.1 Ų147.177%0.76678%0.775SS**  trans71.4142.7169.7-64.7163.1-151.600115.8
1322I21.5Very low22.1Very low144 Ų144143.9 Ų143.974%0.73877%0.77SS**  cis-147.6160.4-4.5-127.6161.1000112.7
1323Q19.2Very low22Very low158 Ų158147 Ų14774%0.73877%0.768SS**  trans-16.2147.9166.4-100.8175.9-86.900122.7
1324T21.7Very low21.8Very low110 Ų110153.2 Ų153.268%0.67578%0.78SS**  trans26.9141.9133.357.40000120
1325D21.1Very low21.8Very low151 Ų151149.4 Ų149.481%0.80777%0.774SS**  -16016652.4-154.51.8000115.8
1326M23.3Very low21.7Very low160 Ų160149.1 Ų149.179%0.78878%0.777SS**  trans-106.6106171-73.6-156.1-59.600111.7
1327G24.3Very low21.6Very low79 Ų79153 Ų15381%0.81478%0.781SS**  trans-108.977.4178.800000114.1R1329G1327-R1329 PolarHBondContact O-N 3.12Å
1328F18.6Very low21.8Very low196 Ų196152 Ų15286%0.8679%0.785SS**  trans-72.7121.2166.6-86.2-95.1000110.4
1329R22.8Very low21.8Very low185 Ų185149.1 Ų149.170%0.69878%0.78SS**  trans-132.8107.5160.8-167166.1-172.7-85-12.2109.7G1327 E1331G1327-R1329 PolarHBondContact O-N 3.12Å; R1329-E1331 IonicContact CZ-OE1 3.36Å; R1329-E1331 IonicContact CZ-OE2 3.54Å; R1329-E1331 IonicContact NH1-OE1 3.31Å; R1329-E1331 PolarHBondContact NH1-OE1 3.43Å; R1329-E1331 IonicContact NH1-OE2 2.69Å; R1329-E1331 PolarHBondContact NH1-OE2 2.85Å; R1329-E1331 IonicContact NH2-OE1 2.69Å; R1329-E1331 PolarHBondContact NH2-OE1 2.69Å; R1329-E1331 IonicContact NH2-OE2 3.56Å
1330M20.5Very low22Very low182 Ų182150.2 Ų150.290%0.89778%0.781SS**  trans-68.1136.3161.4-72.3-162.7-65.700108.6
1331E23.1Very low22Very low138 Ų138149.1 Ų149.165%0.64578%0.783SS**  trans-144.5142.5150.2-147.1152.2-125.500109R1329R1329-E1331 IonicContact CZ-OE1 3.36Å; R1329-E1331 IonicContact CZ-OE2 3.54Å; R1329-E1331 IonicContact NH1-OE1 3.31Å; R1329-E1331 PolarHBondContact NH1-OE1 3.43Å; R1329-E1331 IonicContact NH1-OE2 2.69Å; R1329-E1331 PolarHBondContact NH1-OE2 2.85Å; R1329-E1331 IonicContact NH2-OE1 2.69Å; R1329-E1331 PolarHBondContact NH2-OE1 2.69Å; R1329-E1331 IonicContact NH2-OE2 3.56Å
1332P21.9Very low22.2Very low121 Ų121147 Ų14779%0.78678%0.781SS**  trans-86.6163-160.6-11.430000114.4F1334P1332-F1334 PolarHBondContact O-N 2.75Å
1333K19.9Very low22.2Very low187 Ų187147.8 Ų147.881%0.81379%0.785SS**  trans-33.4132.7159.6-52.2165.9-177.1174.90112.5
1334F20.9Very low22.4Very low214 Ų214145.1 Ų145.194%0.93978%0.783SS**  trans-137.9156.2130-110.7-78.5000110.3P1332P1332-F1334 PolarHBondContact O-N 2.75Å
1335V21.6Very low22.4Very low122 Ų122148.3 Ų148.374%0.73979%0.79SS**  trans-112.4131.1-162177.30000110.7
1336S22.1Very low22.7Very low116 Ų116147.6 Ų147.681%0.81179%0.791SS**  trans-125.3106.6160.758.10000109.5
1337K22.2Very low22.6Very low199 Ų199143 Ų14387%0.86578%0.784SS**  trans-64.5133.6163.8-76.8-177.9174.1-177.90108.6
1338A24Very low22.5Very low94 Ų94148.7 Ų148.778%0.77779%0.79SS**  trans-135.6133.1153.400000107
1339V22.2Very low22.7Very low119 Ų119145.9 Ų145.972%0.72179%0.788SS**  trans-90.9132.5179.9178.40000108.1
1340N27.3Very low22.6Very low145 Ų145143.9 Ų143.978%0.77579%0.791SS**  trans-129.6105.4171.6-87.3-22.2000108.3
1341D21.9Very low22.7Very low148 Ų148143.9 Ų143.979%0.79179%0.789SS**  trans-72132.2165.6-65.5-60.8000109.7
1342V24.9Very low22.6Very low118 Ų118146 Ų14672%0.71580%0.799SS**  trans-127.8101.9174.7-179.10000108.9C1344V1342-C1344 PolarHBondContact O-N 2.71Å
1343I22.9Very low22.6Very low161 Ų161147.2 Ų147.283%0.82680%0.803SS**  trans-78.9112.4174.4-60.9172.7000108.6
1344C23.7Very low22.6Very low103 Ų103143 Ų14370%0.69680%0.797SS**  trans-91.8107.6174.9-71.50000111.3V1342V1342-C1344 PolarHBondContact O-N 2.71Å
1345Q20.8Very low22.7Very low177 Ų177139.8 Ų139.883%0.82780%0.796SS**  trans-74.9130.4159.2-70.3-175.5-32.100109.1
1346V27.7Very low22.5Very low136 Ų136142.5 Ų142.582%0.82480%0.8SS**  trans-107.9116173.5-175.30000108.4
1347G22.2Very low22.5Very low63 Ų63142.5 Ų142.565%0.64980%0.801SS**  trans-74.2145.917900000112.5
1348Q20.7Very low22.5Very low198 Ų198139.5 Ų139.593%0.92580%0.798SS**  trans-65.3139.6164.9-66.4176.4-71.600109.7
1349V22.4Very low22.4Very low137 Ų137143.9 Ų143.983%0.8380%0.803SS**  trans-116.3124.4170.9178.20000107.9
1350N22.4Very low22.2Very low143 Ų143147 Ų14777%0.76580%0.803SS**  trans-69.9142.2177.6-63.9-27.5000110.7
1351H22.9Very low21.9Very low182 Ų182148.5 Ų148.584%0.84380%0.802SS**  trans-149.9121.2144.5-126.8-70.4000111.5
1352E20.1Very low21.9Very low183 Ų183147.7 Ų147.786%0.85580%0.803SS**  trans-80.2140.5171.8-59.4166.4113.200109.9
1353V22.3Very low21.8Very low146 Ų146146.1 Ų146.189%0.88580%0.802SS**  trans-142.5132.7150.5-174.40000107.8
1354S19Very low21.9Very low98 Ų98145.9 Ų145.969%0.68580%0.803SS**  trans-96.2145.2-173.5580000114.1
1355T23.2Very low21.8Very low147 Ų147148.4 Ų148.490%0.90281%0.81SS**  trans-135.6148.3151.540.30000110.1
1356Q18.8Very low22Very low179 Ų179146.7 Ų146.784%0.83681%0.811SS**  trans-123.5126.5-171.1-64.7175.7-67.400112.6
1357S21.5Very low21.7Very low117 Ų117146.1 Ų146.182%0.81881%0.807SS**  trans-173.4100.9159.850.70000106.9
1358V21.2Very low21.6Very low135 Ų135147.8 Ų147.882%0.81881%0.805SS**  68.982.152.8-169.30000112.9
1359E22Very low21.7Very low187 Ų187147.8 Ų147.887%0.87481%0.805SS**  trans-150174.7145.8-145.5156.3-155.100112.1
1360Y19Very low21.6Very low184 Ų184146 Ų14672%0.72280%0.795SS**  trans-93.1151.7-148.2-77.2-95.4000117.5
1361K21.1Very low21.6Very low176 Ų176142.4 Ų142.477%0.76579%0.791SS**  trans48.4133.4142.4-63.8165.5179.4169.10117.8
1362T22.4Very low21.5Very low132 Ų132140.1 Ų140.181%0.8178%0.784SS**  cis-165.216547.9-33.10000111.6
1363A21.7Very low21.5Very low84 Ų84137 Ų13769%0.69478%0.777SS**  trans64.993.1156.600000118.9
1364N25.3Very low21.5Very low156 Ų156137.5 Ų137.583%0.83477%0.77SS**  trans15.8108.6137.2-522.4000118.3
1365D22Very low21.7Very low157 Ų157139.7 Ų139.784%0.8478%0.779SS**  -149.4101.9109-118-14.3000111.3
1366V23.7Very low21.6Very low141 Ų141136.9 Ų136.986%0.85577%0.765SS**  trans-140.591.7169.5177.60000107.3
1367V21.2Very low21.7Very low123 Ų123137.2 Ų137.275%0.74576%0.764SS**  trans175.2127.5171139.40000104.7
1368T19.9Very low21.6Very low98 Ų98137.6 Ų137.660%0.60176%0.761SS**  cis-158.5151.6-3.515.90000109.8T1370T1368-T1370 WeakPolarHBondContact CB-OG1 3.34Å; T1368-T1370 HydrophobicContact CG2-CG2 3.76Å; T1368-T1370 PolarHBondContact OG1-OG1 3.35Å
1369Q23.1Very low21.5Very low198 Ų198136 Ų13693%0.92575%0.752SS**  trans-93.199.9148-169.3-178.436.400108.8
1370T21.4Very low21.5Very low101 Ų101136.2 Ų136.262%0.6275%0.752SS**  trans-142.5134.9176.943.40000110.2T1368T1368-T1370 WeakPolarHBondContact CB-OG1 3.34Å; T1368-T1370 HydrophobicContact CG2-CG2 3.76Å; T1368-T1370 PolarHBondContact OG1-OG1 3.35Å
1371G22.7Very low21.7Very low67 Ų67131.5 Ų131.569%0.69175%0.752SS**  trans92.785.3-163.300000109.7
1372I20.7Very low21.7Very low134 Ų134131.3 Ų131.369%0.68775%0.753SS**  cis65.5106.923.5-60.2178.4000112.7
1373V19.5Very low21.7Very low118 Ų118133.6 Ų133.672%0.71576%0.76SS**  trans39.3115134.3-169.80000115.6
1374H22.5Very low21.8Very low156 Ų156136 Ų13672%0.72276%0.76SS**  -151.8117.271.9-138.2-79.4000113.6S1376H1374-S1376 PolarHBondContact ND1-OG 3.44Å; H1374-S1376 PolarHBondContact O-N 2.96Å
1375T23.6Very low21.7Very low144 Ų144136 Ų13688%0.88375%0.754SS**  trans-79.362.7171.841.30000111.5K1377T1375-K1377 PolarHBondContact O-N 3.25Å
1376S20.4Very low21.8Very low87 Ų87137.3 Ų137.361%0.60876%0.756SS**  trans-70.1117179-610000111.3H1374 V1378H1374-S1376 PolarHBondContact ND1-OG 3.44Å; H1374-S1376 PolarHBondContact O-N 2.96Å; S1376-V1378 PolarHBondContact O-N 3.17Å; S1376-V1378 VanDerWaalsContact O-N 3.12Å
1377K20.2Very low21.5Very low186 Ų186138.6 Ų138.681%0.80975%0.752SS**  trans-72.1100.6175.3-68.2-179179179.90111.2T1375T1375-K1377 PolarHBondContact O-N 3.25Å
1378V19.7Very low21.7Very low126 Ų126138.1 Ų138.176%0.76475%0.752SS**  trans-154.7140.8153123.80000111S1376S1376-V1378 PolarHBondContact O-N 3.17Å; S1376-V1378 VanDerWaalsContact O-N 3.12Å
1379T20.3Very low21.8Very low101 Ų101139.8 Ų139.862%0.6276%0.762SS**  trans-27.4130.4161.636.90000113.2
1380Q20.8Very low21.7Very low191 Ų191141.1 Ų141.189%0.89376%0.76SS**  38.465.553.6-158.4-168.416.200113.6
1381A23.7Very low21.8Very low85 Ų85143.2 Ų143.270%0.70277%0.772SS**  -168.187.3128.800000110.3
1382E21.7Very low21.8Very low172 Ų172148.8 Ų148.880%0.80478%0.777SS**  trans-169.4109.5133.4-109165.8-158.900109.4I1384E1382-I1384 HydrophobicContact CB-CG1 4.23Å; E1382-I1384 PolarHBondContact O-N 2.95Å; E1382-I1384 VanDerWaalsContact O-N 3.07Å
1383L22.1Very low21.9Very low181 Ų181146.5 Ų146.595%0.94878%0.779SS**  trans-76.286.3159.5-175.179.9000105.6Q1385L1383-Q1385 PolarHBondContact O-N 3.28Å
1384I23.9Very low22.2Very low135 Ų135148.9 Ų148.969%0.69279%0.785SS**  trans-58.4114.8174.2-64.9-179.8000106.9E1382 E1386E1382-I1384 HydrophobicContact CB-CG1 4.23Å; E1382-I1384 PolarHBondContact O-N 2.95Å; E1382-I1384 VanDerWaalsContact O-N 3.07Å; I1384-E1386 PolarHBondContact O-N 3.12Å
1385Q23.4Very low22.2Very low154 Ų154149.6 Ų149.672%0.7279%0.789SS**  trans-57118.3172178.1177.111.800108.1L1383 Q1387L1383-Q1385 PolarHBondContact O-N 3.28Å; Q1385-Q1387 PolarHBondContact O-N 3.45Å
1386E22.4Very low22.5Very low185 Ų185149.2 Ų149.286%0.86479%0.787SS**  trans-56.7115165.9-78.5-161.5139.300107.7I1384 P1388I1384-E1386 PolarHBondContact O-N 3.12Å; E1386-P1388 WeakPolarHBondContact O-CD 3.39Å
1387Q19.3Very low22.7Very low168 Ų168152.9 Ų152.979%0.78579%0.794SS**  trans-70.1120.5178-63.3179.81.500107.4Q1385 V1389Q1385-Q1387 PolarHBondContact O-N 3.45Å; Q1387-V1389 PolarHBondContact O-N 2.94Å
1388P24.1Very low23Very low113 Ų113150.8 Ų150.873%0.73479%0.792SS**  trans-61.6109.3168.125.6-32.1000107.7E1386 Y1390E1386-P1388 WeakPolarHBondContact O-CD 3.39Å; P1388-Y1390 PolarHBondContact O-N 2.94Å
1389V22.7Very low23.2Very low134 Ų134150.5 Ų150.581%0.81279%0.79SS**  trans-59.8133.4-172.9174.70000110.1Q1387 V1391Q1387-V1389 PolarHBondContact O-N 2.94Å; V1389-V1391 PolarHBondContact O-N 2.79Å; V1389-V1391 VanDerWaalsContact O-N 3.07Å
1390Y20.4Very low23.6Very low226 Ų226151 Ų15189%0.88680%0.795SS**  trans-54.7111.7179.9-90.6-105.6000112.4P1388P1388-Y1390 PolarHBondContact O-N 2.94Å
1391V23.8Very low23.8Very low144 Ų144150 Ų15087%0.87379%0.794SS**  trans-105.699.9146.1-176.70000108.4V1389V1389-V1391 PolarHBondContact O-N 2.79Å; V1389-V1391 VanDerWaalsContact O-N 3.07Å
1392K22.7Very low23.8Very low185 Ų185151.9 Ų151.980%0.80480%0.797SS**  trans-30.9138.6172.6-162.6175.3-174.5178.90115.2
1393A23.3Very low23.9Very low86 Ų86147.7 Ų147.771%0.71179%0.787SS**  trans-66.8155.817600000113.8
1394I25.5Very low24.1Very low168 Ų168148.4 Ų148.486%0.86278%0.778SS**  trans-128.6145.6151.7-65.7-177.7000106.6
1395E23.2Very low24.1Very low171 Ų171152.1 Ų152.180%0.79978%0.784SS**  trans-102.2134.5-160.5-59.5150.111600113.8
1396T29.6Very low24.2Very low136 Ų136150.9 Ų150.983%0.83478%0.782SS**  trans-145.996.5146.652.10000106.2
1397Q23.4Very low24.3Very low164 Ų164147.5 Ų147.577%0.76677%0.774SS**  68.9126.385.2-77.5-169.5-44.900114.9
1398D26Very low24.7Very low142 Ų142147 Ų14776%0.75978%0.782SS**  trans65.4141.4154.4-55.2-17.3000120
1399V24.8Very low24.8Very low120 Ų120148.5 Ų148.573%0.72778%0.784SS**  cis-157.3151.3-23.4116.20000106.6
1400P28.4Very low24.9Very low111 Ų111146.4 Ų146.472%0.72178%0.78SS**  trans-84146.7-167.332.9-35.7000114.5
1401I25.7Very low25.3Very low170 Ų170146.5 Ų146.587%0.87278%0.781SS**  trans-122.6136.5159.3-63.6-175.8000109.7
1402T23.5Very low25.4Very low124 Ų124148.8 Ų148.876%0.76178%0.782SS**  trans-99.1172.9-17154.70000112.7
1403S24Very low25.5Very low85 Ų85148.4 Ų148.459%0.59478%0.783SS**  trans73149173.1-138.70000114.5
1404Y25.1Very low25.6Very low195 Ų195147.7 Ų147.777%0.76578%0.778SS**  cis-132.4160.34.1-66.3-98.2000107.8
1405R24.2Very low25.6Very low214 Ų214146.8 Ų146.881%0.80877%0.774SS**  cis61.784.23.1-157.5179.8-166.4-174.15.5118.2
1406N25.6Very low25.7Very low127 Ų127146 Ų14668%0.67978%0.775SS**  trans-175108.4143.8-92.4-9.3000110.3
1407T25.3Very low25.4Very low114 Ų114146.1 Ų146.170%0.69977%0.769SS**  63.2100.6111.460.40000116.4
1408V28.3Very low25.3Very low159 Ų159147.7 Ų147.796%0.96477%0.773SS**  trans-91.897.3154.6178.40000107
1409D25.9Very low25.2Very low144 Ų144149 Ų14977%0.7777%0.774SS**  trans-145.7149.4174.9-128.1-31.4000108.5
1410A24.8Very low25.1Very low89 Ų89150 Ų15074%0.73677%0.773SS**  trans50.787.1174.700000118.3
1411Y28.8Very low25.2Very low228 Ų228151.6 Ų151.689%0.89477%0.774SS**  trans-123.881.2151.4-90.9-78.2000111.7
1412Q25.4Very low25.1Very low192 Ų192154.6 Ų154.690%0.89778%0.775SS**  trans-124.788.8153.8-92-166.9-31.900108.4
1413Q24.8Very low25.2Very low177 Ų177158.3 Ų158.383%0.82778%0.78SS**  trans-156.6121.8161.3-168.169.831.200107.4
1414A24.3Very low25.7Very low72 Ų72159.3 Ų159.360%0.59579%0.785SS**  trans-89.2159.717200000110.8
1415D27.3Very low25.7Very low149 Ų149155.3 Ų155.380%0.79779%0.786SS**  trans45.2105.9155.1-53.4-37.1000119.4
1416L23.6Very low25.9Very low155 Ų155149.7 Ų149.781%0.81278%0.779SS**  -162.4117.7109.5-13461.6000115.8
1417I23.9Very low26.1Very low138 Ų138150.2 Ų150.271%0.70878%0.782SS**  trans38.3105.4134.4-53.2176.9000119.3
1418K22.1Very low25.9Very low197 Ų197150.8 Ų150.886%0.85779%0.785SS**  13.7111.5127.8-59.8171.2-179.9171.80117.3
1419H23.5Very low25.6Very low169 Ų169149.4 Ų149.478%0.78278%0.777SS**  trans-142.3142.6147.2-132.8-105.2000111.9
1420M23.1Very low25.4Very low140 Ų140146.9 Ų146.969%0.6977%0.769SS**  trans75.7134.4163.4-53.8-64.4-89.600119.9
1421L29.9Very low25.4Very low145 Ų145151.2 Ų151.276%0.75977%0.774SS**  trans58102.4148.6-58.8165.2000117
1422R24.1Very low25.1Very low234 Ų234147.1 Ų147.188%0.88377%0.772SS**  cis58.296.120-167-162.2-155.1-17810.6114.3
1423K26.3Very low24.9Very low201 Ų201140.6 Ų140.687%0.87476%0.757SS**  -169.9160.4127.1-100-175.2178-172.90111.3
1424P33.7Very low24.9Very low107 Ų107137.8 Ų137.870%0.69576%0.757SS**  trans-139.6-156.9-149.242.8-21.7000114.7
1425S24.5Very low24.9Very low111 Ų111139.9 Ų139.978%0.77676%0.762SS**  trans70.7116.214563.60000121
1426S29.9Very low24.6Very low95 Ų95139.2 Ų139.266%0.66476%0.756SS**  -144.9164.7116.776.40000110.7
1427D28.8Very low24.6Very low138 Ų138139.8 Ų139.874%0.73875%0.754SS**  trans51.2110.9152.5-40-38.8000119.7
1428V21.9Very low24.6Very low127 Ų127137.8 Ų137.877%0.7775%0.753SS**  cis83.311617.6-167.60000115.8
1429V22.1Very low24.7Very low130 Ų130133.7 Ų133.779%0.78875%0.749SS**  trans68.3148.3158164.30000116.8
1430C20.4Very low24.7Very low90 Ų90129.3 Ų129.361%0.60875%0.749SS**  cis-158.7143.9-28.3-1050000111.3
1431Q25.1Very low24.8Very low180 Ų180130.5 Ų130.584%0.84176%0.757SS**  18.2100.4122.3-173-176.431.500118.9
1432V23.5Very low24.3Very low142 Ų142132.6 Ų132.686%0.86176%0.763SS**  trans-147.8136.2148.6-173.10000107.3
1433G21.2Very low24.3Very low55 Ų55128.5 Ų128.557%0.56776%0.757SS**  cis136118.1-5.100000111.9
1434S25Very low24.2Very low118 Ų118126.1 Ų126.183%0.82575%0.754SS**  trans66.9167.3178.9-51.50000113
1435V23.3Very low24.1Very low116 Ų116130.8 Ų130.870%0.70377%0.766SS**  cis-136.5122.823.1167.40000111.5
1436M21.3Very low24Very low136 Ų136129.4 Ų129.467%0.6775%0.754SS**  34.7149.7128.7-43.3-170.7-6200122
1437E22.5Very low23.7Very low166 Ų166132.8 Ų132.878%0.77676%0.759SS**  trans68.6139.7148.5-75.7157.6-147.400117.8
1438S24.3Very low23.2Very low97 Ų97135.3 Ų135.368%0.67876%0.764SS**  cis-165.4-172.82.549.90000110.4
1439S25.3Very low23.3Very low111 Ų111135.9 Ų135.978%0.77677%0.768SS**  trans51.3105160.960.30000118.2
1440G23Very low23.2Very low77 Ų77134 Ų13479%0.79476%0.76SS**  trans-85.5-178.8169.100000113.8
1441I24Very low23.3Very low165 Ų165138.2 Ų138.285%0.84677%0.773SS**  trans-143.3132.7154.3-91.4157.2000105.6
1442Q21.4Very low23.3Very low189 Ų189138 Ų13888%0.88378%0.777SS**  trans-95.5134.7160-73.6-178.4-64.400108.3
1443I23Very low23.5Very low147 Ų147138.2 Ų138.275%0.75477%0.772SS**  trans-172.3133.8146.9-98.6145.8000106.6P1446I1443-P1446 HydrophobicContact CG2-CG 4.37Å
1444D25.2Very low23.6Very low152 Ų152140.2 Ų140.281%0.81378%0.784SS**  trans-64.4149.8177.5-67.9-68.4000112.3P1446D1444-P1446 WeakPolarHBondContact O-CD 3.48Å
1445E29.8Very low23.5Very low204 Ų204137.8 Ų137.895%0.95378%0.778SS**  trans-50.1118.9-172.6-64.1-177.1109.600114.5
1446P23.5Very low23.6Very low82 Ų82139.1 Ų139.153%0.53279%0.786SS.*  trans-126.6138.2170.534.5-15.7000112.6I1443 D1444I1443-P1446 HydrophobicContact CG2-CG 4.37Å; D1444-P1446 WeakPolarHBondContact O-CD 3.48Å
1447H22.8Very low23.7Very low166 Ų166142.2 Ų142.277%0.76980%0.799SS**  trans71.5108.4174.3-45-68.5000114.8
1448K19.4Very low23.7Very low191 Ų191139.6 Ų139.683%0.8380%0.799SS**  45.5104.973.6-57.6178.4178.5178.30112.3
1449T22.5Very low23.5Very low140 Ų140139.2 Ų139.286%0.85980%0.802SS**  trans-171.3135132.4-840000111
1450S21.3Very low24Very low90 Ų90143.1 Ų143.163%0.62981%0.805SS**  trans26.6101.7156.9-1770000119.3
1451M22.4Very low23.7Very low179 Ų179145.4 Ų145.488%0.88280%0.804SS**  -144.159.8121.3-146.6-177.7-60.600112.7L1453M1451-L1453 VanDerWaalsContact C-N 3.35Å; M1451-L1453 HydrophobicContact CG-CB 4.44Å
1452L25Very low24.3Very low175 Ų175142.8 Ų142.892%0.91680%0.797SS**  trans-10164.8161.7-149.3168.4000107.9
1453L28Very low24.3Very low146 Ų146139 Ų13976%0.76479%0.787SS**  trans-103.4112.6-174.1-157.677.6000110M1451M1451-L1453 VanDerWaalsContact C-N 3.35Å; M1451-L1453 HydrophobicContact CG-CB 4.44Å
1454A22.4Very low24.3Very low97 Ų97140.2 Ų140.280%0.80279%0.789SS**  trans-83.2145.1176.300000111.8
1455G22.6Very low24Very low68 Ų68137.3 Ų137.370%0.70178%0.777SS**  trans97.8102154.500000117.1
1456T27Very low23.7Very low143 Ų143136.7 Ų136.788%0.87777%0.771SS**  trans-165.869.3135.411.30000112.4
1457Q22Very low23.8Very low202 Ų202141.4 Ų141.494%0.94479%0.786SS**  trans-103.9111.3134.1-78.1-162.4600107.1
1458S21.9Very low23.8Very low110 Ų110139.9 Ų139.977%0.76978%0.782SS**  trans-14275.5168.7-168.70000109.4
1459A22.1Very low23.8Very low90 Ų90139.7 Ų139.774%0.74478%0.784SS**  trans-133.8112.1159.900000105.2
1460K34.6Very low24.1Very low193 Ų193138.5 Ų138.584%0.83978%0.777SS**SBendcis-140.3159.38.7-59.2169-1721690109.7
1461T17.2Very low24.2Very low125 Ų125141.2 Ų141.277%0.76778%0.784SS**  trans-58.6159.8165.126.10000111.8
1462P35.8Very low24.6Very low110 Ų110140.8 Ų140.871%0.71478%0.782SS**  cis-139.2-167.6-12.128.5-4.2000114.4
1463T21Very low24.7Very low109 Ų109135.6 Ų135.667%0.66977%0.771SS**  trans110106.7137.1-29.50000118.9
1464H23.5Very low24.6Very low173 Ų173138.8 Ų138.880%0.80178%0.779SS**  trans60.9168.4148.9-80.4-130.2000120.1
1465T19.8Very low24.7Very low91 Ų91145.7 Ų145.756%0.55879%0.785SS**  cis177.6123-39.5-85.90000106.3
1466K22.3Very low24.7Very low191 Ų191150.4 Ų150.483%0.8379%0.79SS**  trans61.6118.5173.6-60.2165.2-175.6-1790117.2
1467E27.1Very low24.7Very low181 Ų181150.4 Ų150.485%0.84678%0.78SS**  -156.3113.8107.1-105.2173.5177.600108.8
1468I22.2Very low24.9Very low134 Ų134146.1 Ų146.169%0.68777%0.77SS**  73.595.3104.6-64-178.4000113.5T1470I1468-T1470 PolarHBondContact O-N 3.37Å
1469Q19.6Very low25.1Very low187 Ų187148.6 Ų148.687%0.87477%0.767SS**  trans-49.1118.2155.4171.9-176.2-0.600110.8
1470T28Very low25.1Very low115 Ų115153.2 Ų153.271%0.70677%0.771SS**  trans-114.2121.9167.5-46.90000108.2I1468 M1472I1468-T1470 PolarHBondContact O-N 3.37Å; T1470-M1472 PolarHBondContact O-N 3.21Å
1471D23.1Very low24.6Very low146 Ų146150 Ų15078%0.78177%0.767SS**  trans-83.2112.5-170.4-164.9-3.2000111.2
1472M31.2Very low24.9Very low171 Ų171148.5 Ų148.584%0.84276%0.762SS**  trans-137.861.6-172.4-78.7-75.9-80.400111.9T1470T1470-M1472 PolarHBondContact O-N 3.21Å
1473G26.7Very low24.4Very low66 Ų66151.4 Ų151.468%0.6876%0.763SS**  trans48.2104.4145.600000119.2R1475G1473-R1475 PolarHBondContact O-N 2.68Å
1474F25.8Very low24.5Very low212 Ų212149.6 Ų149.693%0.9376%0.759SS**  trans-59.6117.1165-84-97.4000111.7M1476F1474-M1476 PolarHBondContact O-N 2.96Å; F1474-M1476 VanDerWaalsContact O-N 3.15Å
1475R26.1Very low24.5Very low243 Ų243146.2 Ų146.292%0.91775%0.75SS**  trans-69.5105.9164.4-175.2-175.7-174.1-162.83.3108.8G1473 E1477G1473-R1475 PolarHBondContact O-N 2.68Å; R1475-E1477 PolarHBondContact O-N 3.39Å
1476M22.6Very low24.8Very low166 Ų166147.9 Ų147.982%0.81876%0.756SS**  trans-64.7116.5171.9-69.2-162.5-70.300110.3F1474 P1478F1474-M1476 PolarHBondContact O-N 2.96Å; F1474-M1476 VanDerWaalsContact O-N 3.15Å; M1476-P1478 WeakPolarHBondContact O-CD 3.35Å
1477E26.3Very low24.7Very low143 Ų143145.3 Ų145.367%0.66875%0.751SS**  trans-68.9125.7143.8-70.6-172.1143.300107.3R1475 K1479R1475-E1477 PolarHBondContact O-N 3.39Å; E1477-K1479 HydrophobicContact CB-CG 4.24Å; E1477-K1479 PolarHBondContact O-N 2.65Å; E1477-K1479 WeakPolarHBondContact OE2-CE 3.1Å
1478P25.8Very low24.5Very low113 Ų113141.6 Ų141.673%0.73474%0.741SS**  trans-70.774.8158.132.4-32.7000107.3M1476 F1480M1476-P1478 WeakPolarHBondContact O-CD 3.35Å; P1478-F1480 PolarHBondContact O-N 3.21Å
1479K27Very low24.5Very low161 Ų161141.5 Ų141.570%0.774%0.74SS**  trans-55.3113.1160.1-78.1-171.9178.1179.70105.2E1477 V1481E1477-K1479 HydrophobicContact CB-CG 4.24Å; E1477-K1479 PolarHBondContact O-N 2.65Å; E1477-K1479 WeakPolarHBondContact OE2-CE 3.1Å; K1479-V1481 VanDerWaalsContact C-N 3.28Å; K1479-V1481 PolarHBondContact O-N 3.13Å
1480F22.2Very low24.6Very low187 Ų187135.5 Ų135.582%0.8272%0.718SS**  trans-56104.1171-95.3-105.7000106.4P1478 S1482P1478-F1480 PolarHBondContact O-N 3.21Å; F1480-S1482 PolarHBondContact O-N 2.99Å
1481V23Very low24.4Very low125 Ų125139.2 Ų139.276%0.75873%0.728SS**  trans-63.577.4142.5-177.80000104.2K1479 K1483K1479-V1481 VanDerWaalsContact C-N 3.28Å; K1479-V1481 PolarHBondContact O-N 3.13Å; V1481-K1483 HydrophobicContact CG1-CB 4.28Å; V1481-K1483 PolarHBondContact O-N 3.02Å
1482S24.8Very low24.3Very low95 Ų95135.1 Ų135.166%0.66471%0.708SS**  trans-50.295.214152.70000103.2F1480 A1484F1480-S1482 PolarHBondContact O-N 2.99Å; S1482-A1484 PolarHBondContact O-N 3.29Å
1483K23.7Very low23.9Very low171 Ų171129.4 Ų129.474%0.74369%0.692SS**  trans-63.791.2-178.3-176.6-179.6-178-176.90104V1481 V1485V1481-K1483 HydrophobicContact CG1-CB 4.28Å; V1481-K1483 PolarHBondContact O-N 3.02Å; K1483-V1485 PolarHBondContact O-N 3.15Å
1484A24.7Very low23.5Very low71 Ų71135.1 Ų135.159%0.58770%0.702SS**  trans-54.3102.5164.900000103.4S1482 N1486S1482-A1484 PolarHBondContact O-N 3.29Å; A1484-N1486 PolarHBondContact O-N 2.84Å
1485V22Very low23.3Very low101 Ų101130.9 Ų130.961%0.61269%0.693SS**  trans-68.182.5161.6179.80000102.5K1483 D1487K1483-V1485 PolarHBondContact O-N 3.15Å; V1485-D1487 PolarHBondContact O-N 3.12Å
1486N26.6Very low23.1Very low127 Ų127126.3 Ų126.368%0.67969%0.687SS**  trans-62.284.9157.4-68.6-16.5000103.4A1484 V1488A1484-N1486 PolarHBondContact O-N 2.84Å; N1486-V1488 HydrophobicContact CB-CG2 4.36Å; N1486-V1488 WeakPolarHBondContact O-CG2 3.41Å; N1486-V1488 PolarHBondContact O-N 2.92Å
1487D21.1Very low23Very low137 Ų137126.6 Ų126.673%0.73369%0.686SS**  trans-60.895.1156.9-83.4-34.7000104.6V1485 I1489V1485-D1487 PolarHBondContact O-N 3.12Å; D1487-I1489 PolarHBondContact O-N 3.47Å
1488V22.7Very low22.8Very low102 Ų102128.1 Ų128.162%0.61869%0.693SS**  trans-68.292.4-178.1-173.90000105.8N1486 C1490N1486-V1488 HydrophobicContact CB-CG2 4.36Å; N1486-V1488 WeakPolarHBondContact O-CG2 3.41Å; N1486-V1488 PolarHBondContact O-N 2.92Å; V1488-C1490 HydrophobicContact CG1-CB 4.48Å; V1488-C1490 VanDerWaalsContact CG1-SG 3.52Å; V1488-C1490 PolarHBondContact O-N 3.48Å
1489I21.2Very low22.7Very low132 Ų132128.4 Ų128.468%0.67769%0.692SS**  trans-66.283.5157.5-64.4-177.4000105.4Y1244 D1487Y1244-I1489 WeakPolarHBondContact OH-CA 3.3Å; Y1244-I1489 VanDerWaalsContact OH-CG2 3.28Å; Y1244-I1489 WeakPolarHBondContact OH-CG2 3.14Å; D1487-I1489 PolarHBondContact O-N 3.47Å
1490C21.1Very low22.5Very low62 Ų62125.1 Ų125.142%0.41969%0.69SS.*  trans-60.9163.2167.6-36.90000107.7Y1244 V1488Y1244-C1490 HydrophobicContact CD1-CB 3.7Å; Y1244-C1490 HydrophobicContact CE1-CB 3.38Å; Y1244-C1490 VanDerWaalsContact CE1-N 3.33Å; Y1244-C1490 WeakPolarHBondContact CE1-O 3.35Å; Y1244-C1490 PolarHBondContact OH-N 3.06Å; Y1244-C1490 PolarHBondContact OH-O 3.35Å; V1488-C1490 HydrophobicContact CG1-CB 4.48Å; V1488-C1490 VanDerWaalsContact CG1-SG 3.52Å; V1488-C1490 PolarHBondContact O-N 3.48Å
1491Q23.9Very low22.6Very low193 Ų193122.5 Ų122.590%0.90269%0.689SS**  trans-91.4113.2163.9-71.2167.7-10.700107.8
1492V21Very low22.5Very low59 Ų59125.2 Ų125.236%0.35869%0.694SS.*  trans-80.3116.6161.4178.40000106.7V1243 Y1244 V1245 Q1494V1243-V1492 WeakPolarHBondContact O-CG2 3.33Å; Y1244-V1492 HydrophobicContact CD1-CG2 3.86Å; Y1244-V1492 HydrophobicContact CE1-CG2 3.97Å; V1245-V1492 HydrophobicContact CB-CG1 3.88Å; V1492-Q1494 PolarHBondContact O-N 2.72Å
1493G23.1Very low22.5Very low51 Ų51127.7 Ų127.753%0.52671%0.705SS.*  trans-68.5131.2169.200000110.4
1494Q19.4Very low22.8Very low187 Ų187122.8 Ų122.887%0.87470%0.703SS**  -69.8110.6118.9-65.3-175-6000104.1V1492V1492-Q1494 PolarHBondContact O-N 2.72Å
1495V20.4Very low23Very low123 Ų123127.6 Ų127.675%0.74572%0.717SS**  48.681.567.5-1740000108.4H1497V1495-H1497 PolarHBondContact O-N 2.91Å
1496N21.9Very low23.3Very low147 Ų147127.9 Ų127.979%0.78672%0.721SS**  trans-54.8110.9169.2-62.6-34.2000108.2E1498N1496-E1498 PolarHBondContact O-N 3.13Å
1497H21.3Very low23.1Very low172 Ų172127 Ų12780%0.79672%0.724SS**  trans-83.795.1162.3-149-48000108.1V1495 V1499V1495-H1497 PolarHBondContact O-N 2.91Å; H1497-V1499 PolarHBondContact O-N 2.9Å; H1497-V1499 VanDerWaalsContact O-N 3.1Å
1498E22.2Very low23.1Very low174 Ų174126.5 Ų126.581%0.81373%0.727SS**  trans-63.9110173.8-66.7-178.3114.900110.4N1496N1496-E1498 PolarHBondContact O-N 3.13Å
1499V22.9Very low23.1Very low119 Ų119129.1 Ų129.172%0.72174%0.736SS**  trans-138.893.3148.8-173.70000104.1H1497H1497-V1499 PolarHBondContact O-N 2.9Å; H1497-V1499 VanDerWaalsContact O-N 3.1Å
1500S22.7Very low23.1Very low93 Ų93127.6 Ų127.665%0.6574%0.737SS**  70.714470.2-165.90000112.7
1501T24.5Very low23.1Very low132 Ų132131 Ų13181%0.8176%0.755SS**  trans63.892.1-163.268.40000113.2
1502Q20.7Very low23.4Very low182 Ų182124.9 Ų124.985%0.8574%0.744SS**  cis83.46623.3-157.1-1666.700116.6
1503T26.2Very low24Very low146 Ų146128.7 Ų128.790%0.89677%0.767SS**  trans-152108.9155.345.10000114.3
1504G29.2Very low24.9Very low69 Ų69133.8 Ų133.871%0.71178%0.783SS**  trans52.8102.9137.100000124.1
1505I29.7Very low25.4Very low171 Ų171129.5 Ų129.588%0.87777%0.771SS**  trans77.2147.1131.9-65.8172000117.9
1506P26.7Very low26.3Very low108 Ų108131.4 Ų131.470%0.70177%0.765SS**  trans-115.5-173.1-157.943.2-31.8000115.8
1507S23.3Very low27.3Very low107 Ų107130 Ų13075%0.74876%0.763SS**  trans94.9128.4159.9-560000118.9
1508T22Very low28.4Very low127 Ų127128.7 Ų128.778%0.77976%0.758SS**  trans-151.4145.1148.5-38.90000106.9
1509I22.6Very low28.9Very low158 Ų158124.1 Ų124.181%0.8174%0.741SS**  trans74.5100.7-166.3-44.6162.1000111.4
1510S20Very low29.7Very low100 Ų100123.3 Ų123.370%0.69974%0.739SS**  cis-55.9154.4-7.1-55.70000112.9
1511V20.6Very low30.4Very low132 Ų132123.6 Ų123.680%0.874%0.736SS**  cis72.169.916.2-1660000114
1512G30.1Very low31.2Very low66 Ų66127.6 Ų127.668%0.6874%0.736SS**  trans129.2121.2178.800000110.5
1513V34.6Very low32.3Very low139 Ų139125.7 Ų125.784%0.84273%0.727SS**  cis-149.8128.62.5174.20000109.5
1514D42.1Very low32.8Very low158 Ų158126.3 Ų126.385%0.84572%0.724SS**  trans-168.5162.5136.1-132.429.9000111.8
1515P30.1Very low33.1Very low96 Ų96126.4 Ų126.462%0.62373%0.725SS**  trans-122.1-171.4-165.144.3-34.6000116.1
1516R38.3Very low33.1Very low164 Ų164123.3 Ų123.362%0.61972%0.719SS**  trans-64.5142.8148.7-94.8-173.9170.5-174.5-6.4109.1E1518 V1519 P1520R1516-E1518 VanDerWaalsContact NE-C 3.28Å; R1516-E1518 PolarHBondContact NE-O 3.34Å; R1516-E1518 PolarHBondContact NH2-O 3.32Å; R1516-V1519 VanDerWaalsContact NE-N 3.15Å; R1516-P1520 PolarHBondContact NH2-O 2.91Å
1517P42.8Very low32.9Very low116 Ų116128.3 Ų128.375%0.75373%0.725SS**  -80.3151.450.427-37.1000115
1518E44.3Very low33Very low145 Ų145131.5 Ų131.568%0.67873%0.728SS**  cis-141.5164.2-6.7-109.8-168.1-169.100108.6R1516R1516-E1518 VanDerWaalsContact NE-C 3.28Å; R1516-E1518 PolarHBondContact NE-O 3.34Å; R1516-E1518 PolarHBondContact NH2-O 3.32Å
1519V34Very low33.2Very low78 Ų78131.7 Ų131.747%0.47373%0.729SS.*  57.6125.569-169.10000110.7R1516 V1521R1516-V1519 VanDerWaalsContact NE-N 3.15Å; V1519-V1521 HydrophobicContact CG1-CG2 4.22Å
1520P39.8Very low33.7Very low102 Ų102129.5 Ų129.566%0.66273%0.725SS**  cis-68.3160.713-21.437.4000115.6R1516R1516-P1520 PolarHBondContact NH2-O 2.91Å
1521V37.5Very low33.9Very low99 Ų99130.1 Ų130.160%0.673%0.727SS**  cis65.6104.343.9-1750000110.7V1519V1519-V1521 HydrophobicContact CG1-CG2 4.22Å
1522R39.9Very low34.2Very low216 Ų216130.7 Ų130.782%0.81573%0.725SS**  -142.6133.772.8-76.5-174.5175.4152.83.3111.6
1523H44Very low34.1Very low143 Ų143135.2 Ų135.266%0.66273%0.732SS**  78.313898.1-59.5-10.7000114.4
1524L37.1Very low33.7Very low159 Ų159136.3 Ų136.383%0.83273%0.728SS**  cis-161.7140.5-15-151.382.8000109.6
1525G36.1Very low33.1Very low71 Ų71136.3 Ų136.373%0.73272%0.723SS**  trans71.3170.3162.300000117.4
1526S29.6Very low33Very low106 Ų106136.9 Ų136.974%0.74172%0.717SS**  cis-164.2126.1-14.647.70000112.7
1527Y22.2Very low32.3Very low212 Ų212133.4 Ų133.483%0.83172%0.718SS**  trans63139.9150.1-79.3-113.4000120.2
1528Q26.1Very low31.5Very low175 Ų175138.1 Ų138.182%0.81872%0.721SS**  trans65.6144.3164.9-76.5148.7-72.500116.3
1529V25.3Very low30.5Very low131 Ų131140.1 Ų140.179%0.79473%0.73SS**  cis-127.5161.815.3127.60000112.2
1530P34.4Very low29.8Very low111 Ų111142 Ų14272%0.72174%0.742SS**  trans-92.9178.7-170.9-4.826.5000116.8
1531P24.1Very low29Very low114 Ų114145.4 Ų145.474%0.7475%0.749SS**  trans-117-179.3-174.543.8-33.8000116
1532N25.2Very low28.4Very low143 Ų143144.9 Ų144.977%0.76576%0.755SS**  trans53.7126.9154.8-87.926000122.8
1533I28.6Very low27.8Very low162 Ų162141.2 Ų141.283%0.83175%0.752SS**  trans-120.3159.6141.1-62.7176000105.5
1534E27Very low26.7Very low161 Ų161140.3 Ų140.375%0.75275%0.751SS**  trans71.2154.5-172.9-52.4-177.7177.300115.1
1535Q29.5Very low26.1Very low159 Ų159140.8 Ų140.874%0.74375%0.746SS**  cis-156.9153-35-104.4-121.3-52.900109.1
1536E27.3Very low25.5Very low108 Ų108145.2 Ų145.251%0.50575%0.747SS.*  cis-169.1-179.7-39.5-132.9-135.4-86.400112.4R1538E1536-R1538 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1538 WeakPolarHBondContact OE2-CD 3.44Å; E1536-R1538 IonicContact OE2-CZ 3.41Å; E1536-R1538 IonicContact OE2-NE 3.21Å; E1536-R1538 PolarHBondContact OE2-NE 3.27Å; E1536-R1538 IonicContact OE2-NH1 3.69Å
1537S24.4Very low25.5Very low91 Ų91146 Ų14664%0.63675%0.748SS**  trans65.5142.7145.8-87.90000123.1
1538R24.7Very low25.6Very low215 Ų215142.4 Ų142.481%0.81174%0.743SS**  cis-178.570.3-33.6-112.6168.2-174.6-1783.8110.7E1536E1536-R1538 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1538 WeakPolarHBondContact OE2-CD 3.44Å; E1536-R1538 IonicContact OE2-CZ 3.41Å; E1536-R1538 IonicContact OE2-NE 3.21Å; E1536-R1538 PolarHBondContact OE2-NE 3.27Å; E1536-R1538 IonicContact OE2-NH1 3.69Å
1539Q22.8Very low25.5Very low186 Ų186142.5 Ų142.587%0.86974%0.74SS**  trans-159.1147166.1-113.7178.3-35.300108.5
1540V20.5Very low25.4Very low119 Ų119143.7 Ų143.772%0.72174%0.737SS**  cis-131.2127.412.7178.10000112
1541Q23.7Very low25.1Very low172 Ų172146.3 Ų146.380%0.80474%0.743SS**  trans16.1115.4147.5-176.1-179.3-900121.2
1542A24.2Very low25Very low89 Ų89146.5 Ų146.574%0.73674%0.738SS**  trans-163117.7135.200000111.4
1543D26.1Very low24.9Very low138 Ų138148.8 Ų148.874%0.73875%0.746SS**  33144123.7-67.8-25.3000121.3
1544I22.6Very low24.6Very low125 Ų125149.2 Ų149.264%0.64175%0.745SS**  cis-158.6157.17.4-118.4160.4000110.4
1545K23.5Very low24.4Very low168 Ų168146.7 Ų146.773%0.7374%0.74SS**  trans10.1151.1155.4-45.8165.5-174.5166.90119.2
1546Q24.6Very low24.2Very low164 Ų164148.4 Ų148.477%0.76675%0.748SS**  cis178.215746.3-153.4159.75.300113.2
1547T28.2Very low24Very low123 Ų123146.7 Ų146.776%0.75575%0.753SS**  trans66.8154.5158.724.90000118.7
1548L23.7Very low24.1Very low137 Ų137150.3 Ų150.372%0.71776%0.763SS**  cis-150.2142.56.4-170.868.3000112.4
1549K25.8Very low24Very low177 Ų177144.6 Ų144.677%0.7775%0.752SS**  trans20.1128.6153.9-60.3174.4-175.2-178.20121
1550H21.7Very low23.9Very low156 Ų156145.3 Ų145.372%0.72275%0.747SS**  70.796.367.5-150.8-30.9000113.4D1552H1550-D1552 IonicContact CE1-OD2 2.99Å; H1550-D1552 PolarHBondContact CE1-OD2 3.36Å; H1550-D1552 IonicContact ND1-OD2 2.92Å; H1550-D1552 PolarHBondContact ND1-OD2 3.06Å
1551I28.2Very low24.1Very low165 Ų165146.3 Ų146.385%0.84674%0.744SS**  trans-138.9118.8153.7-65.3-175000107.3
1552D21.7Very low24Very low118 Ų118144.1 Ų144.163%0.63174%0.742SS**  trans-86.3150.9167.9-54.9-101.4000109.6H1550H1550-D1552 IonicContact CE1-OD2 2.99Å; H1550-D1552 PolarHBondContact CE1-OD2 3.36Å; H1550-D1552 IonicContact ND1-OD2 2.92Å; H1550-D1552 PolarHBondContact ND1-OD2 3.06Å
1553M24.8Very low23.9Very low192 Ų192147.1 Ų147.195%0.94675%0.745SS**  trans-142.886.5156.4-145.8172.577.500110.6
1554Q21.9Very low23.7Very low171 Ų171147.2 Ų147.280%0.79974%0.744SS**  trans-82.4152.1169.3-111.5-175.42400110.5
1555T22.5Very low23.5Very low108 Ų108146.5 Ų146.566%0.66375%0.75SS**  trans59.6116.2143.5-50.70000119.6A1557T1555-A1557 HydrophobicContact CG2-CB 4.49Å
1556E24.2Very low23.6Very low194 Ų194145 Ų14591%0.90776%0.755SS**  -176.3131.7125.6-101.3167.7-15800109
1557A24.4Very low23.4Very low72 Ų72145.2 Ų145.260%0.59576%0.762SS**  cis113.651.88.600000116.7T1555 T1559T1555-A1557 HydrophobicContact CG2-CB 4.49Å; A1557-T1559 PolarHBondContact O-OG1 3.43Å
1558I26.1Very low23.3Very low167 Ų167146.8 Ų146.886%0.85677%0.765SS**  trans-128.8122.6159.8-53.5179.6000108
1559T22.6Very low23.1Very low95 Ų95146.3 Ų146.358%0.58377%0.767SS**  cis105.698.113.2-56.50000114A1557A1557-T1559 PolarHBondContact O-OG1 3.43Å
1560R21.3Very low23Very low202 Ų202147.3 Ų147.376%0.76277%0.771SS**  trans70.5160.6151.8-63.8171.7-172-125.311.2117.2
1561E23.7Very low23Very low140 Ų140149.4 Ų149.465%0.65478%0.782SS**  cis-165.2166.6-11.2-110.4155.4-166.200110.2
1562T23Very low22.7Very low125 Ų125151.3 Ų151.377%0.76778%0.784SS**  trans80159.8154.980000123.5
1563L22.1Very low22.7Very low152 Ų152154.3 Ų154.380%0.79679%0.794SS**  trans73.799167.1-64.1158.4000116.4
1564I21.1Very low22.5Very low141 Ų141151 Ų15172%0.72378%0.784SS**  88.6105.959.1-66.8176000114.3
1565S18.7Very low22.6Very low109 Ų109150.4 Ų150.476%0.76278%0.782SS**  trans51.2101.5146.8-55.80000121.8
1566T25.1Very low22.4Very low137 Ų137152.6 Ų152.684%0.8479%0.787SS**  trans-138.7119.1145.218.70000110.9L1568T1566-L1568 PolarHBondContact O-N 2.89Å
1567N20.2Very low22.2Very low168 Ų168152 Ų15290%0.89878%0.782SS**  trans-83.3111.1175.7-73.9-51.8000110.3
1568L26.8Very low22Very low156 Ų156155.9 Ų155.982%0.81779%0.793SS**  trans-143.996170.9-104.6149.6000112.2T1566T1566-L1568 PolarHBondContact O-N 2.89Å
1569V20.4Very low21.6Very low127 Ų127154.6 Ų154.677%0.7779%0.793SS**  trans33102.5148.9-168.40000118.6
1570K22.7Very low21.5Very low198 Ų198156.1 Ų156.186%0.86180%0.802SS**  trans17.6120.7134.4-57.3175.7-179.9176.70118
1571E21.9Very low21.3Very low201 Ų201153 Ų15394%0.93981%0.805SS**  -137.1151.9114.9-146.6155.5-136.900108.8
1572K22Very low21Very low204 Ų204154.3 Ų154.389%0.88781%0.812SS**  trans-93.7123.7-164.6-103.5-164.9172.4-164.40112.6
1573Q21.2Very low20.9Very low182 Ų182158.5 Ų158.585%0.8582%0.82SS**  trans-80.7161.9162.7-163165600110.9
1574V20.8Very low20.7Very low122 Ų122157.5 Ų157.574%0.73982%0.815SS**  trans-104113.1-176.8176.10000110.6
1575E23.8Very low20.6Very low159 Ų159156.9 Ų156.974%0.74381%0.812SS**  trans-155.7110.8160-104159.3-167.400104.5
1576I19.3Very low20.6Very low153 Ų153155.5 Ų155.579%0.78580%0.799SS**  56.987.173.9-53.4173.4000109.9
1577F18.7Very low20.5Very low181 Ų181151.2 Ų151.279%0.79477%0.772SS**  trans-144.3140166.7-107.4-79.2000109.9V1579F1577-V1579 PolarHBondContact O-N 3Å
1578D20.4Very low20.5Very low154 Ų154150.1 Ų150.182%0.82476%0.759SS**  trans-65.2127.6179.4-55.2-85000111.7
1579V18.7Very low20.1Very low140 Ų140149.4 Ų149.485%0.84875%0.752SS**  trans-100.197.7170.7179.40000108.7F1577F1577-V1579 PolarHBondContact O-N 3Å
1580T19.6Very low20.1Very low127 Ų127150.6 Ų150.678%0.77975%0.747SS**  trans-63.8138.6164.3-60.30000109.2Q1582T1580-Q1582 PolarHBondContact O-N 2.95Å
1581T18.2Very low20.2Very low136 Ų136147.5 Ų147.583%0.83474%0.74SS**  trans-68.8115.2-174.546.80000113.1
1582Q17Very low20.2Very low168 Ų168142.9 Ų142.979%0.78573%0.725SS**  trans-154123.7153.8-157.1169.927.800111.8T1580T1580-Q1582 PolarHBondContact O-N 2.95Å
1583F20Very low20.1Very low213 Ų213141.4 Ų141.493%0.93472%0.721SS**  trans-150.5100.7163-103.8-70.1000108.9
1584D18Very low20Very low132 Ų132137.4 Ų137.471%0.70671%0.71SS**  trans-113.1164.4163.4-83.9-57.7000108.8
1585I18.7Very low19.9Very low128 Ų128140.7 Ų140.766%0.65671%0.714SS**  trans-97151.2-165.1-41.5-175.5000112H1664 E1665 V1666I1585-H1664 WeakPolarHBondContact CG2-O 3.08Å; I1585-E1665 CarbonylContact C-O 3.2Å; I1585-E1665 WeakPolarHBondContact CB-O 3.33Å; I1585-E1665 WeakPolarHBondContact CG2-O 3.5Å; I1585-V1666 WeakPolarHBondContact O-CG2 3.38Å
1586V18.8Very low19.7Very low80 Ų80138.8 Ų138.849%0.48571%0.713SS.*  trans-140.9141.7-157.8178.50000117.2H1664 E1665V1586-H1664 CarbonylContact O-C 3.08Å; V1586-E1665 VanDerWaalsContact C-CA 3.46Å; V1586-E1665 PolarHBondContact N-O 2.67Å; V1586-E1665 WeakPolarHBondContact O-CA 3.25Å; V1586-E1665 PolarHBondContact O-N 2.85Å
1587T22.3Very low19.7Very low46 Ų46136.6 Ų136.628%0.28271%0.707SS.*  trans88.7158.8-176.619.40000121.4Q1663 E1665 V1666T1587-Q1663 PolarHBondContact OG1-NE2 3.02Å; T1587-E1665 WeakPolarHBondContact CB-OE1 3.08Å; T1587-E1665 CarbonylContact O-C 3.2Å; T1587-E1665 WeakPolarHBondContact O-CA 3.08Å; T1587-E1665 WeakPolarHBondContact O-CB 3.06Å; T1587-E1665 VanDerWaalsContact O-CD 3.29Å; T1587-E1665 WeakPolarHBondContact O-CG 3.42Å; T1587-V1666 VanDerWaalsContact N-CB 3.26Å; T1587-V1666 WeakPolarHBondContact O-CA 3.27Å; T1587-V1666 WeakPolarHBondContact O-CB 3.26Å; T1587-V1666 WeakPolarHBondContact O-CG1 3.35Å; T1587-V1666 PolarHBondContact O-N 2.7Å
1588K20.4Very low19.7Very low145 Ų145134.5 Ų134.563%0.6371%0.713SS**  trans-139.3154-156.213.967.4179.8179.30119E1665 V1666K1588-E1665 PolarHBondContact N-OE1 2.73Å; K1588-V1666 HydrophobicContact CB-CG1 3.57Å; K1588-V1666 HydrophobicContact CG-CG1 3.55Å
1589E20.1Very low19.7Very low142 Ų142137.9 Ų137.966%0.66471%0.714SS**  trans-109.2111156.3-81-129.8109.600115
1590K20.4Very low19.7Very low151 Ų151136.2 Ų136.266%0.65771%0.709SS**  trans63117.2130.4-69.8-177.9-171.31380124.3
1591D23.1Very low19.8Very low133 Ų133139.1 Ų139.171%0.71171%0.711SS**  99.5110116.9-66.1-10.3000123.3
1592V22Very low19.9Very low104 Ų104140.2 Ų140.263%0.6371%0.707SS**  69.299126.2-175.50000119.3
1593Q20.6Very low20.1Very low174 Ų174139.5 Ų139.581%0.81371%0.714SS**  trans62.6-169.9147.6-56.5173.1-3.100113.1
1594T19.7Very low20.2Very low98 Ų98137.3 Ų137.360%0.60171%0.706SS**  cis-151.2127.2-0.5-260000109.6
1595F18.2Very low20.4Very low191 Ų191135.6 Ų135.684%0.83870%0.701SS**  trans61.7157.3139.7-83.5-128.9000122.9
1596V19.1Very low20.5Very low118 Ų118136.4 Ų136.472%0.71571%0.705SS**  trans79.694.8141.3161.90000119.6
1597T20.3Very low20.6Very low107 Ų107140.2 Ų140.266%0.65672%0.718SS**  77.4104.2120.8-51.70000119.3R1599T1597-R1599 PolarHBondContact O-N 3Å
1598C19.2Very low20.6Very low138 Ų138144 Ų14493%0.93275%0.746SS**  trans-54.9126.5153.8-56.60000110.4
1599R19Very low20.7Very low224 Ų224142.1 Ų142.185%0.84575%0.751SS**  trans-139.4142-174.9-160177.9-169-170.42.3110.4T1597T1597-R1599 PolarHBondContact O-N 3Å
1600S19.7Very low20.9Very low105 Ų105140.8 Ų140.873%0.73476%0.755SS**  trans51.3101.2176.738.70000114.3
1601K20.3Very low20.8Very low189 Ų189142.5 Ų142.582%0.82277%0.765SS**  cis57.1151.235.4-97-169-179.5-1700114.1
1602E20.3Very low20.9Very low159 Ų159142.3 Ų142.374%0.74377%0.774SS**  trans73.286.7171-70.6137.9-124.400118.3
1603T22.9Very low20.7Very low152 Ų152146 Ų14693%0.93379%0.785SS**  -136.5100.7110.7-58.80000109.2
1604Q20.6Very low20.7Very low167 Ų167144.6 Ų144.678%0.7879%0.787SS**  trans-100.5162.7167.1-145.2172.83100104.9
1605T21.9Very low20.7Very low96 Ų96148.7 Ų148.759%0.58980%0.797SS**  cis-168.9-170.834-48.40000108.5
1606I22.4Very low20.7Very low146 Ų146149 Ų14975%0.74980%0.803SS**  trans9097.7164.7-51.1167.9000112.7
1607E19.9Very low20.7Very low159 Ų159153.1 Ų153.174%0.74381%0.806SS**  cis89.914346.1-66.7-173.3153.900114.6
1608S23.1Very low20.8Very low127 Ų127153.2 Ų153.289%0.88881%0.811SS**  trans65.5150.8-178.478.40000115.5
1609S21.2Very low20.8Very low105 Ų105154.5 Ų154.573%0.73480%0.803SS**  cis-158.9150.5-22.41790000107.4
1610P24.4Very low20.9Very low113 Ų113151.3 Ų151.373%0.73480%0.798SS**  trans-76.1-180174.532.9-37.3000113.5
1611E19.6Very low21Very low188 Ų188152.8 Ų152.888%0.87980%0.803SS**  trans92.897.7174.4-58.3-170.6177.600118.2
1612S24.6Very low21Very low129 Ų129152.4 Ų152.490%0.90280%0.802SS**  trans-167.9126.9139.8-80.90000110.2
1613E17.8Very low21.2Very low181 Ų181150.4 Ų150.485%0.84680%0.8SS**  trans-81.3148.9167.8-65.2-172.5100.700110.9
1614V20.5Very low21.1Very low144 Ų144154.5 Ų154.587%0.87380%0.799SS**  179.5146.1114.9148.30000110.1
1615K19.1Very low21.3Very low185 Ų185153.6 Ų153.680%0.80480%0.798SS**  trans-78.9140.5179.9-61.8151.2-1771530111.2
1616M18.8Very low21.3Very low197 Ų197160.3 Ų160.397%0.9781%0.812SS**  -132.3155.6126.9-95-147.8-85.300111.4
1617R19.8Very low21.5Very low204 Ų204157.6 Ų157.677%0.7781%0.806SS**  trans-12084-148.5-172.9-172.6-169.1-175.63.6111
1618S21.3Very low21.8Very low109 Ų109157.5 Ų157.576%0.76280%0.803SS**  trans-90.7134.1167.2-170.40000110.1
1619Q20.1Very low21.9Very low165 Ų165158 Ų15877%0.77180%0.796SS**  trans-93.4108.9-178.1-69.6175.8-32.100109.9
1620Q21.7Very low22Very low158 Ų158162.1 Ų162.174%0.73880%0.797SS**  trans-110.1119.2170.5-72.2-174.7-15.500110.2
1621T21.3Very low22.1Very low135 Ų135164.2 Ų164.283%0.82880%0.802SS**  trans-86.6125.3174.9-580000109.7
1622F20.4Very low22.4Very low182 Ų182159.6 Ų159.680%0.79879%0.786SS**  trans-91.7118.9178.2-75.5-97.9000111.7
1623T22.9Very low22.4Very low116 Ų116160.9 Ų160.971%0.71278%0.778SS**  trans-95106.1167.7-55.30000109.7
1624R22.2Very low22.7Very low238 Ų238157.3 Ų157.390%0.89877%0.769SS**  trans-95.298.9-179.4-171.1179.4-174.71803.8111.2
1625I24.6Very low22.8Very low149 Ų149155.9 Ų155.976%0.76475%0.753SS**  trans-67.2139.1171.7-56.2173.4000109.2
1626R22.4Very low23.1Very low237 Ų237151.8 Ų151.889%0.89475%0.747SS**  trans-133.689.4175.4-169.9-178.6-168.2-178.74109.4
1627S26.3Very low23.3Very low88 Ų88144.4 Ų144.462%0.61572%0.722SS**  trans-66.6150.3172.163.20000110.7N1629S1627-N1629 WeakPolarHBondContact CB-OD1 3.16Å; S1627-N1629 PolarHBondContact OG-OD1 3.41Å
1628K24.9Very low23.7Very low157 Ų157139 Ų13968%0.68371%0.711SS**  trans-112114.9155.6-71.6-179.5178.4174.50105.8Y1630K1628-Y1630 HydrophobicContact CB-CD2 4.29Å; K1628-Y1630 HydrophobicContact CB-CE2 3.69Å; K1628-Y1630 HydrophobicContact CD-CE2 4.25Å
1629N25.3Very low23.7Very low138 Ų138139.6 Ų139.674%0.73871%0.705SS**  trans-85.9133.7177.2-55.66.5000107.3S1627S1627-N1629 WeakPolarHBondContact CB-OD1 3.16Å; S1627-N1629 PolarHBondContact OG-OD1 3.41Å
1630Y25.2Very low23.9Very low192 Ų192137.5 Ų137.575%0.75370%0.699SS**  trans-124.5157.5172.8-71.9-82.2000108.5K1628K1628-Y1630 HydrophobicContact CB-CD2 4.29Å; K1628-Y1630 HydrophobicContact CB-CE2 3.69Å; K1628-Y1630 HydrophobicContact CD-CE2 4.25Å
1631D25.7Very low24.1Very low156 Ų156136 Ų13683%0.83470%0.695SS**  trans-103.8144.9-166-159.75.7000111.1
1632V26.4Very low24.1Very low92 Ų92134.7 Ų134.756%0.55869%0.691SS**  trans-114126.9-167.3-179.80000110.8
1633Q24Very low24Very low155 Ų155133.2 Ų133.272%0.72469%0.687SS**  trans-112.9116.3-168.7-163.4172.547.600113.3
1634T24.3Very low24.2Very low107 Ų107132 Ų13266%0.65669%0.689SS**  trans-85142.4178.451.90000113
1635Q22.1Very low24.1Very low114 Ų114130.2 Ų130.253%0.53369%0.687SS.*EExtended strand (participates in β ladder)trans-135.9142.4169.9-71.4-171.9-8.900112.1Q1711Q1635-Q1711 WeakPolarHBondContact O-CA 3.28Å
1636S25.8Very low24.1Very low98 Ų98130 Ų13069%0.68568%0.684SS**EExtended strand (participates in β ladder)trans-130.3139.2178.9570000110.9F1712S1636-F1712 WeakPolarHBondContact CA-O 3.37Å
1637G23.7Very low24Very low43 Ų43125.7 Ų125.744%0.44368%0.683SS.*  trans-170.5154.2-178.600000114.7F1712 G1713G1637-F1712 PolarHBondContact N-O 3.07Å; G1637-G1713 VanDerWaalsContact O-CA 3.25Å; G1637-G1713 WeakPolarHBondContact O-CA 3.42Å
1638T26.4Very low23.9Very low90 Ų90128.2 Ų128.255%0.55269%0.689SS**  trans-111.2139.6-173.3-55.60000111.4
1639I22.7Very low23.8Very low121 Ų121127.9 Ų127.962%0.62169%0.694SS**  trans-123.5116.6177.3-57.4179.4000109.6I1641I1639-I1641 HydrophobicContact CG2-CD1 4.42Å; I1639-I1641 HydrophobicContact CG2-CG1 4.2Å
1640N23.9Very low23.5Very low121 Ų121128.1 Ų128.165%0.64770%0.696SS**  trans-97.1131.2175.9-75.5-62.5000110.9
1641I24.8Very low23.2Very low127 Ų127128 Ų12865%0.65170%0.695SS**  trans-135.890.9171.8-52.3-179.3000109.4I1639I1639-I1641 HydrophobicContact CG2-CD1 4.42Å; I1639-I1641 HydrophobicContact CG2-CG1 4.2Å
1642S21.7Very low22.9Very low107 Ų107128.5 Ų128.575%0.74869%0.69SS**  trans-97.5128179.7-560000111.4
1643Q19.7Very low22.7Very low152 Ų152129.7 Ų129.771%0.7170%0.699SS**  trans-137.1111.2165.7-75.3-172.6-18.400109.6
1644A25.5Very low22.4Very low91 Ų91128.7 Ų128.775%0.75270%0.704SS**  trans-125.5127.3173.900000108.9
1645F19.7Very low22.2Very low199 Ų199129.5 Ų129.587%0.87371%0.709SS**  trans-97.491.2174.7-72.1-82.4000108.9
1646Q24.7Very low22.2Very low146 Ų146130.8 Ų130.868%0.68272%0.715SS**  trans-115.991.9179.6-171.570.170.500109.9L1648Q1646-L1648 HydrophobicContact CG-CB 3.91Å; Q1646-L1648 PolarHBondContact O-N 3.01Å
1647T21.3Very low22.1Very low145 Ų145134 Ų13489%0.8972%0.717SS**  trans-71.892.4162.819.20000108.7
1648L24.4Very low21.8Very low142 Ų142143.5 Ų143.574%0.74374%0.739SS**  trans-139.1131.5174-167.270.3000109.6Q1646Q1646-L1648 HydrophobicContact CG-CB 3.91Å; Q1646-L1648 PolarHBondContact O-N 3.01Å
1649L21.7Very low21.6Very low149 Ų149144.1 Ų144.178%0.7875%0.747SS**  trans-87.1124.1179.9-70.390.7000111.1
1650D18.8Very low21.5Very low144 Ų144144.8 Ų144.877%0.7776%0.757SS**  trans65.9156.3144.3-70.1-50.8000122.8
1651Y20.7Very low21.3Very low190 Ų190142.4 Ų142.475%0.74576%0.761SS**  trans103.898.1143.3-119.6-115.7000122.5
1652K18.2Very low21.1Very low166 Ų166145.9 Ų145.972%0.72278%0.777SS**  trans83.1142.2143.8-77.3-173.3175.3176.70123
1653P22.3Very low21Very low117 Ų117147.6 Ų147.676%0.7677%0.773SS**  trans-117.9155.8175.841.7-32000115.6
1654T18.6Very low21.2Very low134 Ų134146.8 Ų146.882%0.82277%0.769SS**  trans-162.2135.8161.8-7.40000117
1655T20.4Very low21Very low124 Ų124145.7 Ų145.776%0.76175%0.748SS**  trans69.1133.6144.6300000127.7
1656E22Very low21.5Very low141 Ų141138.7 Ų138.766%0.65972%0.722SS**  108.9131.9128.7-88.3-161.9149.800125.9
1657K23.1Very low21.8Very low166 Ų166136.1 Ų136.172%0.72271%0.713SS**  trans59.8137.3150.8-65.5158.6178.41500120.7
1658R17.8Very low22.1Very low241 Ų241137.1 Ų137.191%0.90971%0.705SS**  cis102.5103.83.8-167.9-171174.8-179.8-0.7118.9
1659S21.1Very low22.3Very low103 Ų103133.8 Ų133.872%0.7271%0.705SS**  trans170.4133153-176.50000107.9
1660T20.4Very low22.6Very low135 Ų135131.8 Ų131.883%0.82870%0.699SS**  cis89.2119.339.257.50000117.7
1661G20.5Very low23.2Very low71 Ų71130.2 Ų130.273%0.73269%0.694SS**  trans146150.4156.100000120
1662M20.4Very low23.4Very low200 Ų200128.9 Ų128.999%0.98570%0.695SS**  trans76.4151.7159.7-53.4-168.6-63.100122.4
1663Q18.9Very low23.8Very low143 Ų143125.6 Ų125.667%0.66869%0.688SS**  trans-167.4144.2172.4171.9-177.9-28.900110.6T1587T1587-Q1663 PolarHBondContact OG1-NE2 3.02Å
1664H25.2Very low23.8Very low136 Ų136125 Ų12563%0.6368%0.683SS**  trans-171.6-172.3164.6-111.9-100.5000107.7I1585 V1586I1585-H1664 WeakPolarHBondContact CG2-O 3.08Å; V1586-H1664 CarbonylContact O-C 3.08Å
1665E21.6Very low23.8Very low67 Ų67128.2 Ų128.231%0.31368%0.681SS.*  -137.9-178.7-71.1-86.7-151.5145.600112.2I1585 V1586 T1587 K1588I1585-E1665 CarbonylContact C-O 3.2Å; I1585-E1665 WeakPolarHBondContact CB-O 3.33Å; I1585-E1665 WeakPolarHBondContact CG2-O 3.5Å; V1586-E1665 VanDerWaalsContact C-CA 3.46Å; V1586-E1665 PolarHBondContact N-O 2.67Å; V1586-E1665 WeakPolarHBondContact O-CA 3.25Å; V1586-E1665 PolarHBondContact O-N 2.85Å; T1587-E1665 WeakPolarHBondContact CB-OE1 3.08Å; T1587-E1665 CarbonylContact O-C 3.2Å; T1587-E1665 WeakPolarHBondContact O-CA 3.08Å; T1587-E1665 WeakPolarHBondContact O-CB 3.06Å; T1587-E1665 VanDerWaalsContact O-CD 3.29Å; T1587-E1665 WeakPolarHBondContact O-CG 3.42Å; K1588-E1665 PolarHBondContact N-OE1 2.73Å
1666V29.6Very low23.8Very low52 Ų52130 Ų13032%0.31568%0.681SS.*  trans-141.6174.1-135.480.30000121.8I1585 T1587 K1588I1585-V1666 WeakPolarHBondContact O-CG2 3.38Å; T1587-V1666 VanDerWaalsContact N-CB 3.26Å; T1587-V1666 WeakPolarHBondContact O-CA 3.27Å; T1587-V1666 WeakPolarHBondContact O-CB 3.26Å; T1587-V1666 WeakPolarHBondContact O-CG1 3.35Å; T1587-V1666 PolarHBondContact O-N 2.7Å; K1588-V1666 HydrophobicContact CB-CG1 3.57Å; K1588-V1666 HydrophobicContact CG-CG1 3.55Å
1667D30.2Very low24Very low93 Ų93130.8 Ų130.850%0.49768%0.684SS.*  trans74.9124.3142.5-85.8-12.9000124.8
1668K29.1Very low23.9Very low165 Ų165128.5 Ų128.572%0.71769%0.687SS**  62.1135120.9-66.8174.9-179.980.70123.3V1670K1668-V1670 HydrophobicContact CB-CG2 3.91Å; K1668-V1670 HydrophobicContact CD-CG2 4.37Å; K1668-V1670 HydrophobicContact CG-CG2 4.05Å
1669G26.8Very low23.8Very low72 Ų72124.9 Ų124.974%0.74268%0.68SS**  trans178.272.5140.100000110.9
1670V29.2Very low23.7Very low108 Ų108127 Ų12766%0.65569%0.689SS**  49.8123.283.3-152.10000110.9K1668K1668-V1670 HydrophobicContact CB-CG2 3.91Å; K1668-V1670 HydrophobicContact CD-CG2 4.37Å; K1668-V1670 HydrophobicContact CG-CG2 4.05Å
1671V30.8Very low23.6Very low111 Ų111128.6 Ų128.667%0.67369%0.687SS**  -165140.568.9167.90000111.4
1672E25.5Very low23.5Very low162 Ų162133.4 Ų133.476%0.75769%0.69SS**  trans10.8177.8131.2-30.8171.1142.300121.5
1673T25.6Very low23.4Very low96 Ų96128.7 Ų128.759%0.58967%0.673SS**  cis-156.9143.213.86.90000112.3
1674T22Very low23.5Very low106 Ų106127.9 Ų127.965%0.6568%0.68SS**  49.7165.3121.5-45.60000123.6
1675Y19.9Very low23.3Very low201 Ų201127.3 Ų127.379%0.78869%0.686SS**  trans84145.3171.3-58.4-84.5000117.7
1676H19.6Very low23.1Very low161 Ų161133.3 Ų133.375%0.74571%0.714SS**  cis-162.7149.5-37.8-134.5-85.5000108.6
1677E26.6Very low22.7Very low157 Ų157137 Ų13773%0.73474%0.737SS**  trans-76.3142.1-179.1-172-174.5170.400113.2
1678P20Very low22.1Very low119 Ų119140.9 Ų140.977%0.77375%0.752SS**  trans-139.115513338.2-26.3000115.3
1679Q17Very low21.6Very low165 Ų165145 Ų14577%0.77176%0.763SS**  trans-75.4166.1175.3-58.2158.4-6.900112.5
1680T18.9Very low21.2Very low146 Ų146145.9 Ų145.990%0.89676%0.764SS**  -175.8166.3124.6-71.20000110.2
1681Q18.5Very low20.8Very low169 Ų169151.5 Ų151.579%0.7977%0.773SS**  trans-102.8-175.6-164.7-167.2169.9-3.100112.4
1682E19.1Very low20.2Very low172 Ų172152.9 Ų152.980%0.80478%0.776SS**  trans75.3148.9167.5-59.6-168.4-156.600117.7
1683T17.7Very low19.9Very low101 Ų101153.8 Ų153.862%0.6278%0.777SS**  cis-157.5141.4-18.1-91.80000108T1685T1683-T1685 PolarHBondContact O-N 2.92Å
1684P19.9Very low19.7Very low126 Ų126155 Ų15582%0.81878%0.78SS**  trans-75.8124.6-174.129.1-35.7000113.8
1685T21Very low19.6Very low125 Ų125158.6 Ų158.677%0.76779%0.789SS**  trans-105.2110.4172.1-56.60000110.6T1683T1683-T1685 PolarHBondContact O-N 2.92Å
1686Q18.1Very low19.7Very low192 Ų192155.6 Ų155.690%0.89778%0.783SS**  trans-77.6131.1162-71.5-175.3-500109.3
1687T21.1Very low19.8Very low129 Ų129152.8 Ų152.879%0.79178%0.777SS**  trans-144.8127.6158.8-66.30000109.3
1688E18.2Very low19.6Very low176 Ų176153.3 Ų153.382%0.82278%0.777SS**  trans-68.3132.2-176178.3-173.7-174.700112.4
1689R18.9Very low19.8Very low250 Ų250153.4 Ų153.494%0.94378%0.775SS**  trans-157.6107.6145.1-119.1171.5-170.9-176.63.3112.8
1690A18Very low20Very low92 Ų92150.8 Ų150.876%0.7678%0.775SS**  trans-74.6133171.700000111.5
1691R19.6Very low20.5Very low226 Ų226150 Ų15085%0.85376%0.764SS**  trans-156.7118.3145.9-116.6-175.5177172.10.4113.8
1692I19.1Very low20.9Very low140 Ų140148.8 Ų148.872%0.71876%0.759SS**  trans52.7101.1142.6-57.5164.5000117.5D1694I1692-D1694 PolarHBondContact O-N 3.27Å
1693K19.4Very low21.3Very low180 Ų180146.4 Ų146.478%0.78375%0.751SS**  trans2.8105.5133.1-58176.6-179.7-178.50116.7
1694D20.2Very low21.7Very low123 Ų123146.5 Ų146.566%0.65874%0.742SS**  trans-118.4105.7134.8-97.7-36.1000106.5I1692 Q1696I1692-D1694 PolarHBondContact O-N 3.27Å; D1694-Q1696 VanDerWaalsContact C-N 3.31Å; D1694-Q1696 PolarHBondContact O-N 3.25Å
1695Q20.8Very low22.2Very low181 Ų181146.4 Ų146.485%0.84674%0.74SS**  trans-80.681.2177.3-78.3-176.3-44.400109.5
1696Q22.3Very low22.5Very low138 Ų138147.7 Ų147.765%0.64574%0.735SS**PPolyproline II helixtrans-79.8117.5171.4-64-178.10.100109.5D1694 F1698D1694-Q1696 VanDerWaalsContact C-N 3.31Å; D1694-Q1696 PolarHBondContact O-N 3.25Å; Q1696-F1698 WeakPolarHBondContact O-CD2 3.28Å; Q1696-F1698 WeakPolarHBondContact O-CE2 3.21Å
1697T20.9Very low23.1Very low101 Ų101144 Ų14462%0.6272%0.721SS**PPolyproline II helixtrans-84.7121.1177.5-470000109.8F1882T1697-F1882 HydrophobicContact CG2-CE1 4.46Å; T1697-F1882 HydrophobicContact CG2-CE2 4.37Å; T1697-F1882 HydrophobicContact CG2-CZ 4.08Å
1698F22.4Very low23.6Very low169 Ų169141.4 Ų141.474%0.74171%0.705SS**PPolyproline II helixtrans-88.5155.4179-65.2-91.8000111.8Q1696Q1696-F1698 WeakPolarHBondContact O-CD2 3.28Å; Q1696-F1698 WeakPolarHBondContact O-CE2 3.21Å
1699T24.5Very low24.1Very low120 Ų120139.4 Ų139.474%0.73670%0.696SS**  trans-131.1119.8169.5-500000109
1700S22.3Very low24.7Very low110 Ų110128.7 Ų128.777%0.76966%0.658SS**  trans-106.1142.5176.9-64.10000110
1701I28.4Very low25.1Very low130 Ų130130.9 Ų130.967%0.66765%0.653SS**  trans-127.5122.3176.2-57.8174.8000107.2
1702E26.8Very low25.4Very low144 Ų144125.2 Ų125.267%0.67363%0.634SS**  trans-97138.4169.4-70.1-163.1128.700110.1
1703L26.6Very low25.8Very low122 Ų122120.6 Ų120.664%0.63962%0.621SS**  trans-111.3127.9173.8-65.3173.5000108.7L1887L1703-L1887 HydrophobicContact CD2-CD1 3.61Å
1704K26.2Very low26.1Very low102 Ų102114.4 Ų114.444%0.44360%0.601SS.*  trans-115.988.3174.3-68.9177.9-177.8170.50108.9F1706 E1886K1704-F1706 HydrophobicContact CB-CE2 4.08Å; K1704-E1886 IonicContact NZ-OE1 2.66Å; K1704-E1886 PolarHBondContact NZ-OE1 2.66Å
1705T31.8Very low26.3Very low124 Ų124113.4 Ų113.476%0.76160%0.595SS**  trans-81.8142166.9-41.30000108.3
1706F27.8Very low26.6Very low152 Ų152109.1 Ų109.167%0.66758%0.577SS**  trans-110.2165.2177.9-73.4-89.6000110.7K1704K1704-F1706 HydrophobicContact CB-CE2 4.08Å
1707D28.9Very low26.9Very low114 Ų114108.6 Ų108.661%0.6157%0.572SS**  trans-82.7140.1-163.3-144-20.3000113
1708V32.3Very low27.1Very low75 Ų75108 Ų10846%0.45557%0.569SS.*  trans-112.895.4-175.9-178.60000110T1710V1708-T1710 PolarHBondContact O-N 3.48Å
1709Q29.4Very low27.2Very low134 Ų134106.1 Ų106.163%0.62656%0.562SS**  trans-81.6104.4-174.2-165.6170.116.700112.4
1710T31.9Very low27.3Very low26 Ų26104.7 Ų104.716%0.1656%0.563CS.*  trans-80.2127.1175.1-70.20000111.1V1708 F1712 Q1787V1708-T1710 PolarHBondContact O-N 3.48Å; T1710-F1712 HydrophobicContact CG2-CD2 3.94Å; T1710-F1712 HydrophobicContact CG2-CE2 3.53Å; T1710-F1712 HydrophobicContact CG2-CZ 4.47Å; T1710-Q1787 PolarHBondContact OG1-NE2 2.9Å
1711Q26.2Very low27.4Very low137 Ų137103.2 Ų103.264%0.6456%0.557SS**EExtended strand (participates in β ladder)trans-136115.2-178.3-166.2176.141.300113.1Q1635Q1635-Q1711 WeakPolarHBondContact O-CA 3.28Å
1712F25.5Very low27.2Very low107 Ų107104.7 Ų104.747%0.46956%0.561SS.*EExtended strand (participates in β ladder)trans-98.9133.1176.1-70.9-92.8000111.6S1636 G1637 T1710S1636-F1712 WeakPolarHBondContact CA-O 3.37Å; G1637-F1712 PolarHBondContact N-O 3.07Å; T1710-F1712 HydrophobicContact CG2-CD2 3.94Å; T1710-F1712 HydrophobicContact CG2-CE2 3.53Å; T1710-F1712 HydrophobicContact CG2-CZ 4.47Å
1713G26.9Very low27.1Very low43 Ų43103.7 Ų103.744%0.44357%0.565SS.*  trans-174163.1177.500000113.6G1637G1637-G1713 VanDerWaalsContact O-CA 3.25Å; G1637-G1713 WeakPolarHBondContact O-CA 3.42Å
1714S26.4Very low27.1Very low51 Ų51103.3 Ų103.336%0.35757%0.57SS.*  trans-124154.6-17760.50000112.9
1715I23.8Very low27.2Very low102 Ų102102.2 Ų102.252%0.52359%0.588SS.*EExtended strand (participates in β ladder)trans-131.8141.4-178.8-56.4176.2000110.1S1790 V1791I1715-S1790 PolarHBondContact N-O 3.43Å; I1715-V1791 HydrophobicContact CB-CG2 4.35Å
1716L26.8Very low26.9Very low90 Ų90105.4 Ų105.447%0.47159%0.594SS.*EExtended strand (participates in β ladder)trans-134.5140.8-176.7-171.573.6000110.8
1717K28.6Very low26.9Very low127 Ų127102.1 Ų102.155%0.55258%0.581SS**  trans-153143.5177.1-167.5177.1179.6-1760112.1
1718T25.1Very low26.8Very low88 Ų88105.3 Ų105.354%0.5459%0.589SS.*  trans-141.5135.2-172.3-44.60000111.6
1719Q24Very low26.6Very low131 Ų131104.6 Ų104.661%0.61259%0.585SS**  trans-151.1150.4176.3-63.6-172.1-67.500112.1S1795Q1719-S1795 WeakPolarHBondContact O-CB 3.39Å; Q1719-S1795 PolarHBondContact O-OG 3.4Å
1720A28Very low26.7Very low90 Ų90101.3 Ų101.374%0.74457%0.574SS**  trans-153.1157.8179.100000112.7
1721A24.6Very low26.6Very low79 Ų79104 Ų10465%0.65359%0.591SS**  trans-160.5164.9177.900000112.4
1722Q22.9Very low26.9Very low160 Ų16099.7 Ų99.775%0.74857%0.57SS**  trans-158.5131.4-169.8-164.4173.545.600114.2
1723T25.8Very low27.4Very low124 Ų12496.7 Ų96.776%0.76156%0.561SS**  trans-166.4157.8178.4-28.80000113.3
1724P26.8Very low27.9Very low114 Ų11499.4 Ų99.474%0.7456%0.557SS**  trans-132.5158.1-169.840.2-24.1000120.7
1725G27Very low28.5Very low79 Ų79100.2 Ų100.281%0.81456%0.558SS**  trans140.313315100000124.4
1726E26Very low29.1Very low191 Ų19199.3 Ų99.389%0.89355%0.552SS**  trans70.5170.6147.9-57.3-164.8145.600127.7
1727Q26.9Very low30.1Very low83 Ų8396.9 Ų96.939%0.38854%0.541SS..  trans-146.90-147.3-45.6172.4-19.800120.9E1802 H1803Q1727-E1802 WeakPolarHBondContact CG-O 3.36Å; Q1727-E1802 VanDerWaalsContact NE2-CG 3.31Å; Q1727-E1802 PolarHBondContact NE2-O 3.1Å; Q1727-H1803 WeakPolarHBondContact CB-O 3.41Å; Q1727-H1803 WeakPolarHBondContact CG-O 3.43Å
1728K27.7Very low30.6Very low180 Ų18094.9 Ų94.978%0.78354%0.535SS*.  0153.70-94.6157.7-175.3169.80120.7
1729T28.2Very low31.4Very low61 Ų6191.5 Ų91.537%0.37451%0.513SS..  trans1780164.230000120P1805 V1806 V1807T1729-P1805 VanDerWaalsContact CB-C 3.49Å; T1729-P1805 VanDerWaalsContact O-CB 3.31Å; T1729-P1805 WeakPolarHBondContact O-CB 3.41Å; T1729-P1805 WeakPolarHBondContact OG1-CA 3.4Å; T1729-P1805 WeakPolarHBondContact OG1-CB 3.45Å; T1729-P1805 VanDerWaalsContact OG1-CD 3.22Å; T1729-P1805 WeakPolarHBondContact OG1-CD 3.43Å; T1729-P1805 PolarHBondContact OG1-O 3.06Å; T1729-V1806 CarbonylContact C-O 3.27Å; T1729-V1806 WeakPolarHBondContact CB-O 3.37Å; T1729-V1806 WeakPolarHBondContact CG2-O 3.46Å; T1729-V1807 HydrophobicContact CG2-CG2 3.72Å
1730V30.9Very low32.2Very low65 Ų6588.2 Ų88.239%0.39450%0.498SS..  000169.70000116.9V1806 K1912V1730-V1806 CarbonylContact C-O 3.29Å; V1730-V1806 WeakPolarHBondContact CA-O 3.4Å; V1730-V1806 HydrophobicContact CG2-CG2 4.46Å; V1730-V1806 PolarHBondContact N-O 2.89Å; V1730-K1912 HydrophobicContact CG2-CB 4.04Å
1731V30.4Very low32.7Very low83 Ų8387.2 Ų87.250%0.50348%0.477SS..  0-169.30171.80000118.6A1808 V1915V1731-A1808 HydrophobicContact CB-CB 3.56Å; V1731-A1808 HydrophobicContact CG1-CB 3.51Å; V1731-V1915 VanDerWaalsContact O-CG2 3.3Å; V1731-V1915 WeakPolarHBondContact O-CG2 3.37Å
1732E32.2Very low33.2Very low46 Ų4688.1 Ų88.122%0.21547%0.467CS..  trans-121171.4-160.4165.7-88.5-161.700120.6R1734 A1808 T1809 K1810E1732-R1734 IonicContact OE1-CZ 3.07Å; E1732-R1734 IonicContact OE1-NE 2.69Å; E1732-R1734 PolarHBondContact OE1-NE 3.19Å; E1732-R1734 VanDerWaalsContact OE1-NE 3.15Å; E1732-R1734 IonicContact OE1-NH2 2.67Å; E1732-R1734 PolarHBondContact OE1-NH2 3.47Å; E1732-A1808 CarbonylContact O-C 3.55Å; E1732-A1808 WeakPolarHBondContact O-CB 3.46Å; E1732-T1809 VanDerWaalsContact O-CA 3.23Å; E1732-T1809 WeakPolarHBondContact O-CA 3.23Å; E1732-T1809 WeakPolarHBondContact O-CG2 3.32Å; E1732-T1809 PolarHBondContact O-N 2.99Å; E1732-K1810 IonicContact OE1-NZ 3.18Å; E1732-K1810 PolarHBondContact OE1-NZ 3.33Å; E1732-K1810 IonicContact OE2-NZ 3.64Å; E1732-K1810 PolarHBondContact OE2-NZ 2.99Å
1733V35.9Very low33.9Very low44 Ų4483.6 Ų83.627%0.26745%0.452SS..  trans-142.7163.1-168.8178.60000117V1915 E1916 V1917V1733-V1915 HydrophobicContact CB-CG1 3.74Å; V1733-V1915 HydrophobicContact CG2-CG1 3.65Å; V1733-E1916 CarbonylContact C-O 3.55Å; V1733-E1916 CarbonylContact O-C 3.55Å; V1733-V1917 HydrophobicContact CB-CG2 4.21Å; V1733-V1917 HydrophobicContact CG1-CG1 4.46Å; V1733-V1917 HydrophobicContact CG1-CG2 4.14Å
1734R37.2Very low34.3Very low99 Ų9979.6 Ų79.637%0.37443%0.429SS..  trans-160.1171.3172.3-69.5-167.8-156.51767.6119.1E1732 K1810 D1811E1732-R1734 IonicContact OE1-CZ 3.07Å; E1732-R1734 IonicContact OE1-NE 2.69Å; E1732-R1734 PolarHBondContact OE1-NE 3.19Å; E1732-R1734 VanDerWaalsContact OE1-NE 3.15Å; E1732-R1734 IonicContact OE1-NH2 2.67Å; E1732-R1734 PolarHBondContact OE1-NH2 3.47Å; R1734-K1810 HydrophobicContact CB-CD 4.23Å; R1734-K1810 HydrophobicContact CB-CG 4.02Å; R1734-K1810 VanDerWaalsContact CG-CE 3.45Å; R1734-K1810 VanDerWaalsContact N-CG 3.33Å; R1734-D1811 WeakPolarHBondContact O-CA 3.31Å; R1734-D1811 PolarHBondContact O-N 3.43Å
1735D39.1Very low34.3Very low68 Ų6879.2 Ų79.236%0.36442%0.417SS..  trans39.5124.9156.8-48.9-8.8000124.9D1811 A1812 R1918D1735-D1811 VanDerWaalsContact O-CA 3.27Å; D1735-D1811 WeakPolarHBondContact O-CA 3.39Å; D1735-A1812 PolarHBondContact O-N 3.44Å; D1735-A1812 VanDerWaalsContact O-N 3.14Å; D1735-R1918 WeakPolarHBondContact CA-O 3.43Å; D1735-R1918 PolarHBondContact N-O 3.44Å; D1735-R1918 WeakPolarHBondContact OD1-CB 3.37Å
1736M36.9Very low34.9Very low84 Ų8477.4 Ų77.441%0.41439%0.391SS..EExtended strand (participates in β ladder)trans-149.6143-177.4-64.3-169.4-74.600118.6A1812 D1919 M1920M1736-A1812 CarbonylContact C-O 3.49Å; M1736-A1812 WeakPolarHBondContact CA-O 3.46Å; M1736-A1812 WeakPolarHBondContact CB-O 3.46Å; M1736-A1812 HydrophobicContact CG-CB 4.04Å; M1736-A1812 VanDerWaalsContact CG-O 3.25Å; M1736-A1812 WeakPolarHBondContact CG-O 3.26Å; M1736-A1812 HydrophobicContact SD-CB 4.04Å; M1736-D1919 PolarHBondContact N-O 2.83Å; M1736-M1920 HydrophobicContact CB-CG 4.01Å; M1736-M1920 HydrophobicContact CB-SD 4.19Å; M1736-M1920 HydrophobicContact CE-SD 3.89Å; M1736-M1920 WeakPolarHBondContact O-CA 3.31Å; M1736-M1920 WeakPolarHBondContact O-CB 3.4Å; M1736-M1920 WeakPolarHBondContact O-CG 3.39Å
1737T47.4Very low35.4Very low38 Ų3870.8 Ų70.823%0.23336%0.361CS..EExtended strand (participates in β ladder)trans-147.5157.6-17574.70000116.8V1055 A1812 S1813 V1814 T1921V1055-T1737 HydrophobicContact CG2-CG2 4.21Å; T1737-A1812 PolarHBondContact N-O 3.29Å; T1737-S1813 CarbonylContact O-C 3.41Å; T1737-S1813 WeakPolarHBondContact O-CA 3.3Å; T1737-S1813 WeakPolarHBondContact O-CB 3.36Å; T1737-S1813 WeakPolarHBondContact OG1-CB 3.42Å; T1737-V1814 PolarHBondContact O-N 3.18Å; T1737-T1921 VanDerWaalsContact CB-OG1 3.3Å; T1737-T1921 WeakPolarHBondContact CB-OG1 3.36Å; T1737-T1921 WeakPolarHBondContact CG2-OG1 3.4Å
1738M38.8Very low35.7Very low86 Ų8669 Ų6942%0.42436%0.356SS..EExtended strand (participates in β ladder)trans-149.5163176.8-63.3-166.6-79.700116.4V1814 T1921 M1922M1738-V1814 WeakPolarHBondContact CA-O 3.48Å; M1738-V1814 WeakPolarHBondContact CB-O 3.37Å; M1738-V1814 HydrophobicContact CG-CB 4.02Å; M1738-V1814 WeakPolarHBondContact CG-O 3.47Å; M1738-V1814 HydrophobicContact SD-CB 4.06Å; M1738-T1921 PolarHBondContact N-O 3.33Å; M1738-M1922 HydrophobicContact CB-CG 3.79Å; M1738-M1922 HydrophobicContact CE-CE 4.48Å; M1738-M1922 HydrophobicContact CE-CG 4.48Å; M1738-M1922 HydrophobicContact CE-SD 4.1Å; M1738-M1922 VanDerWaalsContact O-CA 3.29Å; M1738-M1922 WeakPolarHBondContact O-CA 3.39Å
1739Q42.8Very low36Very low17 Ų1764.6 Ų64.68%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-157.6156.6168.8-147-160.534.500113.6V1055 Y1815 H1816 Q1923V1055-Q1739 WeakPolarHBondContact O-CB 3.42Å; V1055-Q1739 WeakPolarHBondContact O-CG 3.33Å; V1055-Q1739 PolarHBondContact O-NE2 2.74Å; V1055-Q1739 VanDerWaalsContact O-NE2 3.14Å; V1055-Q1739 PolarHBondContact O-OE1 2.65Å; Q1739-Y1815 HydrophobicContact CB-CD1 3.43Å; Q1739-Y1815 VanDerWaalsContact CB-CD1 3.43Å; Q1739-Y1815 HydrophobicContact CB-CE1 3.13Å; Q1739-Y1815 HydrophobicContact CG-CE1 4.3Å; Q1739-H1816 PolarHBondContact O-N 3.45Å; Q1739-Q1923 HydrophobicContact CG-CB 3.49Å; Q1739-Q1923 VanDerWaalsContact CG-CB 3.49Å; Q1739-Q1923 VanDerWaalsContact CG-O 3.28Å; Q1739-Q1923 WeakPolarHBondContact CG-O 3.36Å
1740H41Very low36.3Very low62 Ų6266.3 Ų66.329%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-142.7116.1-177.3-151.2-40.3000115H1816 Q1923 H1924 H1925H1740-H1816 WeakPolarHBondContact CA-O 3.36Å; H1740-H1816 PolarHBondContact CE1-O 2.78Å; H1740-H1816 VanDerWaalsContact CE1-O 3.31Å; H1740-H1816 PolarHBondContact ND1-O 3.22Å; H1740-Q1923 PolarHBondContact N-O 3.1Å; H1740-H1924 VanDerWaalsContact O-CA 3.26Å; H1740-H1924 WeakPolarHBondContact O-CA 3.34Å; H1740-H1924 PolarHBondContact O-ND1 3.38Å; H1740-H1925 PolarHBondContact O-N 3.5Å
1741H38.9Very low36.6Very low69 Ų6965.3 Ų65.332%0.31933%0.331SS..EExtended strand (participates in β ladder)trans-107.7154.8172.3-103.8-108.4000111.6H1816 E1817 H1925H1741-H1816 PolarHBondContact N-O 2.66Å; H1741-E1817 HydrophobicContact CB-CG 4.19Å; H1741-H1925 WeakPolarHBondContact CE1-CB 3.39Å; H1741-H1925 AromaticContact CE1-CD2 3.86Å; H1741-H1925 AromaticContact CE1-CG 3.91Å; H1741-H1925 AromaticContact NE2-CD2 3.63Å; H1741-H1925 AromaticContact NE2-CG 3.97Å
1742K34.4Very low36.9Very low98 Ų9864.3 Ų64.343%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-147.9119.6174.5-152.8152.4-173.8149.40112.5T1818 H1925 K1926K1742-T1818 WeakPolarHBondContact CD-OG1 3.45Å; K1742-T1818 VanDerWaalsContact CE-OG1 3.24Å; K1742-T1818 WeakPolarHBondContact CE-OG1 3.28Å; K1742-T1818 PolarHBondContact NZ-OG1 3.41Å; K1742-T1818 VanDerWaalsContact NZ-OG1 3.14Å; K1742-H1925 PolarHBondContact N-O 2.98Å; K1742-K1926 HydrophobicContact CB-CG 4.17Å
1743S36.9Very low37.4Very low64 Ų6462.9 Ų62.945%0.44832%0.315SS..  trans-107148.9-174.4-164.30000111.3P1820S1743-P1820 WeakPolarHBondContact O-CD 3.45Å; S1743-P1820 WeakPolarHBondContact O-CG 3.37Å
1744P34.8Very low37.5Very low41 Ų4162.9 Ų62.927%0.26632%0.32SS..  trans-110.1175.8-157.345-39.6000115.9S1927 P1928 E1929P1744-S1927 WeakPolarHBondContact CB-O 3.44Å; P1744-S1927 WeakPolarHBondContact CG-O 3.45Å; P1744-P1928 WeakPolarHBondContact CG-O 3.27Å; P1744-E1929 HydrophobicContact CB-CG 3.57Å; P1744-E1929 HydrophobicContact CG-CG 4.13Å
1745E27.5Very low37.5Very low106 Ų10658.7 Ų58.750%0.49531%0.305SS..  trans-94.3161.3-161-63.8-174.7-172.900116.7P1820 E1929E1745-P1820 HydrophobicContact CG-CB 3.55Å; E1745-P1820 HydrophobicContact CG-CG 3.49Å; E1745-P1820 VanDerWaalsContact CG-CG 3.49Å; E1745-P1820 VanDerWaalsContact OE1-CB 3.26Å; E1745-P1820 WeakPolarHBondContact OE1-CB 3.48Å; E1745-E1929 WeakPolarHBondContact CB-OE1 3.32Å; E1745-E1929 PolarHBondContact N-OE1 2.91Å; E1745-E1929 VanDerWaalsContact O-CG 3.25Å; E1745-E1929 WeakPolarHBondContact O-CG 3.21Å
1746P38.9Very low37.7Very low41 Ų4157.6 Ų57.627%0.26630%0.301SS..  trans-122.1147.6-163.21.826.6000115.7Q1822P1746-Q1822 HydrophobicContact CB-CG 3.84Å; P1746-Q1822 VanDerWaalsContact CB-NE2 3.31Å; P1746-Q1822 HydrophobicContact CG-CB 3.78Å; P1746-Q1822 HydrophobicContact CG-CG 3.59Å
1747I36.2Very low37.5Very low52 Ų5255.2 Ų55.227%0.26729%0.288SS..  trans-119.2154.9-150.8-68.3151.1000116.4E1929 P1930 I1931 V1932I1747-E1929 HydrophobicContact CD1-CB 3.75Å; I1747-P1930 VanDerWaalsContact CD1-O 3.23Å; I1747-P1930 WeakPolarHBondContact CD1-O 3.3Å; I1747-I1931 HydrophobicContact CD1-CG1 3.82Å; I1747-I1931 HydrophobicContact CG2-CB 4.49Å; I1747-I1931 HydrophobicContact CG2-CG1 4.33Å; I1747-V1932 HydrophobicContact CG2-CB 4.47Å; I1747-V1932 HydrophobicContact CG2-CG2 3.31Å
1748V34.4Very low37.1Very low46 Ų4654.9 Ų54.928%0.27929%0.287SS..  trans-97.9110.4-156.9165.30000117.1K1750 P1825 V1932V1748-K1750 HydrophobicContact CG1-CG 4.4Å; V1748-P1825 HydrophobicContact CB-CB 4.32Å; V1748-P1825 HydrophobicContact CG1-CB 4.09Å; V1748-P1825 HydrophobicContact CG2-CB 4.34Å; V1748-P1825 HydrophobicContact CG2-CG 4.28Å; V1748-V1932 WeakPolarHBondContact O-CG1 3.46Å; V1748-V1932 WeakPolarHBondContact O-CG2 3.35Å
1749H32.7Very low37.5Very low86 Ų8654 Ų5440%0.39829%0.287SS..  trans-97.798.4-177.4-66.4-165.4000115.1H1933H1749-H1933 WeakPolarHBondContact CA-O 3.41Å; H1749-H1933 HydrophobicContact CB-CB 4.31Å; H1749-H1933 WeakPolarHBondContact CE1-CB 3.24Å; H1749-H1933 AromaticContact CE1-CD2 3.95Å; H1749-H1933 AromaticContact CE1-CG 3.36Å; H1749-H1933 AromaticContact CE1-ND1 3.63Å; H1749-H1933 VanDerWaalsContact CG-CB 3.46Å; H1749-H1933 WeakPolarHBondContact ND1-CB 3.43Å; H1749-H1933 AromaticContact ND1-CG 3.79Å; H1749-H1933 WeakPolarHBondContact NE2-CB 3.32Å; H1749-H1933 AromaticContact NE2-CG 3.74Å; H1749-H1933 AromaticContact NE2-ND1 3.77Å
1750K34.4Very low37.8Very low97 Ų9754 Ų5442%0.42229%0.289SS..EExtended strand (participates in β ladder)trans-78.1140-178.7-61.2-163.6173.8-172.20115.3V1748 K1934 K1935V1748-K1750 HydrophobicContact CG1-CG 4.4Å; K1750-K1934 HydrophobicContact CB-CD 4.33Å; K1750-K1934 HydrophobicContact CB-CG 4.35Å; K1750-K1934 CarbonylContact O-C 3.56Å; K1750-K1934 WeakPolarHBondContact O-CA 3.49Å; K1750-K1934 VanDerWaalsContact O-CB 3.23Å; K1750-K1934 WeakPolarHBondContact O-CB 3.47Å; K1750-K1935 PolarHBondContact O-N 2.81Å; K1750-K1935 VanDerWaalsContact O-N 3.08Å
1751K37.6Very low37.3Very low45 Ų4556.7 Ų56.720%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-119.2158.3168.5-168.7-170.1177.4-139.60111.5K1827 L1828 K1935K1751-K1827 HydrophobicContact CB-CB 4.5Å; K1751-K1827 HydrophobicContact CB-CD 4.31Å; K1751-K1827 HydrophobicContact CB-CG 4.04Å; K1751-L1828 CarbonylContact C-O 3.54Å; K1751-L1828 PolarHBondContact O-N 2.84Å; K1751-K1935 CarbonylContact C-O 3.36Å; K1751-K1935 WeakPolarHBondContact CA-O 3.28Å; K1751-K1935 HydrophobicContact CB-CB 4.43Å; K1751-K1935 HydrophobicContact CD-CB 4.38Å; K1751-K1935 HydrophobicContact CD-CG 4.34Å; K1751-K1935 HydrophobicContact CG-CB 3.87Å; K1751-K1935 HydrophobicContact CG-CG 4.2Å; K1751-K1935 WeakPolarHBondContact CG-O 3.39Å
1752L36.2Very low37.3Very low61 Ų6157.4 Ų57.432%0.31931%0.31SS..EExtended strand (participates in β ladder)trans-141156.9178.4-85.3168.6000114L1828 K1935 L1936 Q1937L1752-L1828 VanDerWaalsContact CA-O 3.3Å; L1752-L1828 WeakPolarHBondContact CA-O 3.33Å; L1752-L1828 HydrophobicContact CD2-CB 3.82Å; L1752-K1935 PolarHBondContact N-O 3.3Å; L1752-L1936 HydrophobicContact CB-CD2 3.4Å; L1752-L1936 HydrophobicContact CB-CG 4.01Å; L1752-L1936 HydrophobicContact CD1-CD2 4.3Å; L1752-L1936 CarbonylContact O-C 3.15Å; L1752-L1936 VanDerWaalsContact O-C 3.28Å; L1752-L1936 WeakPolarHBondContact O-CA 3.49Å; L1752-Q1937 PolarHBondContact O-N 3.16Å
1753Q43.2Very low37Very low16 Ų1656.2 Ų56.28%0.07531%0.311CS..  trans-165.6164.6179.2179.2162.6-7.400113.5Q1829 A1830 Q1937Q1753-Q1829 HydrophobicContact CB-CG 3.68Å; Q1753-Q1829 HydrophobicContact CG-CG 4.32Å; Q1753-A1830 CarbonylContact C-O 3.37Å; Q1753-A1830 WeakPolarHBondContact O-CA 3.14Å; Q1753-A1830 WeakPolarHBondContact O-CB 3.45Å; Q1753-A1830 PolarHBondContact O-N 3.03Å; Q1753-A1830 VanDerWaalsContact O-O 3.11Å; Q1753-Q1937 VanDerWaalsContact CA-O 3.28Å; Q1753-Q1937 WeakPolarHBondContact CA-O 3.39Å; Q1753-Q1937 HydrophobicContact CB-CB 3.99Å; Q1753-Q1937 VanDerWaalsContact CD-CB 3.45Å; Q1753-Q1937 VanDerWaalsContact CD-CG 3.4Å; Q1753-Q1937 HydrophobicContact CG-CB 3.79Å; Q1753-Q1937 HydrophobicContact CG-CG 4.09Å; Q1753-Q1937 VanDerWaalsContact OE1-CB 3.26Å; Q1753-Q1937 VanDerWaalsContact OE1-CD 3.27Å
1754A38.1Very low36.7Very low44 Ų4458.1 Ų58.136%0.36431%0.313SS..  trans-147.9151-171.400000116.3A1830 A1938 I1939A1754-A1830 WeakPolarHBondContact CA-O 3.47Å; A1754-A1830 PolarHBondContact N-O 2.93Å; A1754-A1938 CarbonylContact O-C 3.51Å; A1754-A1938 WeakPolarHBondContact O-CA 3.36Å; A1754-I1939 PolarHBondContact O-N 3.18Å; A1754-I1939 VanDerWaalsContact O-O 3.08Å
1755I37.9Very low36.4Very low11 Ų1160 Ų606%0.05632%0.324CS..  trans-151.9176.5-165.9-57.2-167.3000116.6I1831 V1832 I1939 Q1941I1755-I1831 HydrophobicContact CB-CB 3.95Å; I1755-I1831 HydrophobicContact CB-CD1 4.32Å; I1755-I1831 HydrophobicContact CB-CG1 3.76Å; I1755-I1831 HydrophobicContact CB-CG2 3.76Å; I1755-I1831 HydrophobicContact CD1-CD1 3.78Å; I1755-I1831 HydrophobicContact CD1-CG1 3.85Å; I1755-I1831 HydrophobicContact CG1-CD1 4.38Å; I1755-I1831 HydrophobicContact CG1-CG1 3.93Å; I1755-I1831 HydrophobicContact CG2-CB 4.47Å; I1755-I1831 HydrophobicContact CG2-CD1 4.44Å; I1755-I1831 HydrophobicContact CG2-CG1 4.35Å; I1755-I1831 HydrophobicContact CG2-CG2 3.79Å; I1755-V1832 CarbonylContact C-O 3.59Å; I1755-V1832 VanDerWaalsContact C-O 3.23Å; I1755-V1832 CarbonylContact O-C 3.58Å; I1755-V1832 WeakPolarHBondContact O-CA 3.38Å; I1755-V1832 WeakPolarHBondContact O-CB 3.4Å; I1755-V1832 PolarHBondContact O-N 3.17Å; I1755-I1939 WeakPolarHBondContact CA-O 3.22Å; I1755-I1939 HydrophobicContact CD1-CB 4.01Å; I1755-I1939 HydrophobicContact CD1-CD1 3.51Å; I1755-I1939 HydrophobicContact CD1-CG1 3.67Å; I1755-I1939 HydrophobicContact CG1-CB 3.82Å; I1755-I1939 HydrophobicContact CG1-CD1 4.22Å; I1755-I1939 HydrophobicContact CG1-CG1 3.79Å; I1755-Q1941 HydrophobicContact CG2-CG 4.01Å
1756V42.5Very low36.5Very low46 Ų4661.4 Ų61.428%0.27933%0.33SS..  trans-160.6116.1-167.4176.90000121.4V1832 V1833 V1940 Q1941V1756-V1832 WeakPolarHBondContact CA-O 3.1Å; V1756-V1832 PolarHBondContact N-O 3.48Å; V1756-V1832 VanDerWaalsContact N-O 3.13Å; V1756-V1833 HydrophobicContact CB-CB 4.13Å; V1756-V1833 HydrophobicContact CB-CG2 4.08Å; V1756-V1833 HydrophobicContact CG1-CB 3.77Å; V1756-V1833 HydrophobicContact CG1-CG1 4.05Å; V1756-V1833 HydrophobicContact CG1-CG2 3.79Å; V1756-V1833 HydrophobicContact CG2-CG2 3.95Å; V1756-V1940 HydrophobicContact CB-CB 4.2Å; V1756-V1940 HydrophobicContact CB-CG1 3.8Å; V1756-V1940 HydrophobicContact CB-CG2 4.49Å; V1756-V1940 HydrophobicContact CG1-CG1 4.06Å; V1756-V1940 HydrophobicContact CG2-CB 4.25Å; V1756-V1940 HydrophobicContact CG2-CG1 4.04Å; V1756-V1940 HydrophobicContact CG2-CG2 3.99Å; V1756-Q1941 CarbonylContact O-C 3.51Å; V1756-Q1941 WeakPolarHBondContact O-CA 3.1Å; V1756-Q1941 WeakPolarHBondContact O-CB 3.36Å; V1756-Q1941 WeakPolarHBondContact O-CG 3.12Å; V1756-Q1941 PolarHBondContact O-N 3.42Å; V1756-Q1941 VanDerWaalsContact O-O 3.06Å; V1756-Q1941 PolarHBondContact O-OE1 3.47Å
1757Q32.7Very low36Very low33 Ų3363.2 Ų63.215%0.15434%0.341CS..  trans-138.2178.7174.775.764-85.800124.5V1833 R1834 P1835 Q1941Q1757-V1833 PolarHBondContact N-O 3.33Å; Q1757-V1833 CarbonylContact O-C 3.32Å; Q1757-V1833 WeakPolarHBondContact O-CG1 3.26Å; Q1757-R1834 PolarHBondContact O-N 2.96Å; Q1757-R1834 PolarHBondContact OE1-O 3.42Å; Q1757-P1835 PolarHBondContact NE2-O 3.12Å; Q1757-P1835 WeakPolarHBondContact O-CD 3.46Å; Q1757-P1835 VanDerWaalsContact OE1-CD 3.3Å; Q1757-Q1941 HydrophobicContact CB-CB 3.96Å; Q1757-Q1941 HydrophobicContact CB-CG 4.5Å
1758P39.9Very low35.9Very low32 Ų3267 Ų6721%0.20836%0.359CS..  trans-134.40-174.67.621.8000122.6P1835 P1942 P1943 T1944P1758-P1835 CarbonylContact C-O 3.27Å; P1758-P1835 VanDerWaalsContact C-O 3.25Å; P1758-P1835 VanDerWaalsContact CA-CD 3.47Å; P1758-P1942 WeakPolarHBondContact CD-O 3.4Å; P1758-P1943 HydrophobicContact CB-CB 3.92Å; P1758-P1943 HydrophobicContact CG-CB 3.99Å; P1758-T1944 PolarHBondContact O-OG1 2.98Å
1759P47.3Very low35.8Very low66 Ų6668.5 Ų68.543%0.42937%0.368SS..  0-178042.2-43.1000126P1835 L1836 T1944P1759-P1835 HydrophobicContact CB-CG 4.23Å; P1759-L1836 HydrophobicContact CB-CB 4.49Å; P1759-L1836 HydrophobicContact CB-CD1 3.21Å; P1759-L1836 HydrophobicContact CB-CD2 4.27Å; P1759-L1836 HydrophobicContact CB-CG 4.12Å; P1759-T1944 CarbonylContact O-C 3.08Å; P1759-T1944 VanDerWaalsContact O-CA 3.28Å; P1759-T1944 WeakPolarHBondContact O-CA 3.26Å; P1759-T1944 VanDerWaalsContact O-CB 3.23Å; P1759-T1944 WeakPolarHBondContact O-CB 3.47Å; P1759-T1944 PolarHBondContact O-N 3.41Å
1760T47.6Very low35.9Very low19 Ų1971.4 Ų71.412%0.11738%0.382CS..  trans-1460-163.2-96.70000119.9L1836 E1837 T1944 I1945 N1946T1760-L1836 VanDerWaalsContact C-CD2 3.45Å; T1760-L1836 VanDerWaalsContact CA-CD2 3.47Å; T1760-L1836 VanDerWaalsContact CB-CB 3.5Å; T1760-L1836 HydrophobicContact CG2-CB 4.04Å; T1760-L1836 HydrophobicContact CG2-CD2 3.8Å; T1760-L1836 HydrophobicContact CG2-CG 4.47Å; T1760-L1836 WeakPolarHBondContact O-CD2 3.19Å; T1760-E1837 WeakPolarHBondContact CG2-OE2 3.17Å; T1760-T1944 VanDerWaalsContact OG1-CG2 3.25Å; T1760-T1944 WeakPolarHBondContact OG1-CG2 3.29Å; T1760-I1945 WeakPolarHBondContact OG1-CA 3.26Å; T1760-I1945 PolarHBondContact OG1-N 2.8Å; T1760-I1945 PolarHBondContact OG1-O 3.16Å; T1760-N1946 HydrophobicContact CG2-CB 3.41Å; T1760-N1946 VanDerWaalsContact CG2-CB 3.41Å; T1760-N1946 WeakPolarHBondContact CG2-OD1 3.19Å; T1760-N1946 PolarHBondContact OG1-OD1 3.48Å
1761I32Very low36.1Very low118 Ų11873.9 Ų73.961%0.60539%0.389SS*.  0166.5028.4168.7000120.7I1945 N1946I1761-I1945 HydrophobicContact CD1-CG2 4.46Å; I1761-I1945 HydrophobicContact CG1-CG2 4.16Å; I1761-N1946 CarbonylContact O-C 3.25Å; I1761-N1946 WeakPolarHBondContact O-CA 3.48Å; I1761-N1946 WeakPolarHBondContact O-CB 3.36Å
1762N38.3Very low35.9Very low84 Ų8475.9 Ų75.945%0.44941%0.406SS..  trans-131.7-177.3-153.2-73.292.8000124.3E1948 E2024N1762-E1948 WeakPolarHBondContact CB-OE1 3.49Å; N1762-E1948 PolarHBondContact ND2-OE1 3.11Å; N1762-E2024 PolarHBondContact ND2-OE1 3.42Å
1763T26.9Very low35.7Very low72 Ų7278.6 Ų78.644%0.44243%0.427SS..  trans-162.3-163.6-170.6-72.20000119.8E1948T1763-E1948 HydrophobicContact CG2-CB 3.97Å; T1763-E1948 VanDerWaalsContact N-CD 3.33Å; T1763-E1948 PolarHBondContact N-OE1 3.12Å
1764E30.8Very low35.4Very low104 Ų10482.1 Ų82.149%0.48645%0.452SS..  trans-155.20-167.8-54.7177.4-6800119.3H896 T897H896-E1764 IonicContact CE1-OE2 3.22Å; H896-E1764 IonicContact CG-OE2 2.99Å; H896-E1764 IonicContact ND1-OE2 2.7Å; H896-E1764 PolarHBondContact ND1-OE2 2.99Å; T897-E1764 WeakPolarHBondContact CG2-OE1 3.45Å
1765T28.7Very low35.3Very low81 Ų8184.8 Ų84.850%0.49746%0.463SS..  000-81.10000118.2Q1950T1765-Q1950 VanDerWaalsContact CB-N 3.32Å; T1765-Q1950 HydrophobicContact CG2-CB 3.93Å; T1765-Q1950 VanDerWaalsContact CG2-N 3.31Å; T1765-Q1950 WeakPolarHBondContact O-CB 3.49Å; T1765-Q1950 PolarHBondContact O-NE2 2.97Å; T1765-Q1950 PolarHBondContact O-OE1 3.29Å
1766Q30.4Very low35.3Very low135 Ų13590.6 Ų90.663%0.63149%0.493SS*.  000-167.4144.797.500122.9Q1950Q1766-Q1950 VanDerWaalsContact CA-OE1 3.28Å; Q1766-Q1950 VanDerWaalsContact CG-OE1 3.27Å
1767T27.5Very low35Very low79 Ų7993.2 Ų93.249%0.48551%0.505SS..  000-35.30000119.5T1951 M1952T1767-T1951 WeakPolarHBondContact OG1-CA 3.14Å; T1767-T1951 PolarHBondContact OG1-OG1 2.91Å; T1767-M1952 WeakPolarHBondContact O-CB 3.4Å
1768M34.1Very low35.2Very low131 Ų13194.3 Ų94.365%0.64552%0.515SS*.  000-146.5-158.784.300122M1952M1768-M1952 CarbonylContact C-O 3.07Å; M1768-M1952 WeakPolarHBondContact CA-O 3.34Å; M1768-M1952 HydrophobicContact CB-CE 4.47Å; M1768-M1952 HydrophobicContact CB-SD 4.3Å; M1768-M1952 HydrophobicContact CG-CE 3.69Å; M1768-M1952 HydrophobicContact CG-SD 3.82Å
1769V32.2Very low35Very low79 Ų7995.3 Ų95.348%0.47952%0.522SS..  000-1450000119.7M1952 V1953 E1954V1769-M1952 WeakPolarHBondContact CG2-O 3.33Å; V1769-V1953 HydrophobicContact CB-CB 4.5Å; V1769-V1953 HydrophobicContact CB-CG1 4.15Å; V1769-V1953 HydrophobicContact CG2-CB 4.08Å; V1769-V1953 HydrophobicContact CG2-CG1 4.07Å; V1769-V1953 HydrophobicContact CG2-CG2 3.83Å; V1769-E1954 WeakPolarHBondContact O-CB 3.21Å
1770E35.5Very low34.5Very low146 Ų14697.4 Ų97.468%0.68252%0.524SS*.  000-142.6-134.267.200123.1
1771R38.3Very low34Very low149 Ų149100.3 Ų100.356%0.56254%0.541SS*.  0158.10179-171.4-58.4-157.22.4126.2E1954 R1955R1771-E1954 IonicContact CZ-OE1 3.56Å; R1771-E1954 VanDerWaalsContact CZ-OE1 3.23Å; R1771-E1954 IonicContact NE-OE1 3.47Å; R1771-E1954 PolarHBondContact NE-OE1 3.37Å; R1771-E1954 IonicContact NH2-OE1 2.65Å; R1771-E1954 PolarHBondContact NH2-OE1 2.68Å; R1771-R1955 WeakPolarHBondContact CG-O 3.35Å; R1771-R1955 PolarHBondContact NE-O 2.81Å
1772P33.8Very low34.2Very low88 Ų8897.9 Ų97.957%0.57153%0.527SS*.  trans-130.9-179.3167.142.6-27.5000120.8
1773P32.9Very low33.9Very low117 Ų11799.4 Ų99.476%0.7654%0.535SS*.  trans-103.7175.5-166.740.3-37.5000121.4
1774P36.2Very low34.3Very low90 Ų9099.4 Ų99.458%0.58454%0.535SS*.  trans-109.4172.8-162.114.37.9000120.4P1957P1774-P1957 HydrophobicContact CB-CB 3.88Å; P1774-P1957 HydrophobicContact CB-CG 3.73Å; P1774-P1957 HydrophobicContact CG-CB 3.86Å; P1774-P1957 HydrophobicContact CG-CG 3.87Å
1775V35.8Very low34.4Very low101 Ų101101.3 Ų101.361%0.61254%0.543SS*.  trans-143.2151.3-176-178.90000114
1776I38.1Very low34.7Very low132 Ų132100.8 Ų100.868%0.67754%0.54SS*.  trans-129.6145.8177.7-60.1174.4000111.1I1885I1776-I1885 HydrophobicContact CG2-CD1 4.38Å
1777L36.5Very low34.4Very low102 Ų10297.3 Ų97.353%0.53452%0.524SS..  trans-130.2140-179.6-67.7174.2000113.9
1778P35.8Very low34.5Very low56 Ų5697.5 Ų97.536%0.36453%0.529SS..  trans-87.3161-173.433.2-35.9000115.9I1885 L1887P1778-I1885 HydrophobicContact CB-CG2 3.93Å; P1778-I1885 HydrophobicContact CG-CG2 4Å; P1778-L1887 HydrophobicContact CB-CD2 3.95Å; P1778-L1887 HydrophobicContact CB-CG 4.38Å
1779P37.1Very low34.2Very low53 Ų5392.9 Ų92.934%0.34452%0.515SS..  trans-56.7156.1174.5-25.230.5000116.7L1887 P1962P1779-L1887 HydrophobicContact CB-CD2 4.21Å; P1779-L1887 WeakPolarHBondContact O-CD2 3.27Å; P1779-P1962 VanDerWaalsContact CA-CG 3.45Å; P1779-P1962 HydrophobicContact CB-CB 4.04Å; P1779-P1962 HydrophobicContact CB-CG 4.1Å; P1779-P1962 HydrophobicContact CG-CB 3.71Å; P1779-P1962 HydrophobicContact CG-CG 3.99Å
1780K36.3Very low33.9Very low110 Ų11092 Ų9248%0.47851%0.512SS..  trans-136.3109.5160.8-71.1-165.9175.9-168.60109.6F1782K1780-F1782 HydrophobicContact CB-CE2 3.86Å; K1780-F1782 HydrophobicContact CB-CZ 4.25Å; K1780-F1782 HydrophobicContact CD-CZ 4.19Å
1781V37.4Very low33.4Very low79 Ų7987.8 Ų87.848%0.47950%0.496SS..  trans-91.1151.5168.2-175.70000108.1
1782F36Very low33.1Very low68 Ų6883.1 Ų83.130%0.29848%0.484SS..  trans-139.9104.3173-63.2-87.7000107.7K1780 F1890K1780-F1782 HydrophobicContact CB-CE2 3.86Å; K1780-F1782 HydrophobicContact CB-CZ 4.25Å; K1780-F1782 HydrophobicContact CD-CZ 4.19Å; F1782-F1890 HydrophobicContact CE1-CB 4.45Å
1783D32Very low32.7Very low116 Ų11681.4 Ų81.462%0.6247%0.472SS*.  trans-80135.4165.4-75.3-60.6000108.6
1784V35.1Very low32.4Very low72 Ų7278.9 Ų78.944%0.43645%0.452SS..  trans-127.772.8178.6-172.70000108.3T1786V1784-T1786 PolarHBondContact O-N 3.38Å
1785Q32.3Very low32Very low143 Ų14376.1 Ų76.167%0.66844%0.435SS*.  trans-86.8102.1-173.8-164.8177.76900110.9
1786T34.9Very low31.5Very low70 Ų7077.3 Ų77.343%0.42943%0.434SS..  trans-75.5125.4178.352.30000111.7V1784V1784-T1786 PolarHBondContact O-N 3.38Å
1787Q25.5Very low31Very low63 Ų6373.9 Ų73.929%0.29442%0.419SS..EExtended strand (participates in β ladder)trans-115.8149.9179-63.2-172.9-7.600112T1710T1710-Q1787 PolarHBondContact OG1-NE2 2.9Å
1788S27.9Very low30.5Very low83 Ų8375.6 Ų75.658%0.5842%0.424SS*.EExtended strand (participates in β ladder)trans-106.1139.9-163.258.30000114.9
1789G28.2Very low30Very low34 Ų3475 Ų7535%0.35142%0.419SS..  trans-154.5164.4169.700000112.7F1896 G1897G1789-F1896 PolarHBondContact N-O 3.23Å; G1789-G1897 WeakPolarHBondContact O-CA 3.41Å
1790S27.3Very low29.4Very low60 Ų6077.6 Ų77.642%0.4244%0.437SS..  trans-116.7146-173.358.40000114I1715I1715-S1790 PolarHBondContact N-O 3.43Å
1791V24.3Very low28.7Very low58 Ų5877 Ų7735%0.35244%0.435SS..EExtended strand (participates in β ladder)trans-142.1100.2-178.7-174.10000112.1I1715 V1793 S1898I1715-V1791 HydrophobicContact CB-CG2 4.35Å; V1791-V1793 HydrophobicContact CG1-CG2 4.32Å; V1791-S1898 CarbonylContact C-O 3.44Å
1792T31.2Very low27.9Very low51 Ų5179.6 Ų79.631%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-93.8135.9179.7-61.80000111.9L1900T1792-L1900 HydrophobicContact CG2-CB 4.31Å; T1792-L1900 HydrophobicContact CG2-CD2 4.28Å
1793V26.2Very low27.3Very low51 Ų5181.3 Ų81.331%0.30945%0.451SS..  trans-144100.2-178.5-176.50000111.5V1791 L1900V1791-V1793 HydrophobicContact CG1-CG2 4.32Å; V1793-L1900 CarbonylContact C-O 3.18Å; V1793-L1900 PolarHBondContact N-O 3.24Å
1794N25.7Very low26.9Very low64 Ų6482.3 Ų82.334%0.34245%0.446SS..  trans-94.8136.7177.9-66.40.2000111.6
1795S27.4Very low26.5Very low33 Ų3379.2 Ų79.223%0.23143%0.428CS..  trans-151.595.8175.2-72.70000111.8Q1719Q1719-S1795 WeakPolarHBondContact O-CB 3.39Å; Q1719-S1795 PolarHBondContact O-OG 3.4Å
1796E25.4Very low26Very low125 Ų12574.4 Ų74.458%0.58441%0.408SS*.  trans-85.9151.2175.4-68.5162.6-165.500111.4
1797T28.7Very low25.7Very low61 Ų6175.9 Ų75.937%0.37442%0.416SS..  trans-154.686.5-179.3-52.80000111.2A1904T1797-A1904 CarbonylContact C-O 3.2Å; T1797-A1904 VanDerWaalsContact O-O 3.08Å
1798Q24.8Very low25.7Very low138 Ų13874.2 Ų74.265%0.64541%0.413SS*.  trans-94132.7-177.8-167177.326.400112.3
1799T26.3Very low25.7Very low42 Ų4274.3 Ų74.326%0.25841%0.411SS..  trans-140.9147.8179.8-40.60000109.6Q1906T1799-Q1906 VanDerWaalsContact O-O 3.1Å
1800P23.7Very low25.6Very low109 Ų10976.8 Ų76.871%0.70841%0.412SS*.  trans-78.9172.3-171.8-1834.3000116.3
1801Q21.7Very low25.8Very low97 Ų9778.6 Ų78.645%0.45342%0.417SS..  trans-93132-178.1-75.6-172.4-32.100115.4Q1906 P1908Q1801-Q1906 HydrophobicContact CG-CG 4.17Å; Q1801-P1908 HydrophobicContact CB-CB 4.02Å; Q1801-P1908 HydrophobicContact CG-CB 4.25Å
1802E22Very low26Very low133 Ų13378.4 Ų78.462%0.62142%0.422SS*.  trans-164.195.1161.5-131.7-175.1-173.600114.5Q1727 P1908Q1727-E1802 WeakPolarHBondContact CG-O 3.36Å; Q1727-E1802 VanDerWaalsContact NE2-CG 3.31Å; Q1727-E1802 PolarHBondContact NE2-O 3.1Å; E1802-P1908 VanDerWaalsContact C-CB 3.42Å; E1802-P1908 WeakPolarHBondContact O-CG 3.42Å
1803H21.7Very low26.5Very low105 Ų10579.7 Ų79.749%0.48643%0.433SS..  trans30.2143.1157.9-53-36.4000129.1Q1727 P1908 G1909 E1910Q1727-H1803 WeakPolarHBondContact CB-O 3.41Å; Q1727-H1803 WeakPolarHBondContact CG-O 3.43Å; H1803-P1908 VanDerWaalsContact N-CB 3.27Å; H1803-G1909 VanDerWaalsContact CA-C 3.4Å; H1803-G1909 WeakPolarHBondContact CA-O 3.32Å; H1803-G1909 PolarHBondContact ND1-O 3.39Å; H1803-E1910 HydrophobicContact CB-CB 3.47Å; H1803-E1910 VanDerWaalsContact CB-CB 3.47Å; H1803-E1910 HydrophobicContact CB-CG 3.41Å; H1803-E1910 VanDerWaalsContact CB-CG 3.41Å
1804R24.9Very low26.9Very low137 Ų13781 Ų8152%0.51744%0.441SS..  trans-135.9143.3172148.2-76.9-142.1-150.6-4.3121.1E1910 E1986R1804-E1910 CarbonylContact O-C 3.59Å; R1804-E1910 WeakPolarHBondContact O-CA 3.48Å; R1804-E1910 WeakPolarHBondContact O-CB 3.48Å; R1804-E1910 PolarHBondContact O-N 3.44Å; R1804-E1986 IonicContact CZ-OE1 3.02Å; R1804-E1986 IonicContact NH1-OE1 3.81Å; R1804-E1986 PolarHBondContact NH1-OE1 3.43Å; R1804-E1986 IonicContact NH1-OE2 3.42Å; R1804-E1986 PolarHBondContact NH1-OE2 2.74Å
1805P25.6Very low27.1Very low7 Ų779.8 Ų79.85%0.04543%0.432CS..  trans-103.7-156.3170.8-14.832.6000125.6T1729 E1910 K1912T1729-P1805 VanDerWaalsContact CB-C 3.49Å; T1729-P1805 VanDerWaalsContact O-CB 3.31Å; T1729-P1805 WeakPolarHBondContact O-CB 3.41Å; T1729-P1805 WeakPolarHBondContact OG1-CA 3.4Å; T1729-P1805 WeakPolarHBondContact OG1-CB 3.45Å; T1729-P1805 VanDerWaalsContact OG1-CD 3.22Å; T1729-P1805 WeakPolarHBondContact OG1-CD 3.43Å; T1729-P1805 PolarHBondContact OG1-O 3.06Å; P1805-E1910 HydrophobicContact CG-CB 4.13Å; P1805-E1910 WeakPolarHBondContact CG-OE2 3.49Å; P1805-K1912 HydrophobicContact CB-CB 3.84Å; P1805-K1912 HydrophobicContact CG-CB 3.91Å; P1805-K1912 HydrophobicContact CG-CG 4.4Å
1806V22.5Very low27.2Very low41 Ų4184.1 Ų84.125%0.24845%0.448CS..  trans-85.9164.3-168.9-127.40000121.5T1729 V1730 K1912 T1913T1729-V1806 CarbonylContact C-O 3.27Å; T1729-V1806 WeakPolarHBondContact CB-O 3.37Å; T1729-V1806 WeakPolarHBondContact CG2-O 3.46Å; V1730-V1806 CarbonylContact C-O 3.29Å; V1730-V1806 WeakPolarHBondContact CA-O 3.4Å; V1730-V1806 HydrophobicContact CG2-CG2 4.46Å; V1730-V1806 PolarHBondContact N-O 2.89Å; V1806-K1912 WeakPolarHBondContact CG2-O 3.4Å; V1806-T1913 VanDerWaalsContact CG2-N 3.25Å
1807V28.2Very low27.3Very low101 Ų10182.2 Ų82.261%0.61244%0.439SS*.  trans-142.3-155.9150.7-157.90000111.9T1729T1729-V1807 HydrophobicContact CG2-CG2 3.72Å
1808A25Very low27.3Very low28 Ų2882.2 Ų82.223%0.23144%0.439CS..  trans-162.4171.3-135.900000116.6V1731 E1732V1731-A1808 HydrophobicContact CB-CB 3.56Å; V1731-A1808 HydrophobicContact CG1-CB 3.51Å; E1732-A1808 CarbonylContact O-C 3.55Å; E1732-A1808 WeakPolarHBondContact O-CB 3.46Å
1809T29.1Very low27.4Very low86 Ų8682.2 Ų82.253%0.52843%0.433SS..  trans61.3154157.2410000118E1732E1732-T1809 VanDerWaalsContact O-CA 3.23Å; E1732-T1809 WeakPolarHBondContact O-CA 3.23Å; E1732-T1809 WeakPolarHBondContact O-CG2 3.32Å; E1732-T1809 PolarHBondContact O-N 2.99Å
1810K26.5Very low27.6Very low85 Ų8582.8 Ų82.837%0.3744%0.438SS..  cis-164152.2-28.4-125-177.1-179.9109.50107.3E1732 R1734E1732-K1810 IonicContact OE1-NZ 3.18Å; E1732-K1810 PolarHBondContact OE1-NZ 3.33Å; E1732-K1810 IonicContact OE2-NZ 3.64Å; E1732-K1810 PolarHBondContact OE2-NZ 2.99Å; R1734-K1810 HydrophobicContact CB-CD 4.23Å; R1734-K1810 HydrophobicContact CB-CG 4.02Å; R1734-K1810 VanDerWaalsContact CG-CE 3.45Å; R1734-K1810 VanDerWaalsContact N-CG 3.33Å
1811D30.5Very low27.5Very low98 Ų9883.5 Ų83.552%0.52444%0.439SS..  trans60.1123.3159.8-36.8-31.5000119.2R1734 D1735R1734-D1811 WeakPolarHBondContact O-CA 3.31Å; R1734-D1811 PolarHBondContact O-N 3.43Å; D1735-D1811 VanDerWaalsContact O-CA 3.27Å; D1735-D1811 WeakPolarHBondContact O-CA 3.39Å
1812A28.7Very low27.6Very low55 Ų5586.3 Ų86.346%0.45545%0.453SS..EExtended strand (participates in β ladder)trans-154131.117700000115.4D1735 M1736 T1737D1735-A1812 PolarHBondContact O-N 3.44Å; D1735-A1812 VanDerWaalsContact O-N 3.14Å; M1736-A1812 CarbonylContact C-O 3.49Å; M1736-A1812 WeakPolarHBondContact CA-O 3.46Å; M1736-A1812 WeakPolarHBondContact CB-O 3.46Å; M1736-A1812 HydrophobicContact CG-CB 4.04Å; M1736-A1812 VanDerWaalsContact CG-O 3.25Å; M1736-A1812 WeakPolarHBondContact CG-O 3.26Å; M1736-A1812 HydrophobicContact SD-CB 4.04Å; T1737-A1812 PolarHBondContact N-O 3.29Å
1813S40.9Very low27.9Very low78 Ų7883.5 Ų83.555%0.54545%0.448SS..EExtended strand (participates in β ladder)trans-140.1146.2176.353.50000113.8T1737T1737-S1813 CarbonylContact O-C 3.41Å; T1737-S1813 WeakPolarHBondContact O-CA 3.3Å; T1737-S1813 WeakPolarHBondContact O-CB 3.36Å; T1737-S1813 WeakPolarHBondContact OG1-CB 3.42Å
1814V35.7Very low28.1Very low79 Ų7984.1 Ų84.148%0.47946%0.459SS..EExtended strand (participates in β ladder)trans-140.8135.1-167.1-175.40000112.7T1737 M1738T1737-V1814 PolarHBondContact O-N 3.18Å; M1738-V1814 WeakPolarHBondContact CA-O 3.48Å; M1738-V1814 WeakPolarHBondContact CB-O 3.37Å; M1738-V1814 HydrophobicContact CG-CB 4.02Å; M1738-V1814 WeakPolarHBondContact CG-O 3.47Å; M1738-V1814 HydrophobicContact SD-CB 4.06Å
1815Y29.6Very low28.3Very low38 Ų3880.7 Ų80.715%0.14945%0.454CS..EExtended strand (participates in β ladder)trans-133.8145.8-175.1-79.4-98.9000112.9V1055 T1056 Q1057 Q1739V1055-Y1815 VanDerWaalsContact C-OH 3.29Å; V1055-Y1815 WeakPolarHBondContact CB-OH 3.23Å; V1055-Y1815 WeakPolarHBondContact CG1-OH 3.11Å; V1055-Y1815 WeakPolarHBondContact O-CE1 3.11Å; V1055-Y1815 PolarHBondContact O-OH 2.92Å; T1056-Y1815 PolarHBondContact O-OH 3.44Å; Q1057-Y1815 HydrophobicContact CB-CD1 3.19Å; Q1057-Y1815 HydrophobicContact CB-CD2 3.97Å; Q1057-Y1815 HydrophobicContact CB-CE1 3.23Å; Q1057-Y1815 HydrophobicContact CB-CE2 4.04Å; Q1057-Y1815 HydrophobicContact CB-CG 3.54Å; Q1057-Y1815 HydrophobicContact CG-CD1 4.33Å; Q1057-Y1815 HydrophobicContact CG-CG 4.26Å; Q1739-Y1815 HydrophobicContact CB-CD1 3.43Å; Q1739-Y1815 VanDerWaalsContact CB-CD1 3.43Å; Q1739-Y1815 HydrophobicContact CB-CE1 3.13Å; Q1739-Y1815 HydrophobicContact CG-CE1 4.3Å
1816H29Very low28.2Very low124 Ų12488.1 Ų88.157%0.57449%0.486SS*.EExtended strand (participates in β ladder)trans-139.8119.8171.3-77.2-47.4000112.6Q1739 H1740 H1741Q1739-H1816 PolarHBondContact O-N 3.45Å; H1740-H1816 WeakPolarHBondContact CA-O 3.36Å; H1740-H1816 PolarHBondContact CE1-O 2.78Å; H1740-H1816 VanDerWaalsContact CE1-O 3.31Å; H1740-H1816 PolarHBondContact ND1-O 3.22Å; H1741-H1816 PolarHBondContact N-O 2.66Å
1817E28.8Very low28.5Very low84 Ų8493.3 Ų93.339%0.39351%0.505SS..EExtended strand (participates in β ladder)trans-111.4127.9158.4-179.2177.9-124.300108.5H1741 R1819H1741-E1817 HydrophobicContact CB-CG 4.19Å; E1817-R1819 IonicContact OE2-CZ 2.68Å; E1817-R1819 IonicContact OE2-NE 4Å; E1817-R1819 PolarHBondContact OE2-NE 2.88Å; E1817-R1819 VanDerWaalsContact OE2-NE 3.16Å; E1817-R1819 IonicContact OE2-NH2 3.82Å; E1817-R1819 PolarHBondContact OE2-NH2 3.2Å
1818T28.6Very low28.4Very low62 Ų6293.2 Ų93.238%0.3850%0.5SS..EExtended strand (participates in β ladder)trans-106.1125.3176.220.50000111.2K1742K1742-T1818 WeakPolarHBondContact CD-OG1 3.45Å; K1742-T1818 VanDerWaalsContact CE-OG1 3.24Å; K1742-T1818 WeakPolarHBondContact CE-OG1 3.28Å; K1742-T1818 PolarHBondContact NZ-OG1 3.41Å; K1742-T1818 VanDerWaalsContact NZ-OG1 3.14Å
1819R26.6Very low28.9Very low138 Ų13898.1 Ų98.152%0.52152%0.518SS..  trans-110.3118.5-177.9-64.9179.8174.7-153.3-1.8110.8E1817E1817-R1819 IonicContact OE2-CZ 2.68Å; E1817-R1819 IonicContact OE2-NE 4Å; E1817-R1819 PolarHBondContact OE2-NE 2.88Å; E1817-R1819 VanDerWaalsContact OE2-NE 3.16Å; E1817-R1819 IonicContact OE2-NH2 3.82Å; E1817-R1819 PolarHBondContact OE2-NH2 3.2Å
1820P30.2Very low29Very low54 Ų5496.2 Ų96.235%0.35151%0.511SS..  trans-89.5176.3-177.336.1-36.3000113.7S1743 E1745S1743-P1820 WeakPolarHBondContact O-CD 3.45Å; S1743-P1820 WeakPolarHBondContact O-CG 3.37Å; E1745-P1820 HydrophobicContact CG-CB 3.55Å; E1745-P1820 HydrophobicContact CG-CG 3.49Å; E1745-P1820 VanDerWaalsContact CG-CG 3.49Å; E1745-P1820 VanDerWaalsContact OE1-CB 3.26Å; E1745-P1820 WeakPolarHBondContact OE1-CB 3.48Å
1821V22.5Very low29.4Very low123 Ų12397.5 Ų97.575%0.74552%0.521SS*.  trans-104.4118.7-161.6178.70000112.7S1823V1821-S1823 PolarHBondContact O-N 3.28Å
1822Q23.8Very low29.7Very low156 Ų15697 Ų9773%0.72952%0.522SS*.  trans-77.6114.7-179.5-174151.217.100112.8P1746P1746-Q1822 HydrophobicContact CB-CG 3.84Å; P1746-Q1822 VanDerWaalsContact CB-NE2 3.31Å; P1746-Q1822 HydrophobicContact CG-CB 3.78Å; P1746-Q1822 HydrophobicContact CG-CG 3.59Å
1823S28.2Very low30Very low75 Ų7596.6 Ų96.652%0.52451%0.514SS..  trans-102.4168.6-174.273.50000115V1821 P1825V1821-S1823 PolarHBondContact O-N 3.28Å; S1823-P1825 WeakPolarHBondContact O-CD 3.37Å
1824V25.7Very low29.6Very low118 Ų118102.9 Ų102.972%0.71553%0.525SS*.  trans-90.4121.1-154.8-179.50000115K1826V1824-K1826 PolarHBondContact O-N 2.99Å
1825P28.3Very low29.2Very low64 Ų64101.5 Ų101.542%0.41652%0.518SS..  trans-7887.6174.1-16.933.7000114.4V1748 S1823 K1827V1748-P1825 HydrophobicContact CB-CB 4.32Å; V1748-P1825 HydrophobicContact CG1-CB 4.09Å; V1748-P1825 HydrophobicContact CG2-CB 4.34Å; V1748-P1825 HydrophobicContact CG2-CG 4.28Å; S1823-P1825 WeakPolarHBondContact O-CD 3.37Å; P1825-K1827 PolarHBondContact O-N 3.46Å
1826K24.2Very low29Very low163 Ų163102 Ų10271%0.70952%0.523SS*.  trans-57.3119.4173.9-65.7-173178.6-175.60112V1824V1824-K1826 PolarHBondContact O-N 2.99Å
1827K27.5Very low28.9Very low150 Ų15099 Ų9965%0.65251%0.509SS*.  trans-82.5156.6160.3-66.8172.5-172.91540109.1K1751 P1825K1751-K1827 HydrophobicContact CB-CB 4.5Å; K1751-K1827 HydrophobicContact CB-CD 4.31Å; K1751-K1827 HydrophobicContact CB-CG 4.04Å; P1825-K1827 PolarHBondContact O-N 3.46Å
1828L27.4Very low29Very low99 Ų9998.4 Ų98.452%0.51851%0.509SS..  trans-124.7150.2171.8-75.7162.7000108.8K1751 L1752K1751-L1828 CarbonylContact C-O 3.54Å; K1751-L1828 PolarHBondContact O-N 2.84Å; L1752-L1828 VanDerWaalsContact CA-O 3.3Å; L1752-L1828 WeakPolarHBondContact CA-O 3.33Å; L1752-L1828 HydrophobicContact CD2-CB 3.82Å
1829Q35.2Very low28.9Very low131 Ų13197 Ų9761%0.61250%0.498SS*.  trans-141.2148.1176.2-127.9163.6-53.400107.7Q1753Q1753-Q1829 HydrophobicContact CB-CG 3.68Å; Q1753-Q1829 HydrophobicContact CG-CG 4.32Å
1830A32.2Very low29.1Very low46 Ų4694.5 Ų94.538%0.3851%0.507SS..  trans-129.3153.3176.500000109.7Q1753 A1754Q1753-A1830 CarbonylContact C-O 3.37Å; Q1753-A1830 WeakPolarHBondContact O-CA 3.14Å; Q1753-A1830 WeakPolarHBondContact O-CB 3.45Å; Q1753-A1830 PolarHBondContact O-N 3.03Å; Q1753-A1830 VanDerWaalsContact O-O 3.11Å; A1754-A1830 WeakPolarHBondContact CA-O 3.47Å; A1754-A1830 PolarHBondContact N-O 2.93Å
1831I33.3Very low28.8Very low112 Ų11297 Ų9757%0.57452%0.521SS*.  trans-140145.6174.8-61.7-168000105.2I1755I1755-I1831 HydrophobicContact CB-CB 3.95Å; I1755-I1831 HydrophobicContact CB-CD1 4.32Å; I1755-I1831 HydrophobicContact CB-CG1 3.76Å; I1755-I1831 HydrophobicContact CB-CG2 3.76Å; I1755-I1831 HydrophobicContact CD1-CD1 3.78Å; I1755-I1831 HydrophobicContact CD1-CG1 3.85Å; I1755-I1831 HydrophobicContact CG1-CD1 4.38Å; I1755-I1831 HydrophobicContact CG1-CG1 3.93Å; I1755-I1831 HydrophobicContact CG2-CB 4.47Å; I1755-I1831 HydrophobicContact CG2-CD1 4.44Å; I1755-I1831 HydrophobicContact CG2-CG1 4.35Å; I1755-I1831 HydrophobicContact CG2-CG2 3.79Å
1832V37.3Very low28.7Very low89 Ų8998.2 Ų98.254%0.53952%0.519SS..  trans-135.2164.1-178.2-167.90000106.9I1755 V1756I1755-V1832 CarbonylContact C-O 3.59Å; I1755-V1832 VanDerWaalsContact C-O 3.23Å; I1755-V1832 CarbonylContact O-C 3.58Å; I1755-V1832 WeakPolarHBondContact O-CA 3.38Å; I1755-V1832 WeakPolarHBondContact O-CB 3.4Å; I1755-V1832 PolarHBondContact O-N 3.17Å; V1756-V1832 WeakPolarHBondContact CA-O 3.1Å; V1756-V1832 PolarHBondContact N-O 3.48Å; V1756-V1832 VanDerWaalsContact N-O 3.13Å
1833V34.4Very low28.7Very low46 Ų4696.1 Ų96.128%0.27952%0.517SS..  trans60.8145172.3-151.70000115.3V1756 Q1757V1756-V1833 HydrophobicContact CB-CB 4.13Å; V1756-V1833 HydrophobicContact CB-CG2 4.08Å; V1756-V1833 HydrophobicContact CG1-CB 3.77Å; V1756-V1833 HydrophobicContact CG1-CG1 4.05Å; V1756-V1833 HydrophobicContact CG1-CG2 3.79Å; V1756-V1833 HydrophobicContact CG2-CG2 3.95Å; Q1757-V1833 PolarHBondContact N-O 3.33Å; Q1757-V1833 CarbonylContact O-C 3.32Å; Q1757-V1833 WeakPolarHBondContact O-CG1 3.26Å
1834R33.5Very low28.5Very low209 Ų20996.5 Ų96.579%0.78951%0.513SS*.  -129.3-90.6-55-111.1-179.9-70.7-151.4-7.9107.4Q1757Q1757-R1834 PolarHBondContact O-N 2.96Å; Q1757-R1834 PolarHBondContact OE1-O 3.42Å
1835P26.6Very low28.3Very low51 Ų5196.1 Ų96.133%0.33150%0.502SS..  trans-123162.6-145.541.4-22000114.9Q1757 P1758 P1759Q1757-P1835 PolarHBondContact NE2-O 3.12Å; Q1757-P1835 WeakPolarHBondContact O-CD 3.46Å; Q1757-P1835 VanDerWaalsContact OE1-CD 3.3Å; P1758-P1835 CarbonylContact C-O 3.27Å; P1758-P1835 VanDerWaalsContact C-O 3.25Å; P1758-P1835 VanDerWaalsContact CA-CD 3.47Å; P1759-P1835 HydrophobicContact CB-CG 4.23Å
1836L25.5Very low28.2Very low47 Ų4799 Ų9925%0.24651%0.513CS..  trans68.3112.6178.2-55.480.2000115.2P1759 T1760P1759-L1836 HydrophobicContact CB-CB 4.49Å; P1759-L1836 HydrophobicContact CB-CD1 3.21Å; P1759-L1836 HydrophobicContact CB-CD2 4.27Å; P1759-L1836 HydrophobicContact CB-CG 4.12Å; T1760-L1836 VanDerWaalsContact C-CD2 3.45Å; T1760-L1836 VanDerWaalsContact CA-CD2 3.47Å; T1760-L1836 VanDerWaalsContact CB-CB 3.5Å; T1760-L1836 HydrophobicContact CG2-CB 4.04Å; T1760-L1836 HydrophobicContact CG2-CD2 3.8Å; T1760-L1836 HydrophobicContact CG2-CG 4.47Å; T1760-L1836 WeakPolarHBondContact O-CD2 3.19Å
1837E28.2Very low28.2Very low63 Ų6392.6 Ų92.629%0.29449%0.491SS..  cis-152.2176.2-3.1-135.4134.7-149.800114.7T1760T1760-E1837 WeakPolarHBondContact CG2-OE2 3.17Å
1838N30.4Very low28.1Very low70 Ų7092.4 Ų92.437%0.37449%0.493SS..SBendtrans-4117.3169.9-54.3-33.8000115.9
1839M25.4Very low28.1Very low33 Ų3393.4 Ų93.416%0.16351%0.505CS..  cis-143.314327.3-75.8-161.5-78.300116.3Q2286 Q2362 T2363 M2364M1839-Q2286 HydrophobicContact CE-CB 3.84Å; M1839-Q2286 HydrophobicContact CE-CG 3.55Å; M1839-Q2362 HydrophobicContact CB-CB 4.23Å; M1839-Q2362 HydrophobicContact CB-CG 4.35Å; M1839-Q2362 WeakPolarHBondContact CE-O 3.33Å; M1839-Q2362 VanDerWaalsContact O-CD 3.25Å; M1839-Q2362 PolarHBondContact O-NE2 2.67Å; M1839-Q2362 PolarHBondContact O-OE1 2.98Å; M1839-T2363 VanDerWaalsContact CE-CA 3.47Å; M1839-M2364 HydrophobicContact CE-CB 3.92Å; M1839-M2364 VanDerWaalsContact CE-N 3.31Å; M1839-M2364 HydrophobicContact SD-CB 3.65Å; M1839-M2364 HydrophobicContact SD-CG 4.05Å
1840A31.5Very low27.5Very low85 Ų8593.4 Ų93.470%0.70251%0.514SS*.  trans-81120.8173.400000111.7Q1842 Q2362A1840-Q1842 PolarHBondContact O-N 2.82Å; A1840-Q2362 VanDerWaalsContact C-OE1 3.29Å
1841T23.6Very low27Very low106 Ų10697 Ų9765%0.6553%0.53SS*.  trans-88.553152.623.60000110.8T1843 Q2362T1841-T1843 WeakPolarHBondContact O-CB 3.4Å; T1841-T1843 PolarHBondContact O-OG1 3.14Å; T1841-Q2362 PolarHBondContact OG1-NE2 3.32Å; T1841-Q2362 VanDerWaalsContact OG1-NE2 3.09Å
1842Q20.8Very low26.4Very low149 Ų149100.3 Ų100.370%0.69655%0.546SS*.  trans-80.4105.3151.2-173.5173.8-2.500105.5A1840 D1844A1840-Q1842 PolarHBondContact O-N 2.82Å; Q1842-D1844 PolarHBondContact NE2-OD2 3.4Å
1843T23.5Very low25.7Very low113 Ų113101.4 Ų101.469%0.69356%0.555SS**  cis57.465.447.5-48.90000112.7T1841T1841-T1843 WeakPolarHBondContact O-CB 3.4Å; T1841-T1843 PolarHBondContact O-OG1 3.14Å
1844D23.7Very low24.9Very low83 Ų83107.4 Ų107.444%0.44458%0.582SS.*  trans-169.491.5148.2-81.8-46.3000105.3Q1842 T2217Q1842-D1844 PolarHBondContact NE2-OD2 3.4Å; D1844-T2217 WeakPolarHBondContact OD1-CB 3.34Å; D1844-T2217 VanDerWaalsContact OD1-CG2 3.27Å; D1844-T2217 WeakPolarHBondContact OD1-CG2 3.45Å; D1844-T2217 PolarHBondContact OD1-OG1 3.25Å
1845F22.8Very low24.3Very low109 Ų109102.8 Ų102.848%0.47858%0.576SS.*  68.5110.165-139-106.8000113.4T2219F1845-T2219 HydrophobicContact CE1-CG2 4.16Å; F1845-T2219 HydrophobicContact CE2-CG2 4.15Å; F1845-T2219 HydrophobicContact CZ-CG2 3.61Å
1846L25.1Very low23.9Very low124 Ų124108.3 Ų108.365%0.64960%0.598SS**  trans75.1138.8170.8-49.6176.9000118.6
1847A23.6Very low23.7Very low30 Ų30112.3 Ų112.325%0.24862%0.624CS.*  trans-75.5152.315800000111.2P2369 P2370 I2372A1847-P2369 HydrophobicContact CB-CB 4.45Å; A1847-P2370 WeakPolarHBondContact CB-O 3.12Å; A1847-I2372 HydrophobicContact CB-CD1 3.69Å; A1847-I2372 HydrophobicContact CB-CG1 4.31Å
1848Q26.2Very low23.3Very low146 Ų146115 Ų11568%0.68265%0.645SS**  trans-26.4158172.6-59.2175.3-11.600117.5I2372Q1848-I2372 WeakPolarHBondContact O-CD1 3.34Å; Q1848-I2372 VanDerWaalsContact O-CG1 3.27Å; Q1848-I2372 WeakPolarHBondContact O-CG1 3.41Å
1849P26.8Very low22.8Very low120 Ų120120.5 Ų120.578%0.77967%0.668SS**  -120.3176.391.435.8-35.5000114.1
1850V23.1Very low22.6Very low131 Ų131127.4 Ų127.479%0.79470%0.7SS**  trans88.2115.5170.3-168.60000116.9
1851V22Very low22.2Very low121 Ų121132.3 Ų132.373%0.73371%0.708SS**  trans-82.8143.8176.2170.30000111.5
1852M19.7Very low22.1Very low182 Ų182132.7 Ų132.790%0.89771%0.712SS**  trans-170.4155136.4-103.6-161-5500113
1853P24.4Very low22Very low112 Ų112134.5 Ų134.573%0.72772%0.721SS**  trans-119.5164.5-176.741.7-31.9000115.6
1854M17.6Very low21.7Very low172 Ų172135.3 Ų135.385%0.84773%0.726SS**  trans-173.6134.5145.8-106.7-173.378.400114.3
1855V19.6Very low21.5Very low111 Ų111139.1 Ų139.167%0.67374%0.741SS**  trans45.3128.9138.5178.60000120
1856Q17.4Very low21.4Very low167 Ų167140.8 Ų140.878%0.7875%0.75SS**  cis111.5108.716.7179.4-166.553.600114.5
1857T21.7Very low21.1Very low131 Ų131139.9 Ų139.980%0.80475%0.75SS**  trans-174.1112.9158.437.50000109
1858T20.3Very low21.1Very low119 Ų119144 Ų14473%0.7377%0.774SS**  7410675.259.90000118.1
1859H20.3Very low20.7Very low186 Ų186144 Ų14486%0.86178%0.784SS**  -164.5160.3123.7-128.2-87.4000114.2
1860H20.8Very low20.3Very low179 Ų179146.8 Ų146.883%0.82979%0.787SS**  trans-119153172.3-69.4-105.3000111
1861E23.2Very low20.3Very low188 Ų188147.4 Ų147.488%0.87979%0.791SS**  -166.1-178.3126.2-118.9-161.1137.300112.4
1862P22.3Very low20.2Very low113 Ų113150.2 Ų150.273%0.73480%0.796SS**  -119.5-160.4-123.645.9-32.8000117.8
1863Q18Very low20.3Very low188 Ų188153.2 Ų153.288%0.87980%0.798SS**  trans-123.2153.5-157.8-48.7164.2-65.300115.1
1864T17.9Very low20Very low129 Ų129153 Ų15379%0.79181%0.805SS**  trans-164.4125.3142.826.10000108.1
1865Q18.9Very low20.2Very low164 Ų164156.4 Ų156.477%0.76681%0.808SS**  65.6135.981.2-106.6-168.8-43.400113.9
1866E21.5Very low20.2Very low144 Ų144159.1 Ų159.167%0.67382%0.817SS**  cis-150.2174.519.6-89.3-80.991.900108.7
1867T18Very low20.4Very low104 Ų104160.5 Ų160.564%0.63882%0.821SS**  cis-172.4152.7-34.8-98.30000108.6
1868P22.4Very low20.6Very low116 Ų116161.4 Ų161.475%0.75382%0.821SS**  trans-103.9173.2-15839.8-37.3000117.6
1869T18.7Very low20.7Very low146 Ų146165 Ų16590%0.89683%0.829SS**  trans-126.8146.8175.8-52.30000112.4
1870Q19.4Very low21Very low180 Ų180164.5 Ų164.584%0.84183%0.827SS**  trans-118.4166.5-172.7-57.3174-4.700113.2
1871T22.1Very low21Very low143 Ų143162.7 Ų162.788%0.87783%0.829SS**  trans-159.2146.8153.2-70.80000111.1
1872E20.4Very low21.1Very low180 Ų180161.7 Ų161.784%0.84182%0.822SS**  trans-80.1159.4179.9-60.8168.3100.800112.5
1873R20.7Very low21.2Very low246 Ų246162.8 Ų162.893%0.92883%0.827SS**  cis84.278.420.4-145.1179.5-156.7-172.89117.1
1874A19.2Very low21.5Very low107 Ų107159.3 Ų159.388%0.88482%0.823SS**  trans-104.8166.1167.600000112.8
1875R20.5Very low22Very low243 Ų243157.5 Ų157.592%0.91781%0.808SS**  trans-141.6130-155.3-165.6179.6-170.2172.73.9114
1876I21.5Very low22.4Very low168 Ų168155.1 Ų155.186%0.86280%0.797SS**  trans-113.4168.1176.1-61.3178.3000109.4
1877K21.8Very low22.7Very low197 Ų197150.8 Ų150.886%0.85778%0.778SS**  trans-124.9147.4-166.8-64178.2179.8175.20114.2
1878D24.1Very low23.1Very low149 Ų149152.4 Ų152.480%0.79778%0.776SS**  trans-84.1162.6-177.3-45.8-87.6000115.6
1879Q23.7Very low23.7Very low195 Ų195150 Ų15091%0.91176%0.759SS**  trans-142.6142.5160.6-63.2-174.41000109.4
1880Q25.5Very low24.1Very low176 Ų176148.8 Ų148.882%0.82274%0.742SS**  trans-143.6159.7177.9-71.8-172.1-10.500111.7
1881T21.4Very low24.6Very low141 Ų141145.1 Ų145.187%0.86573%0.728SS**  trans-135.1153.4-169.7-24.90000111.4
1882F25.3Very low24.9Very low167 Ų167143.7 Ų143.773%0.73272%0.719SS**  trans-114.8160.4-168.9-60.4-92.7000113.8T1697T1697-F1882 HydrophobicContact CG2-CE1 4.46Å; T1697-F1882 HydrophobicContact CG2-CE2 4.37Å; T1697-F1882 HydrophobicContact CG2-CZ 4.08Å
1883T24.1Very low25.2Very low135 Ų135143.4 Ų143.483%0.82872%0.718SS**  trans-141139.5-179.2-43.30000111.8
1884S24.1Very low25.6Very low115 Ų115136.3 Ų136.380%0.80470%0.702SS**  trans-88.9161174-57.40000112.7
1885I29.2Very low25.8Very low92 Ų92139.8 Ų139.847%0.47270%0.7SS.*  trans-134.6132-175.3-55178.2000110.7I1776 P1778I1776-I1885 HydrophobicContact CG2-CD1 4.38Å; P1778-I1885 HydrophobicContact CB-CG2 3.93Å; P1778-I1885 HydrophobicContact CG-CG2 4Å
1886E27.7Very low26.2Very low113 Ų113134.2 Ų134.253%0.52868%0.682SS.*  trans-97160.1169.8-79.4-163.3131.800112.4K1704K1704-E1886 IonicContact NZ-OE1 2.66Å; K1704-E1886 PolarHBondContact NZ-OE1 2.66Å
1887L27.7Very low26.6Very low53 Ų53127.9 Ų127.928%0.27766%0.658SS.*  trans-121.3148.8176.5-89.8161.6000111.4L1703 P1778 P1779L1703-L1887 HydrophobicContact CD2-CD1 3.61Å; P1778-L1887 HydrophobicContact CB-CD2 3.95Å; P1778-L1887 HydrophobicContact CB-CG 4.38Å; P1779-L1887 HydrophobicContact CB-CD2 4.21Å; P1779-L1887 WeakPolarHBondContact O-CD2 3.27Å
1888K26.4Very low27Very low138 Ų138120.9 Ų120.960%0.663%0.634SS**  trans-145.3127.7176.4-65.4-171.6179.1-175.30111.7F1890K1888-F1890 HydrophobicContact CB-CE2 4.32Å
1889T33.7Very low27.1Very low66 Ų66119.3 Ų119.341%0.40563%0.625SS.*  trans-93.5162170-49.90000109.7
1890F28.3Very low27.5Very low120 Ų120113.2 Ų113.253%0.52660%0.598SS.*  trans-141.8122.2178-70-96.5000109.9F1782 K1888F1782-F1890 HydrophobicContact CE1-CB 4.45Å; K1888-F1890 HydrophobicContact CB-CE2 4.32Å
1891D29.5Very low27.8Very low103 Ų103109.9 Ų109.955%0.55158%0.581SS**  trans-95.8152.4-177.9-45.2-54.4000111.6
1892V28.2Very low28.2Very low114 Ų114105.4 Ų105.469%0.69155%0.553SS**  trans-135117.6175.7-179.20000109.5
1893Q26.2Very low28.5Very low174 Ų174101.9 Ų101.981%0.81354%0.539SS*.  trans-96.8126.2-173-166.6176.932.700111
1894T29.2Very low29Very low97 Ų9797.8 Ų97.860%0.59552%0.519SS*.  trans-139.6141.5172.234.50000110.6
1895Q24.4Very low29.4Very low179 Ų17995.4 Ų95.484%0.83651%0.507SS*.EExtended strand (participates in β ladder)trans-106.2145.8-178.7-74-178.3-35.600111.3
1896F27.7Very low29.5Very low126 Ų12694.8 Ų94.855%0.55350%0.501SS*.EExtended strand (participates in β ladder)trans-133.4139.2177-174.9-95.1000110.4G1789 Q1971G1789-F1896 PolarHBondContact N-O 3.23Å; F1896-Q1971 WeakPolarHBondContact CE1-O 3.23Å
1897G31Very low29.6Very low35 Ų3594.3 Ų94.336%0.36151%0.506SS..  trans-166.4154.4-176.100000115.3G1789G1789-G1897 WeakPolarHBondContact O-CA 3.41Å
1898S29.4Very low29.6Very low50 Ų5093.5 Ų93.535%0.3551%0.505SS..PPolyproline II helixtrans-79.3132.8-175.657.50000113.2V1791V1791-S1898 CarbonylContact C-O 3.44Å
1899I26.3Very low29.8Very low117 Ų11787.3 Ų87.360%0.648%0.48SS*.PPolyproline II helixtrans-101.8118.2173-58172.6000109.5K1901I1899-K1901 HydrophobicContact CG2-CB 4.28Å
1900L32.2Very low29.5Very low67 Ų6785.5 Ų85.535%0.35147%0.467SS..PPolyproline II helixtrans-99.5129.5161179.171.6000107.8T1792 V1793T1792-L1900 HydrophobicContact CG2-CB 4.31Å; T1792-L1900 HydrophobicContact CG2-CD2 4.28Å; V1793-L1900 CarbonylContact C-O 3.18Å; V1793-L1900 PolarHBondContact N-O 3.24Å
1901K31.4Very low29.4Very low106 Ų10684.5 Ų84.546%0.46146%0.464SS..  trans-144.589.8-178.7-168.1-159.6-170.9-160.40111.2I1899 Q1903I1899-K1901 HydrophobicContact CG2-CB 4.28Å; K1901-Q1903 HydrophobicContact CD-CG 4.47Å; K1901-Q1903 HydrophobicContact CG-CG 4.41Å
1902T30.3Very low29.4Very low46 Ų4684.3 Ų84.328%0.28246%0.458SS..  trans-72129.7170.8-49.20000110.1
1903Q31.7Very low29.4Very low93 Ų9381.9 Ų81.944%0.43544%0.443SS..  trans-139124.6166.2-64.3-164.5-9700109.6K1901K1901-Q1903 HydrophobicContact CD-CG 4.47Å; K1901-Q1903 HydrophobicContact CG-CG 4.41Å
1904A33.9Very low29.6Very low49 Ų4976.4 Ų76.441%0.40542%0.422SS..  trans-118.9128.5166.100000107.9T1797T1797-A1904 CarbonylContact C-O 3.2Å; T1797-A1904 VanDerWaalsContact O-O 3.08Å
1905A32.7Very low29.9Very low66 Ų6673.5 Ų73.555%0.54540%0.404SS..  trans-141.3103.4-178.400000109.3
1906Q30.8Very low30.5Very low78 Ų7868.1 Ų68.136%0.36438%0.379SS..  trans-84.6130.9176.2-148.217216.200108.8T1799 Q1801T1799-Q1906 VanDerWaalsContact O-O 3.1Å; Q1801-Q1906 HydrophobicContact CG-CG 4.17Å
1907T30.4Very low31.3Very low103 Ų10363.7 Ų63.763%0.63236%0.362SS*.  trans-155.6151.8-175-55.10000109.5
1908P29Very low31.8Very low37 Ų3766.7 Ų66.724%0.2436%0.362CS..  trans-121.8173.4-153.447.3-41.4000118.8Q1801 E1802 H1803Q1801-P1908 HydrophobicContact CB-CB 4.02Å; Q1801-P1908 HydrophobicContact CG-CB 4.25Å; E1802-P1908 VanDerWaalsContact C-CB 3.42Å; E1802-P1908 WeakPolarHBondContact O-CG 3.42Å; H1803-P1908 VanDerWaalsContact N-CB 3.27Å
1909G29.5Very low32.4Very low8 Ų868.2 Ų68.28%0.08237%0.366CS..  trans-150.1146.2-17400000116.1H1803H1803-G1909 VanDerWaalsContact CA-C 3.4Å; H1803-G1909 WeakPolarHBondContact CA-O 3.32Å; H1803-G1909 PolarHBondContact ND1-O 3.39Å
1910E27.4Very low33.2Very low27 Ų2766.2 Ų66.213%0.12636%0.355CS..  trans-120.1-164.2-160.2-146-126.4108.900114.7H1803 R1804 P1805 K1912H1803-E1910 HydrophobicContact CB-CB 3.47Å; H1803-E1910 VanDerWaalsContact CB-CB 3.47Å; H1803-E1910 HydrophobicContact CB-CG 3.41Å; H1803-E1910 VanDerWaalsContact CB-CG 3.41Å; R1804-E1910 CarbonylContact O-C 3.59Å; R1804-E1910 WeakPolarHBondContact O-CA 3.48Å; R1804-E1910 WeakPolarHBondContact O-CB 3.48Å; R1804-E1910 PolarHBondContact O-N 3.44Å; P1805-E1910 HydrophobicContact CG-CB 4.13Å; P1805-E1910 WeakPolarHBondContact CG-OE2 3.49Å; E1910-K1912 IonicContact OE1-NZ 3.71Å; E1910-K1912 PolarHBondContact OE1-NZ 3.11Å; E1910-K1912 IonicContact OE2-NZ 2.73Å; E1910-K1912 PolarHBondContact OE2-NZ 2.9Å
1911Q26.9Very low33.9Very low100 Ų10064.4 Ų64.447%0.46735%0.347SS..  trans-136.484.9177.2-53.6168.2-14.900112R1988Q1911-R1988 PolarHBondContact O-NH2 3.49Å
1912K28Very low34.4Very low99 Ų9963.6 Ų63.643%0.4335%0.346SS..  trans-136.4170154.2-63.6-172.4-178.461.10111.6V1730 P1805 V1806 E1910 R1988V1730-K1912 HydrophobicContact CG2-CB 4.04Å; P1805-K1912 HydrophobicContact CB-CB 3.84Å; P1805-K1912 HydrophobicContact CG-CB 3.91Å; P1805-K1912 HydrophobicContact CG-CG 4.4Å; V1806-K1912 WeakPolarHBondContact CG2-O 3.4Å; E1910-K1912 IonicContact OE1-NZ 3.71Å; E1910-K1912 PolarHBondContact OE1-NZ 3.11Å; E1910-K1912 IonicContact OE2-NZ 2.73Å; E1910-K1912 PolarHBondContact OE2-NZ 2.9Å; K1912-R1988 WeakPolarHBondContact O-CD 3.18Å; K1912-R1988 PolarHBondContact O-NE 2.69Å; K1912-R1988 VanDerWaalsContact O-NE 3.09Å
1913T28.4Very low35.3Very low62 Ų6262.6 Ų62.638%0.3834%0.338SS..  -99-129.9-96.6-43.20000122.9V1806 R1988V1806-T1913 VanDerWaalsContact CG2-N 3.25Å; T1913-R1988 WeakPolarHBondContact O-CD 3.33Å
1914V30.2Very low36Very low60 Ų6060.7 Ų60.736%0.36433%0.329SS..  trans-115168.3-155.6-153.80000117.5P1989V1914-P1989 HydrophobicContact CG1-CB 3.93Å; V1914-P1989 HydrophobicContact CG1-CG 4.3Å; V1914-P1989 HydrophobicContact CG2-CB 4.06Å; V1914-P1989 VanDerWaalsContact CG2-CD 3.46Å; V1914-P1989 HydrophobicContact CG2-CG 3.63Å
1915V36.7Very low36.4Very low35 Ų3561.5 Ų61.521%0.21232%0.324CS..  trans-142150.7-178.4179.40000114.4V1731 V1733 I1990V1731-V1915 VanDerWaalsContact O-CG2 3.3Å; V1731-V1915 WeakPolarHBondContact O-CG2 3.37Å; V1733-V1915 HydrophobicContact CB-CG1 3.74Å; V1733-V1915 HydrophobicContact CG2-CG1 3.65Å; V1915-I1990 VanDerWaalsContact O-O 3.09Å
1916E35.8Very low36.7Very low67 Ų6762.7 Ų62.731%0.31332%0.317SS..  trans-125.4168.9169.6-161.5-167.3133.500110.8V1733 R1918V1733-E1916 CarbonylContact C-O 3.55Å; V1733-E1916 CarbonylContact O-C 3.55Å; E1916-R1918 IonicContact OE1-CZ 3.12Å; E1916-R1918 VanDerWaalsContact OE1-CZ 3.26Å; E1916-R1918 IonicContact OE1-NE 2.82Å; E1916-R1918 PolarHBondContact OE1-NE 2.96Å; E1916-R1918 IonicContact OE1-NH2 3.75Å; E1916-R1918 PolarHBondContact OE1-NH2 3.11Å
1917V45.6Very low37Very low32 Ų3262 Ų6219%0.19432%0.321CS..  trans-154.5158-179.9-165.60000112.3V1733 I1991 V1993V1733-V1917 HydrophobicContact CB-CG2 4.21Å; V1733-V1917 HydrophobicContact CG1-CG1 4.46Å; V1733-V1917 HydrophobicContact CG1-CG2 4.14Å; V1917-I1991 HydrophobicContact CG2-CG2 4.08Å; V1917-V1993 HydrophobicContact CB-CG2 4.08Å; V1917-V1993 WeakPolarHBondContact O-CA 3.22Å
1918R42.2Very low37.5Very low99 Ų9959 Ų5937%0.37430%0.303SS..  trans-142.1170.1175.3-65.7-168.1-172.2-179.93.9115.5D1735 E1916D1735-R1918 WeakPolarHBondContact CA-O 3.43Å; D1735-R1918 PolarHBondContact N-O 3.44Å; D1735-R1918 WeakPolarHBondContact OD1-CB 3.37Å; E1916-R1918 IonicContact OE1-CZ 3.12Å; E1916-R1918 VanDerWaalsContact OE1-CZ 3.26Å; E1916-R1918 IonicContact OE1-NE 2.82Å; E1916-R1918 PolarHBondContact OE1-NE 2.96Å; E1916-R1918 IonicContact OE1-NH2 3.75Å; E1916-R1918 PolarHBondContact OE1-NH2 3.11Å
1919D42.1Very low37.8Very low81 Ų8160.2 Ų60.243%0.43331%0.306SS..  trans34.6127164.7-50.6-2.1000121.8M1736 K1994M1736-D1919 PolarHBondContact N-O 2.83Å; D1919-K1994 WeakPolarHBondContact CA-O 3.4Å; D1919-K1994 PolarHBondContact N-O 3.48Å
1920M41.8Very low38Very low75 Ų7563.3 Ų63.337%0.36932%0.324SS..EExtended strand (participates in β ladder)trans-144.2154.6179-69.3-169.8-80.500117.3M1736 D1995 L1996M1736-M1920 HydrophobicContact CB-CG 4.01Å; M1736-M1920 HydrophobicContact CB-SD 4.19Å; M1736-M1920 HydrophobicContact CE-SD 3.89Å; M1736-M1920 WeakPolarHBondContact O-CA 3.31Å; M1736-M1920 WeakPolarHBondContact O-CB 3.4Å; M1736-M1920 WeakPolarHBondContact O-CG 3.39Å; M1920-D1995 PolarHBondContact N-O 3.49Å; M1920-L1996 HydrophobicContact CB-CD1 3.56Å; M1920-L1996 WeakPolarHBondContact O-CA 3.4Å
1921T48.3Very low38.8Very low29 Ų2966.2 Ų66.218%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-154.3156.3-171.142.10000116.8D1053 V1055 T1737 M1738 I1997D1053-T1921 WeakPolarHBondContact OD2-CB 3.27Å; D1053-T1921 WeakPolarHBondContact OD2-CG2 3.33Å; V1055-T1921 HydrophobicContact CG2-CG2 4.38Å; V1055-T1921 WeakPolarHBondContact CG2-OG1 3.41Å; T1737-T1921 VanDerWaalsContact CB-OG1 3.3Å; T1737-T1921 WeakPolarHBondContact CB-OG1 3.36Å; T1737-T1921 WeakPolarHBondContact CG2-OG1 3.4Å; M1738-T1921 PolarHBondContact N-O 3.33Å; T1921-I1997 HydrophobicContact CG2-CD1 4.16Å
1922M41.9Very low39.2Very low89 Ų8963.3 Ų63.344%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-160.7134.1-177-117.4-159.7-56.900118.9D1053 M1738 I1997 T1998D1053-M1922 VanDerWaalsContact CG-C 3.42Å; D1053-M1922 PolarHBondContact OD2-N 3.33Å; M1738-M1922 HydrophobicContact CB-CG 3.79Å; M1738-M1922 HydrophobicContact CE-CE 4.48Å; M1738-M1922 HydrophobicContact CE-CG 4.48Å; M1738-M1922 HydrophobicContact CE-SD 4.1Å; M1738-M1922 VanDerWaalsContact O-CA 3.29Å; M1738-M1922 WeakPolarHBondContact O-CA 3.39Å; M1922-I1997 PolarHBondContact N-O 3.39Å; M1922-T1998 WeakPolarHBondContact O-CA 3.23Å; M1922-T1998 WeakPolarHBondContact O-CB 3.3Å; M1922-T1998 WeakPolarHBondContact O-CG2 3.37Å; M1922-T1998 PolarHBondContact O-OG1 2.87Å
1923Q47.7Very low39.7Very low26 Ų2661.1 Ų61.112%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-137.3160.7176.7-124.9-168.510.600116.4D1053 Q1739 H1740 Q1999D1053-Q1923 HydrophobicContact CB-CG 4.27Å; D1053-Q1923 PolarHBondContact O-NE2 3.44Å; D1053-Q1923 VanDerWaalsContact OD1-CB 3.31Å; D1053-Q1923 WeakPolarHBondContact OD1-CB 3.22Å; D1053-Q1923 WeakPolarHBondContact OD1-CG 3.41Å; D1053-Q1923 PolarHBondContact OD1-N 3.35Å; Q1739-Q1923 HydrophobicContact CG-CB 3.49Å; Q1739-Q1923 VanDerWaalsContact CG-CB 3.49Å; Q1739-Q1923 VanDerWaalsContact CG-O 3.28Å; Q1739-Q1923 WeakPolarHBondContact CG-O 3.36Å; H1740-Q1923 PolarHBondContact N-O 3.1Å; Q1923-Q1999 HydrophobicContact CG-CB 3.9Å
1924H46.3Very low40.2Very low53 Ų5363.2 Ų63.225%0.24532%0.324CS..EExtended strand (participates in β ladder)trans-153.6138.4178.6-167.9-39.3000116.6H1740 Q1999 H2000H1740-H1924 VanDerWaalsContact O-CA 3.26Å; H1740-H1924 WeakPolarHBondContact O-CA 3.34Å; H1740-H1924 PolarHBondContact O-ND1 3.38Å; H1924-Q1999 PolarHBondContact N-O 3.07Å; H1924-H2000 AromaticContact ND1-CD2 3.84Å; H1924-H2000 WeakPolarHBondContact O-CA 3.37Å; H1924-H2000 VanDerWaalsContact O-CB 3.28Å; H1924-H2000 WeakPolarHBondContact O-CB 2.83Å; H1924-H2000 PolarHBondContact O-CD2 3.49Å
1925H43.1Very low40.9Very low65 Ų6563.9 Ų63.930%0.30132%0.322SS..EExtended strand (participates in β ladder)trans-132.8159.6175.4-102.6-77000114.8H1740 H1741 K1742 E2001H1740-H1925 PolarHBondContact O-N 3.5Å; H1741-H1925 WeakPolarHBondContact CE1-CB 3.39Å; H1741-H1925 AromaticContact CE1-CD2 3.86Å; H1741-H1925 AromaticContact CE1-CG 3.91Å; H1741-H1925 AromaticContact NE2-CD2 3.63Å; H1741-H1925 AromaticContact NE2-CG 3.97Å; K1742-H1925 PolarHBondContact N-O 2.98Å; H1925-E2001 VanDerWaalsContact CE1-CB 3.41Å; H1925-E2001 WeakPolarHBondContact CE1-CB 3.14Å; H1925-E2001 IonicContact CE1-OE2 3.77Å
1926K37.8Very low41.1Very low91 Ų9163.5 Ų63.540%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-152138.9177.2-103.9162.3-179.1150.70115.5K1742K1742-K1926 HydrophobicContact CB-CG 4.17Å
1927S37.2Very low41.8Very low63 Ų6363.2 Ų63.244%0.44132%0.317SS..  trans-124.6156.7177.2-167.90000113.7P1744P1744-S1927 WeakPolarHBondContact CB-O 3.44Å; P1744-S1927 WeakPolarHBondContact CG-O 3.45Å
1928P42.6Very low41.6Very low40 Ų4063.2 Ų63.226%0.2632%0.32SS..  trans-113.5-164176.4-8.132.7000118.3P1744 R2003 E2005P1744-P1928 WeakPolarHBondContact CG-O 3.27Å; P1928-R2003 WeakPolarHBondContact CD-O 3.17Å; P1928-R2003 WeakPolarHBondContact CG-O 3.13Å; P1928-E2005 HydrophobicContact CB-CG 3.88Å; P1928-E2005 WeakPolarHBondContact CB-OE1 3.29Å
1929E34.1Very low41.8Very low64 Ų6459.3 Ų59.330%0.29931%0.307SS..  trans-135.3118.1-146.1-56.8177.9-168.500118.1P1744 E1745 I1747 E2005P1744-E1929 HydrophobicContact CB-CG 3.57Å; P1744-E1929 HydrophobicContact CG-CG 4.13Å; E1745-E1929 WeakPolarHBondContact CB-OE1 3.32Å; E1745-E1929 PolarHBondContact N-OE1 2.91Å; E1745-E1929 VanDerWaalsContact O-CG 3.25Å; E1745-E1929 WeakPolarHBondContact O-CG 3.21Å; I1747-E1929 HydrophobicContact CD1-CB 3.75Å; E1929-E2005 PolarHBondContact N-OE1 3.42Å
1930P35Very low42Very low72 Ų7258.1 Ų58.147%0.46830%0.302SS..  trans-93.3148.7-173.9-9.429.3000118.4I1747 P2006I1747-P1930 VanDerWaalsContact CD1-O 3.23Å; I1747-P1930 WeakPolarHBondContact CD1-O 3.3Å; P1930-P2006 HydrophobicContact CB-CG 4.22Å; P1930-P2006 HydrophobicContact CG-CG 4.28Å
1931I42.6Very low42.1Very low88 Ų8856.3 Ų56.345%0.45129%0.293SS..  trans-110.4156.9-154-74.7174.1000120.3I1747 H1933 V2008I1747-I1931 HydrophobicContact CD1-CG1 3.82Å; I1747-I1931 HydrophobicContact CG2-CB 4.49Å; I1747-I1931 HydrophobicContact CG2-CG1 4.33Å; I1931-H1933 PolarHBondContact O-ND1 2.95Å; I1931-V2008 HydrophobicContact CG2-CG2 4.08Å; I1931-V2008 WeakPolarHBondContact O-CG2 3.43Å
1932V35.3Very low42.1Very low40 Ų4057.3 Ų57.324%0.24230%0.3CS..  trans-33.6119.8164.4-170.20000117I1747 V1748 K1934 V2008I1747-V1932 HydrophobicContact CG2-CB 4.47Å; I1747-V1932 HydrophobicContact CG2-CG2 3.31Å; V1748-V1932 WeakPolarHBondContact O-CG1 3.46Å; V1748-V1932 WeakPolarHBondContact O-CG2 3.35Å; V1932-K1934 HydrophobicContact CG1-CG 4.02Å; V1932-V2008 WeakPolarHBondContact O-CG1 3.25Å; V1932-V2008 WeakPolarHBondContact O-CG2 3.3Å
1933H38.8Very low42.4Very low52 Ų5256.7 Ų56.724%0.24130%0.302CS..  cis69115.114.9-68.592.5000118.2H1749 I1931 V2008 H2009H1749-H1933 WeakPolarHBondContact CA-O 3.41Å; H1749-H1933 HydrophobicContact CB-CB 4.31Å; H1749-H1933 WeakPolarHBondContact CE1-CB 3.24Å; H1749-H1933 AromaticContact CE1-CD2 3.95Å; H1749-H1933 AromaticContact CE1-CG 3.36Å; H1749-H1933 AromaticContact CE1-ND1 3.63Å; H1749-H1933 VanDerWaalsContact CG-CB 3.46Å; H1749-H1933 WeakPolarHBondContact ND1-CB 3.43Å; H1749-H1933 AromaticContact ND1-CG 3.79Å; H1749-H1933 WeakPolarHBondContact NE2-CB 3.32Å; H1749-H1933 AromaticContact NE2-CG 3.74Å; H1749-H1933 AromaticContact NE2-ND1 3.77Å; I1931-H1933 PolarHBondContact O-ND1 2.95Å; H1933-V2008 VanDerWaalsContact N-CG1 3.32Å; H1933-H2009 PolarHBondContact CD2-N 3.02Å; H1933-H2009 PolarHBondContact CD2-O 3.18Å; H1933-H2009 PolarHBondContact CE1-N 2.99Å; H1933-H2009 WeakPolarHBondContact NE2-CB 3.39Å; H1933-H2009 PolarHBondContact NE2-N 3.29Å; H1933-H2009 VanDerWaalsContact NE2-N 3.19Å
1934K39.3Very low42.5Very low107 Ų10756.3 Ų56.347%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-150150.4174.1-63.7-169.1178.6-179.10112.4K1750 V1932 K2010 K2011K1750-K1934 HydrophobicContact CB-CD 4.33Å; K1750-K1934 HydrophobicContact CB-CG 4.35Å; K1750-K1934 CarbonylContact O-C 3.56Å; K1750-K1934 WeakPolarHBondContact O-CA 3.49Å; K1750-K1934 VanDerWaalsContact O-CB 3.23Å; K1750-K1934 WeakPolarHBondContact O-CB 3.47Å; V1932-K1934 HydrophobicContact CG1-CG 4.02Å; K1934-K2010 CarbonylContact O-C 3.53Å; K1934-K2010 VanDerWaalsContact O-CA 3.32Å; K1934-K2010 WeakPolarHBondContact O-CA 3.35Å; K1934-K2011 WeakPolarHBondContact O-CA 3.41Å; K1934-K2011 PolarHBondContact O-N 2.87Å
1935K44.8Very low42.4Very low74 Ų7458.1 Ų58.132%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-125.7166.3173.4-177.6166.8-167.1-171.10113.5K1750 K1751 L1752 K2011 L2012K1750-K1935 PolarHBondContact O-N 2.81Å; K1750-K1935 VanDerWaalsContact O-N 3.08Å; K1751-K1935 CarbonylContact C-O 3.36Å; K1751-K1935 WeakPolarHBondContact CA-O 3.28Å; K1751-K1935 HydrophobicContact CB-CB 4.43Å; K1751-K1935 HydrophobicContact CD-CB 4.38Å; K1751-K1935 HydrophobicContact CD-CG 4.34Å; K1751-K1935 HydrophobicContact CG-CB 3.87Å; K1751-K1935 HydrophobicContact CG-CG 4.2Å; K1751-K1935 WeakPolarHBondContact CG-O 3.39Å; L1752-K1935 PolarHBondContact N-O 3.3Å; K1935-K2011 CarbonylContact C-O 3.57Å; K1935-K2011 WeakPolarHBondContact CA-O 3.49Å; K1935-K2011 HydrophobicContact CB-CB 4.05Å; K1935-K2011 HydrophobicContact CD-CB 3.8Å; K1935-K2011 HydrophobicContact CG-CB 3.71Å; K1935-L2012 WeakPolarHBondContact CE-O 3.48Å
1936L40.1Very low42.6Very low27 Ų2755.4 Ų55.414%0.14130%0.3CS..EExtended strand (participates in β ladder)trans-141.3167.9177.7-88.1139.6000112.6L1752 K2011 L2012 Q2013 R2211L1752-L1936 HydrophobicContact CB-CD2 3.4Å; L1752-L1936 HydrophobicContact CB-CG 4.01Å; L1752-L1936 HydrophobicContact CD1-CD2 4.3Å; L1752-L1936 CarbonylContact O-C 3.15Å; L1752-L1936 VanDerWaalsContact O-C 3.28Å; L1752-L1936 WeakPolarHBondContact O-CA 3.49Å; L1936-K2011 PolarHBondContact N-O 3.36Å; L1936-L2012 HydrophobicContact CB-CB 4.4Å; L1936-L2012 HydrophobicContact CB-CD2 3.32Å; L1936-L2012 HydrophobicContact CB-CG 3.92Å; L1936-L2012 CarbonylContact O-C 3.14Å; L1936-L2012 WeakPolarHBondContact O-CA 3.49Å; L1936-Q2013 PolarHBondContact O-N 2.83Å; L1936-R2211 VanDerWaalsContact CD2-N 3.32Å
1937Q52.2Low42.8Very low61 Ų6154.5 Ų54.529%0.28530%0.303SS..  trans-164.8-177.1176.2-169.7164.6-2000112.8L1752 Q1753 Q2013L1752-Q1937 PolarHBondContact O-N 3.16Å; Q1753-Q1937 VanDerWaalsContact CA-O 3.28Å; Q1753-Q1937 WeakPolarHBondContact CA-O 3.39Å; Q1753-Q1937 HydrophobicContact CB-CB 3.99Å; Q1753-Q1937 VanDerWaalsContact CD-CB 3.45Å; Q1753-Q1937 VanDerWaalsContact CD-CG 3.4Å; Q1753-Q1937 HydrophobicContact CG-CB 3.79Å; Q1753-Q1937 HydrophobicContact CG-CG 4.09Å; Q1753-Q1937 VanDerWaalsContact OE1-CB 3.26Å; Q1753-Q1937 VanDerWaalsContact OE1-CD 3.27Å; Q1937-Q2013 CarbonylContact C-O 3.48Å; Q1937-Q2013 WeakPolarHBondContact CA-O 3.4Å; Q1937-Q2013 HydrophobicContact CB-CB 4.35Å; Q1937-Q2013 HydrophobicContact CG-CB 4.08Å
1938A40.5Very low42.9Very low31 Ų3152.8 Ų52.826%0.25629%0.287SS..  trans-166.9161.9172.800000113.7A1754 A2014 I2015A1754-A1938 CarbonylContact O-C 3.51Å; A1754-A1938 WeakPolarHBondContact O-CA 3.36Å; A1938-A2014 HydrophobicContact CB-CB 4.12Å; A1938-A2014 CarbonylContact O-C 3.37Å; A1938-I2015 PolarHBondContact O-N 3.02Å
1939I46.2Very low42.9Very low17 Ų1754 Ų549%0.08729%0.294CS..  trans-155.3179.1176.8-15.2-176.9000112.1A1754 I1755 I2015 Q2017A1754-I1939 PolarHBondContact O-N 3.18Å; A1754-I1939 VanDerWaalsContact O-O 3.08Å; I1755-I1939 WeakPolarHBondContact CA-O 3.22Å; I1755-I1939 HydrophobicContact CD1-CB 4.01Å; I1755-I1939 HydrophobicContact CD1-CD1 3.51Å; I1755-I1939 HydrophobicContact CD1-CG1 3.67Å; I1755-I1939 HydrophobicContact CG1-CB 3.82Å; I1755-I1939 HydrophobicContact CG1-CD1 4.22Å; I1755-I1939 HydrophobicContact CG1-CG1 3.79Å; I1939-I2015 WeakPolarHBondContact CA-O 3.34Å; I1939-I2015 WeakPolarHBondContact CG2-O 3.36Å; I1939-Q2017 HydrophobicContact CB-CB 4.49Å; I1939-Q2017 HydrophobicContact CB-CG 4.45Å; I1939-Q2017 HydrophobicContact CG2-CB 3.62Å; I1939-Q2017 HydrophobicContact CG2-CG 3.61Å
1940V46.8Very low43.8Very low56 Ų5652.4 Ų52.434%0.33929%0.287SS..  trans-169.7140.3-174.3170.50000114.4V1756 V2016 Q2017V1756-V1940 HydrophobicContact CB-CB 4.2Å; V1756-V1940 HydrophobicContact CB-CG1 3.8Å; V1756-V1940 HydrophobicContact CB-CG2 4.49Å; V1756-V1940 HydrophobicContact CG1-CG1 4.06Å; V1756-V1940 HydrophobicContact CG2-CB 4.25Å; V1756-V1940 HydrophobicContact CG2-CG1 4.04Å; V1756-V1940 HydrophobicContact CG2-CG2 3.99Å; V1940-V2016 HydrophobicContact CB-CB 4.3Å; V1940-V2016 HydrophobicContact CB-CG1 4.17Å; V1940-V2016 HydrophobicContact CB-CG2 3.93Å; V1940-V2016 HydrophobicContact CG2-CG2 4.1Å; V1940-Q2017 CarbonylContact O-C 3.6Å; V1940-Q2017 WeakPolarHBondContact O-CA 3.3Å; V1940-Q2017 WeakPolarHBondContact O-CB 3.41Å; V1940-Q2017 PolarHBondContact O-N 3.22Å; V1940-Q2017 VanDerWaalsContact O-O 3.07Å
1941Q42.5Very low44.3Very low37 Ų3751.7 Ų51.717%0.17328%0.281CS..  trans-132.7172.7-167.4-36.4134.1-75.900120.6I1755 V1756 Q1757 Q2017 P2018I1755-Q1941 HydrophobicContact CG2-CG 4.01Å; V1756-Q1941 CarbonylContact O-C 3.51Å; V1756-Q1941 WeakPolarHBondContact O-CA 3.1Å; V1756-Q1941 WeakPolarHBondContact O-CB 3.36Å; V1756-Q1941 WeakPolarHBondContact O-CG 3.12Å; V1756-Q1941 PolarHBondContact O-N 3.42Å; V1756-Q1941 VanDerWaalsContact O-O 3.06Å; V1756-Q1941 PolarHBondContact O-OE1 3.47Å; Q1757-Q1941 HydrophobicContact CB-CB 3.96Å; Q1757-Q1941 HydrophobicContact CB-CG 4.5Å; Q1941-Q2017 HydrophobicContact CB-CB 4.38Å; Q1941-Q2017 HydrophobicContact CG-CB 3.73Å; Q1941-Q2017 HydrophobicContact CG-CG 4.01Å; Q1941-Q2017 VanDerWaalsContact CG-OE1 3.26Å; Q1941-P2018 WeakPolarHBondContact CB-O 3.44Å
1942P48.9Very low44.9Very low50 Ų5049.2 Ų49.233%0.32527%0.268SS..  trans-124.20173.8-4.431000120P1758 P2019P1758-P1942 WeakPolarHBondContact CD-O 3.4Å; P1942-P2019 HydrophobicContact CB-CG 4.38Å; P1942-P2019 VanDerWaalsContact O-CA 3.31Å; P1942-P2019 WeakPolarHBondContact O-CA 3.36Å
1943P48.6Very low45.6Very low76 Ų7649.8 Ų49.849%0.49427%0.272SS..  0-179.9039.8-42.5000126P1758P1758-P1943 HydrophobicContact CB-CB 3.92Å; P1758-P1943 HydrophobicContact CG-CB 3.99Å
1944T49.6Very low46Very low18 Ų1849.7 Ų49.711%0.1127%0.272CS..  trans-142.8177.4-152.7-36.50000120.3P1758 P1759 T1760 T2020 N2022P1758-T1944 PolarHBondContact O-OG1 2.98Å; P1759-T1944 CarbonylContact O-C 3.08Å; P1759-T1944 VanDerWaalsContact O-CA 3.28Å; P1759-T1944 WeakPolarHBondContact O-CA 3.26Å; P1759-T1944 VanDerWaalsContact O-CB 3.23Å; P1759-T1944 WeakPolarHBondContact O-CB 3.47Å; P1759-T1944 PolarHBondContact O-N 3.41Å; T1760-T1944 VanDerWaalsContact OG1-CG2 3.25Å; T1760-T1944 WeakPolarHBondContact OG1-CG2 3.29Å; T1944-T2020 VanDerWaalsContact CA-O 3.22Å; T1944-T2020 WeakPolarHBondContact CA-O 3.43Å; T1944-T2020 PolarHBondContact OG1-OG1 3.14Å; T1944-N2022 WeakPolarHBondContact CG2-OD1 3.49Å
1945I43.6Very low46.6Very low91 Ų9148.4 Ų48.447%0.46726%0.264SS..  trans-162.20174.1-26168.6000116.8T1760 I1761 I2021 N2022T1760-I1945 WeakPolarHBondContact OG1-CA 3.26Å; T1760-I1945 PolarHBondContact OG1-N 2.8Å; T1760-I1945 PolarHBondContact OG1-O 3.16Å; I1761-I1945 HydrophobicContact CD1-CG2 4.46Å; I1761-I1945 HydrophobicContact CG1-CG2 4.16Å; I1945-I2021 HydrophobicContact CB-CG2 3.92Å; I1945-I2021 HydrophobicContact CD1-CG2 4.31Å; I1945-I2021 HydrophobicContact CG1-CG2 3.98Å; I1945-N2022 CarbonylContact O-C 3.21Å; I1945-N2022 WeakPolarHBondContact O-CA 3.47Å; I1945-N2022 PolarHBondContact O-N 3.34Å
1946N47.7Very low46.7Very low8 Ų847.6 Ų47.64%0.04327%0.266CS..  0-170.50-68.920.7000119.3T1760 I1761 N2022 E2024 E2100T1760-N1946 HydrophobicContact CG2-CB 3.41Å; T1760-N1946 VanDerWaalsContact CG2-CB 3.41Å; T1760-N1946 WeakPolarHBondContact CG2-OD1 3.19Å; T1760-N1946 PolarHBondContact OG1-OD1 3.48Å; I1761-N1946 CarbonylContact O-C 3.25Å; I1761-N1946 WeakPolarHBondContact O-CA 3.48Å; I1761-N1946 WeakPolarHBondContact O-CB 3.36Å; N1946-N2022 WeakPolarHBondContact CA-O 3.25Å; N1946-N2022 VanDerWaalsContact OD1-C 3.27Å; N1946-N2022 VanDerWaalsContact OD1-CA 3.3Å; N1946-N2022 WeakPolarHBondContact OD1-CA 3.46Å; N1946-N2022 WeakPolarHBondContact OD1-CB 3.37Å; N1946-N2022 PolarHBondContact OD1-ND2 3.14Å; N1946-E2024 HydrophobicContact CB-CG 4.13Å; N1946-E2024 WeakPolarHBondContact ND2-CG 3.28Å; N1946-E2024 PolarHBondContact ND2-OE1 3.34Å; N1946-E2100 PolarHBondContact ND2-OE1 2.86Å
1947T41.8Very low46.7Very low73 Ų7348.7 Ų48.745%0.44828%0.275SS..  trans-174.3171.2-179.5-73.20000115.1E2024T1947-E2024 CarbonylContact O-C 3.35Å; T1947-E2024 WeakPolarHBondContact O-CA 3.29Å; T1947-E2024 WeakPolarHBondContact O-CB 3.18Å; T1947-E2024 WeakPolarHBondContact O-CG 3.38Å; T1947-E2024 PolarHBondContact O-N 3.47Å
1948E40.4Very low46.4Very low26 Ų2649.1 Ų49.112%0.12128%0.283CS..  trans-149.7-175.8-173.2-45.4-176.7-14300122.2N1762 T1763 E2024N1762-E1948 WeakPolarHBondContact CB-OE1 3.49Å; N1762-E1948 PolarHBondContact ND2-OE1 3.11Å; T1763-E1948 HydrophobicContact CG2-CB 3.97Å; T1763-E1948 VanDerWaalsContact N-CD 3.33Å; T1763-E1948 PolarHBondContact N-OE1 3.12Å; E1948-E2024 HydrophobicContact CG-CB 4.08Å; E1948-E2024 HydrophobicContact CG-CG 4.32Å
1949T42.6Very low46.5Very low66 Ų6650.6 Ų50.641%0.40529%0.289SS..  trans-172.4179.4-177.7-76.80000114.7T2025 Q2026T1949-T2025 HydrophobicContact CG2-CG2 4.35Å; T1949-T2025 CarbonylContact O-C 3.45Å; T1949-Q2026 VanDerWaalsContact O-CA 3.31Å; T1949-Q2026 WeakPolarHBondContact O-CA 3.49Å; T1949-Q2026 WeakPolarHBondContact O-CB 3.35Å; T1949-Q2026 PolarHBondContact O-N 3.38Å
1950Q52.8Low46.6Very low31 Ų3156 Ų5615%0.14532%0.316CS..  trans-158.4176177.4-150.5-162.693.900120.2T1765 Q1766 Q2026T1765-Q1950 VanDerWaalsContact CB-N 3.32Å; T1765-Q1950 HydrophobicContact CG2-CB 3.93Å; T1765-Q1950 VanDerWaalsContact CG2-N 3.31Å; T1765-Q1950 WeakPolarHBondContact O-CB 3.49Å; T1765-Q1950 PolarHBondContact O-NE2 2.97Å; T1765-Q1950 PolarHBondContact O-OE1 3.29Å; Q1766-Q1950 VanDerWaalsContact CA-OE1 3.28Å; Q1766-Q1950 VanDerWaalsContact CG-OE1 3.27Å; Q1950-Q2026 CarbonylContact C-O 3.23Å; Q1950-Q2026 VanDerWaalsContact CA-C 3.48Å; Q1950-Q2026 VanDerWaalsContact CA-O 3.25Å; Q1950-Q2026 WeakPolarHBondContact CA-O 3.4Å; Q1950-Q2026 HydrophobicContact CB-CB 3.9Å; Q1950-Q2026 HydrophobicContact CG-CB 3.7Å; Q1950-Q2026 HydrophobicContact CG-CG 3.79Å
1951T45.5Very low46.5Very low57 Ų5756.7 Ų56.735%0.3532%0.318SS..  trans-169.2-175.8173-83.40000116.4T1767 T2027 M2028T1767-T1951 WeakPolarHBondContact OG1-CA 3.14Å; T1767-T1951 PolarHBondContact OG1-OG1 2.91Å; T1951-T2027 WeakPolarHBondContact CB-OG1 2.87Å; T1951-T2027 HydrophobicContact CG2-CG2 3.99Å; T1951-T2027 CarbonylContact O-C 3.58Å; T1951-T2027 WeakPolarHBondContact O-CA 3.28Å; T1951-M2028 WeakPolarHBondContact O-CB 3.38Å; T1951-M2028 PolarHBondContact O-N 3.15Å
1952M53.8Low46.7Very low35 Ų3556.9 Ų56.917%0.17232%0.322CS..  trans-161.1160.7-174.8-161.8-136.4104.900119.7T1767 M1768 V1769 M2028T1767-M1952 WeakPolarHBondContact O-CB 3.4Å; M1768-M1952 CarbonylContact C-O 3.07Å; M1768-M1952 WeakPolarHBondContact CA-O 3.34Å; M1768-M1952 HydrophobicContact CB-CE 4.47Å; M1768-M1952 HydrophobicContact CB-SD 4.3Å; M1768-M1952 HydrophobicContact CG-CE 3.69Å; M1768-M1952 HydrophobicContact CG-SD 3.82Å; V1769-M1952 WeakPolarHBondContact CG2-O 3.33Å; M1952-M2028 CarbonylContact C-O 3.44Å; M1952-M2028 WeakPolarHBondContact CA-O 3.17Å; M1952-M2028 HydrophobicContact CB-CB 3.85Å; M1952-M2028 HydrophobicContact CG-CB 3.6Å; M1952-M2028 HydrophobicContact CG-CE 3.64Å; M1952-M2028 HydrophobicContact CG-CG 4.31Å; M1952-M2028 HydrophobicContact CG-SD 3.94Å; M1952-M2028 HydrophobicContact SD-CE 4.24Å
1953V51.2Low46.4Very low53 Ų5357.8 Ų57.832%0.32133%0.328SS..  trans-152.7168.4-178-171.40000117.4V1769 M2028 V2029 E2030V1769-V1953 HydrophobicContact CB-CB 4.5Å; V1769-V1953 HydrophobicContact CB-CG1 4.15Å; V1769-V1953 HydrophobicContact CG2-CB 4.08Å; V1769-V1953 HydrophobicContact CG2-CG1 4.07Å; V1769-V1953 HydrophobicContact CG2-CG2 3.83Å; V1953-M2028 PolarHBondContact N-O 2.99Å; V1953-V2029 HydrophobicContact CB-CB 4.11Å; V1953-V2029 HydrophobicContact CB-CG1 3.94Å; V1953-V2029 HydrophobicContact CB-CG2 3.85Å; V1953-V2029 HydrophobicContact CG1-CG1 4.23Å; V1953-V2029 HydrophobicContact CG2-CG2 3.96Å; V1953-V2029 CarbonylContact O-C 3.5Å; V1953-V2029 WeakPolarHBondContact O-CA 3.15Å; V1953-E2030 PolarHBondContact O-N 3.46Å
1954E46.8Very low46.1Very low50 Ų5058.5 Ų58.523%0.23432%0.323CS..  trans-122.3-169.9-168.8-139.9-147.5108.400120.6V1769 R1771V1769-E1954 WeakPolarHBondContact O-CB 3.21Å; R1771-E1954 IonicContact CZ-OE1 3.56Å; R1771-E1954 VanDerWaalsContact CZ-OE1 3.23Å; R1771-E1954 IonicContact NE-OE1 3.47Å; R1771-E1954 PolarHBondContact NE-OE1 3.37Å; R1771-E1954 IonicContact NH2-OE1 2.65Å; R1771-E1954 PolarHBondContact NH2-OE1 2.68Å
1955R52.7Low45.8Very low79 Ų7961.6 Ų61.630%0.29834%0.342SS..  trans-118.5145.2-151.3177.5-170.3-45.9-127.76.7121R1771 E2030 R2031 E2106R1771-R1955 WeakPolarHBondContact CG-O 3.35Å; R1771-R1955 PolarHBondContact NE-O 2.81Å; R1955-E2030 HydrophobicContact CB-CB 4.44Å; R1955-E2030 WeakPolarHBondContact CB-OE2 3.22Å; R1955-E2030 IonicContact CZ-OE2 3.38Å; R1955-E2030 IonicContact NE-OE2 3.83Å; R1955-E2030 PolarHBondContact NE-OE2 3.4Å; R1955-E2030 IonicContact NH2-OE1 2.79Å; R1955-E2030 PolarHBondContact NH2-OE1 3.34Å; R1955-E2030 IonicContact NH2-OE2 2.72Å; R1955-E2030 PolarHBondContact NH2-OE2 3.22Å; R1955-R2031 WeakPolarHBondContact CD-O 3.49Å; R1955-R2031 WeakPolarHBondContact CG-O 3.36Å; R1955-R2031 PolarHBondContact NE-O 3.27Å; R1955-R2031 VanDerWaalsContact NE-O 3.14Å; R1955-R2031 PolarHBondContact NH1-O 3.49Å; R1955-E2106 IonicContact NH2-OE2 3.47Å
1956P46.1Very low45.7Very low57 Ų5760.1 Ų60.137%0.3733%0.332SS..  trans-109.5174.7174.441.7-35.7000118.6P2032 P2033P1956-P2032 HydrophobicContact CG-CB 4.4Å; P1956-P2032 HydrophobicContact CG-CG 4.41Å; P1956-P2033 VanDerWaalsContact O-CD 3.23Å; P1956-P2033 WeakPolarHBondContact O-CD 3.17Å
1957P40.7Very low45.2Very low50 Ų5063.8 Ų63.833%0.32535%0.352SS..  trans-100.6170.2-170.639-37.3000118.7P1774P1774-P1957 HydrophobicContact CB-CB 3.88Å; P1774-P1957 HydrophobicContact CB-CG 3.73Å; P1774-P1957 HydrophobicContact CG-CB 3.86Å; P1774-P1957 HydrophobicContact CG-CG 3.87Å
1958P45.2Very low45.1Very low70 Ų7063.3 Ų63.346%0.45535%0.349SS..  trans-92.4167.5-168.433.4-32.8000117.8P2033P1958-P2033 HydrophobicContact CB-CB 3.98Å; P1958-P2033 HydrophobicContact CB-CG 3.58Å; P1958-P2033 HydrophobicContact CG-CB 4.45Å; P1958-P2033 HydrophobicContact CG-CG 4.05Å
1959V43.8Very low45Very low63 Ų6366.6 Ų66.638%0.38236%0.364SS..  trans-136.7141.6176.9-179.30000111.4
1960I47.6Very low44.8Very low130 Ų13066.4 Ų66.467%0.66736%0.363SS*.  trans-120.3139.2177.5-60.4174.8000109.8
1961L44.4Very low43.7Very low70 Ų7071.3 Ų71.337%0.36639%0.386SS..  trans-124.3135.9180-68.6174.1000112.3L2037 P2038L1961-L2037 HydrophobicContact CB-CD2 4.3Å; L1961-L2037 HydrophobicContact CD1-CD2 3.98Å; L1961-P2038 WeakPolarHBondContact O-CD 3.43Å; L1961-P2038 WeakPolarHBondContact O-CG 3.21Å
1962P46.3Very low43.4Very low42 Ų4271 Ų7127%0.27339%0.386SS..  trans-88.3167.1-174.332.9-35.4000115.2P1779P1779-P1962 VanDerWaalsContact CA-CG 3.45Å; P1779-P1962 HydrophobicContact CB-CB 4.04Å; P1779-P1962 HydrophobicContact CB-CG 4.1Å; P1779-P1962 HydrophobicContact CG-CB 3.71Å; P1779-P1962 HydrophobicContact CG-CG 3.99Å
1963P42.8Very low42.5Very low69 Ų6970.9 Ų70.945%0.44839%0.394SS..  trans-65.1158-177-1729.2000114.5P2038P1963-P2038 HydrophobicContact CB-CB 4.01Å; P1963-P2038 HydrophobicContact CB-CG 4.12Å; P1963-P2038 HydrophobicContact CG-CB 3.72Å; P1963-P2038 HydrophobicContact CG-CG 3.87Å; P1963-P2038 VanDerWaalsContact N-CG 3.28Å
1964K42.3Very low41.8Very low90 Ų9071.8 Ų71.839%0.39140%0.4SS..  trans-131.7107.8161.4-69.2-167.5176-170.70108.9F1966K1964-F1966 HydrophobicContact CB-CE2 3.76Å; K1964-F1966 HydrophobicContact CB-CZ 4.21Å; K1964-F1966 HydrophobicContact CD-CE2 4.4Å; K1964-F1966 HydrophobicContact CD-CZ 4.17Å
1965V44.4Very low41.1Very low83 Ų8372.1 Ų72.150%0.50341%0.405SS..  trans-86.8147.7167.8-176.90000107.8
1966F40.9Very low40.4Very low60 Ų6071 Ų7126%0.26341%0.407SS..EExtended strand (participates in β ladder)trans-137.3112.1170.1-64.3-86.4000107.6K1964 F2042K1964-F1966 HydrophobicContact CB-CE2 3.76Å; K1964-F1966 HydrophobicContact CB-CZ 4.21Å; K1964-F1966 HydrophobicContact CD-CE2 4.4Å; K1964-F1966 HydrophobicContact CD-CZ 4.17Å; F1966-F2042 HydrophobicContact CB-CD1 3.87Å; F1966-F2042 HydrophobicContact CB-CE1 3.88Å; F1966-F2042 HydrophobicContact CD2-CD1 4.35Å; F1966-F2042 AromaticContact CD2-CE1 3.57Å; F1966-F2042 HydrophobicContact CD2-CE1 3.57Å; F1966-F2042 AromaticContact CD2-CZ 3.98Å; F1966-F2042 HydrophobicContact CD2-CZ 3.98Å; F1966-F2042 HydrophobicContact CE2-CE1 4.4Å; F1966-F2042 HydrophobicContact CG-CD1 4.47Å; F1966-F2042 AromaticContact CG-CE1 3.96Å; F1966-F2042 HydrophobicContact CG-CE1 3.96Å
1967D37.3Very low39.9Very low86 Ų8671.6 Ų71.646%0.4641%0.406SS..EExtended strand (participates in β ladder)trans-101.7126.9171.9-162.8-22.5000107.3
1968V38.6Very low39.7Very low63 Ų6372.7 Ų72.738%0.38241%0.41SS..  trans-141.573.3-172.4-169.20000110D2043V1968-D2043 PolarHBondContact N-O 3.11Å
1969Q38.3Very low39.4Very low94 Ų9471.3 Ų71.344%0.43940%0.401SS..  trans-69.7132.9167.6-65.6-173.9-2500110.4
1970T38.6Very low39Very low63 Ų6374.8 Ų74.839%0.38741%0.414SS..BIsolated β-bridgetrans-133.8115.8170.142.30000110.3Q2045 T2046T1970-Q2045 PolarHBondContact N-O 3.4Å; T1970-T2046 VanDerWaalsContact OG1-CG2 3.27Å; T1970-T2046 WeakPolarHBondContact OG1-CG2 3.19Å
1971Q31.3Very low38.5Very low134 Ų13472.7 Ų72.763%0.62641%0.407SS*.  trans-105.9147.2-176.5-69-175.1-5.200111.9F1896F1896-Q1971 WeakPolarHBondContact CE1-O 3.23Å
1972S38.7Very low38.1Very low50 Ų5074.2 Ų74.235%0.3541%0.412SS..  trans-97.3151.3-175.4540000114.5Q2047 S2048 G2049S1972-Q2047 WeakPolarHBondContact CB-O 3.33Å; S1972-S2048 VanDerWaalsContact OG-C 3.26Å; S1972-G2049 PolarHBondContact OG-N 3.44Å
1973G34.2Very low37.6Very low33 Ų3375.9 Ų75.934%0.3442%0.422SS..  trans-106.2164.6164.800000113
1974T37.3Very low37.2Very low72 Ų7274.5 Ų74.544%0.44241%0.413SS..  trans-85.6143.6172.7-63.40000110.9T2050T1974-T2050 WeakPolarHBondContact CA-O 3.42Å; T1974-T2050 PolarHBondContact OG1-OG1 2.95Å
1975V31.9Very low36.9Very low57 Ų5774.8 Ų74.835%0.34542%0.415SS..EExtended strand (participates in β ladder)trans-124.4116.5174.8177.10000110I1977 T2050 V2051 T2052V1975-I1977 HydrophobicContact CG1-CD1 3.83Å; V1975-I1977 HydrophobicContact CG1-CG1 3.88Å; V1975-T2050 PolarHBondContact N-O 3.21Å; V1975-V2051 HydrophobicContact CB-CG2 4.48Å; V1975-V2051 WeakPolarHBondContact O-CA 3.47Å; V1975-T2052 PolarHBondContact O-N 3.32Å
1976T38.7Very low36.3Very low54 Ų5473.7 Ų73.733%0.33141%0.405SS..EExtended strand (participates in β ladder)trans-108.3120.7173.8-56.60000109.1T2052T1976-T2052 WeakPolarHBondContact CA-O 3.41Å
1977I35.4Very low36Very low70 Ų7074.7 Ų74.736%0.35941%0.41SS..EExtended strand (participates in β ladder)trans-125.6104.7176.6-62167.8000107.5V1975 S1979 T2052 I2053 N2054V1975-I1977 HydrophobicContact CG1-CD1 3.83Å; V1975-I1977 HydrophobicContact CG1-CG1 3.88Å; I1977-S1979 WeakPolarHBondContact CG2-OG 3.48Å; I1977-T2052 PolarHBondContact N-O 2.84Å; I1977-I2053 WeakPolarHBondContact O-CA 3.43Å; I1977-N2054 PolarHBondContact O-N 2.96Å
1978N36.1Very low35.9Very low74 Ų7473.6 Ų73.640%0.39640%0.4SS..EExtended strand (participates in β ladder)trans-86.8130.6166-67-12.8000107.7N2054N1978-N2054 PolarHBondContact OD1-ND2 3.03Å
1979S38Very low35.6Very low40 Ų4072.9 Ų72.928%0.2840%0.396SS..  trans-151.194179-69.40000109.8I1977 N2054 S2055I1977-S1979 WeakPolarHBondContact CG2-OG 3.48Å; S1979-N2054 PolarHBondContact N-O 3.45Å; S1979-S2055 WeakPolarHBondContact O-CA 3.3Å; S1979-S2055 WeakPolarHBondContact O-CB 3.4Å; S1979-S2055 PolarHBondContact O-OG 2.73Å
1980E35.1Very low35.3Very low137 Ų13773 Ų7364%0.6440%0.399SS*.  trans-76.9136.6170.4-67.9157.6-144.200109.6
1981T38.2Very low35.2Very low85 Ų8572.3 Ų72.352%0.52139%0.392SS..  trans-148.799.7176.5-620000110.3
1982Q35.2Very low35.6Very low102 Ų10269.7 Ų69.748%0.47738%0.38SS..  trans-91.4114.2-179.5-166.417934.100110.7
1983T36Very low36.1Very low78 Ų7868.5 Ų68.548%0.47937%0.37SS..PPolyproline II helixtrans-103127.4-175.7-35.20000110.2
1984P34.9Very low36.5Very low39 Ų3969.6 Ų69.625%0.25337%0.366SS..PPolyproline II helixtrans-85.7171.7-170.432.1-34.4000115.1
1985Q36.7Very low36.8Very low96 Ų9669.2 Ų69.245%0.44936%0.361SS..PPolyproline II helixtrans-73.2124.5-174.9-69.4173.6-40.700114.8P2060Q1985-P2060 HydrophobicContact CB-CB 3.98Å; Q1985-P2060 HydrophobicContact CG-CB 3.49Å; Q1985-P2060 VanDerWaalsContact CG-CB 3.49Å
1986E31.2Very low37.3Very low61 Ų6170 Ų7029%0.28536%0.363SS..PPolyproline II helixtrans-100.9151161.9-60.1-166.714600110.2R1804R1804-E1986 IonicContact CZ-OE1 3.02Å; R1804-E1986 IonicContact NH1-OE1 3.81Å; R1804-E1986 PolarHBondContact NH1-OE1 3.43Å; R1804-E1986 IonicContact NH1-OE2 3.42Å; R1804-E1986 PolarHBondContact NH1-OE2 2.74Å
1987H34.3Very low37.9Very low80 Ų8068.3 Ų68.337%0.3735%0.352SS..  trans-148.478.8-169.5-96.729.3000112.6Q2061H1987-Q2061 PolarHBondContact CE1-O 2.89Å; H1987-Q2061 VanDerWaalsContact CE1-O 3.25Å; H1987-Q2061 PolarHBondContact ND1-O 3.21Å
1988R36.3Very low38.4Very low64 Ų6467.5 Ų67.524%0.24235%0.35CS..  trans-138.6155.5-160.4-53.9-123.9129.1-78.61.6116.7Q1911 K1912 T1913Q1911-R1988 PolarHBondContact O-NH2 3.49Å; K1912-R1988 WeakPolarHBondContact O-CD 3.18Å; K1912-R1988 PolarHBondContact O-NE 2.69Å; K1912-R1988 VanDerWaalsContact O-NE 3.09Å; T1913-R1988 WeakPolarHBondContact O-CD 3.33Å
1989P31.7Very low38.8Very low47 Ų4766.4 Ų66.431%0.30534%0.343SS..  trans-99.7-149.2-148.6-730.7000119.4V1914V1914-P1989 HydrophobicContact CG1-CB 3.93Å; V1914-P1989 HydrophobicContact CG1-CG 4.3Å; V1914-P1989 HydrophobicContact CG2-CB 4.06Å; V1914-P1989 VanDerWaalsContact CG2-CD 3.46Å; V1914-P1989 HydrophobicContact CG2-CG 3.63Å
1990I32.1Very low39.1Very low98 Ų9867 Ų6750%0.50334%0.341SS..  trans-88.7152.1-141.9-36.4-161.2000115.4V1915 P2065 I2066V1915-I1990 VanDerWaalsContact O-O 3.09Å; I1990-P2065 HydrophobicContact CB-CB 4.1Å; I1990-P2065 HydrophobicContact CB-CG 4.19Å; I1990-P2065 HydrophobicContact CD1-CB 4.06Å; I1990-P2065 HydrophobicContact CG1-CB 3.65Å; I1990-P2065 HydrophobicContact CG1-CG 3.82Å; I1990-P2065 HydrophobicContact CG2-CB 4.08Å; I1990-I2066 WeakPolarHBondContact CG2-O 3.39Å
1991I36.6Very low39.5Very low48 Ų4863.4 Ų63.425%0.24632%0.324CS..  trans-138.4135.8-175.5-42.2-173.4000111.7V1917 V1993 I2067V1917-I1991 HydrophobicContact CG2-CG2 4.08Å; I1991-V1993 HydrophobicContact CG2-CG2 4.14Å; I1991-I2067 WeakPolarHBondContact O-CA 3.49Å
1992E39.3Very low39.5Very low78 Ų7863.8 Ų63.836%0.36432%0.319SS..  trans-129.1139.1174.7-167.5-165.2144.300110.9K1994E1992-K1994 IonicContact OE1-NZ 3.43Å; E1992-K1994 PolarHBondContact OE1-NZ 2.89Å
1993V48.3Very low39.7Very low25 Ų2566.4 Ų66.415%0.15232%0.324CS..  trans-147.1149.7-168.5-164.80000110.9V1917 I1991V1917-V1993 HydrophobicContact CB-CG2 4.08Å; V1917-V1993 WeakPolarHBondContact O-CA 3.22Å; I1991-V1993 HydrophobicContact CG2-CG2 4.14Å
1994K43.1Very low40.1Very low56 Ų5665 Ų6524%0.24332%0.316CS..  trans-129.3159.9-176.2-65.5179.418062.60114.1D1919 E1992D1919-K1994 WeakPolarHBondContact CA-O 3.4Å; D1919-K1994 PolarHBondContact N-O 3.48Å; E1992-K1994 IonicContact OE1-NZ 3.43Å; E1992-K1994 PolarHBondContact OE1-NZ 2.89Å
1995D44.1Very low40.3Very low65 Ų6566.2 Ų66.235%0.34832%0.319SS..  trans47.9131162.4-49.8-13.8000121.1M1920M1920-D1995 PolarHBondContact N-O 3.49Å
1996L43Very low40.3Very low73 Ų7365 Ų6538%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-154.8132.7-172.4-172.779.4000113.7M1920 D2071 L2072M1920-L1996 HydrophobicContact CB-CD1 3.56Å; M1920-L1996 WeakPolarHBondContact O-CA 3.4Å; L1996-D2071 PolarHBondContact N-O 3.15Å; L1996-L2072 HydrophobicContact CB-CD1 4.22Å; L1996-L2072 HydrophobicContact CD2-CD1 3.97Å; L1996-L2072 HydrophobicContact CG-CD1 4.33Å; L1996-L2072 WeakPolarHBondContact O-CA 3.48Å
1997I50.4Low40.7Very low19 Ų1966.5 Ų66.510%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-146.1163.8-170.1-37.586.1000115.3D1053 T1921 M1922 I2073D1053-I1997 HydrophobicContact CB-CB 3.89Å; D1053-I1997 HydrophobicContact CB-CG2 4.01Å; T1921-I1997 HydrophobicContact CG2-CD1 4.16Å; M1922-I1997 PolarHBondContact N-O 3.39Å; I1997-I2073 HydrophobicContact CB-CD1 4.28Å; I1997-I2073 HydrophobicContact CG1-CD1 3.68Å; I1997-I2073 HydrophobicContact CG2-CB 3.76Å; I1997-I2073 HydrophobicContact CG2-CD1 3.6Å; I1997-I2073 HydrophobicContact CG2-CG1 4.26Å; I1997-I2073 WeakPolarHBondContact CG2-O 3.45Å
1998T45.3Very low40.9Very low53 Ų5364.2 Ų64.233%0.32532%0.32SS..  trans-149161.1171.3-57.80000117.8D1053 M1922 I2073 T2074D1053-T1998 VanDerWaalsContact CB-CA 3.47Å; M1922-T1998 WeakPolarHBondContact O-CA 3.23Å; M1922-T1998 WeakPolarHBondContact O-CB 3.3Å; M1922-T1998 WeakPolarHBondContact O-CG2 3.37Å; M1922-T1998 PolarHBondContact O-OG1 2.87Å; T1998-I2073 PolarHBondContact N-O 3.42Å; T1998-I2073 VanDerWaalsContact N-O 3.1Å; T1998-T2074 VanDerWaalsContact O-CA 3.28Å; T1998-T2074 WeakPolarHBondContact O-CA 3.45Å
1999Q44.3Very low41.1Very low51 Ų5163.4 Ų63.424%0.23832%0.319CS..  trans-152.7158.3171.7-59.3-171.1-1.500116.1N1052 D1053 Q1923 H1924N1052-Q1999 VanDerWaalsContact C-NE2 3.27Å; N1052-Q1999 PolarHBondContact O-NE2 3.42Å; D1053-Q1999 HydrophobicContact CB-CG 4.34Å; Q1923-Q1999 HydrophobicContact CG-CB 3.9Å; H1924-Q1999 PolarHBondContact N-O 3.07Å
2000H44.9Very low41.4Very low52 Ų5265.8 Ų65.824%0.24132%0.324CS..  trans-161140.1177.4176.5-77.1000118.5H1924 Q2075 H2076H1924-H2000 AromaticContact ND1-CD2 3.84Å; H1924-H2000 WeakPolarHBondContact O-CA 3.37Å; H1924-H2000 VanDerWaalsContact O-CB 3.28Å; H1924-H2000 WeakPolarHBondContact O-CB 2.83Å; H1924-H2000 PolarHBondContact O-CD2 3.49Å; H2000-Q2075 PolarHBondContact N-O 3.23Å; H2000-Q2075 VanDerWaalsContact N-O 3.14Å; H2000-H2076 AromaticContact CE1-NE2 3.53Å; H2000-H2076 AromaticContact ND1-CD2 3.34Å; H2000-H2076 PolarHBondContact ND1-CD2 3.21Å; H2000-H2076 VanDerWaalsContact ND1-CD2 3.34Å; H2000-H2076 AromaticContact ND1-CE1 3.84Å; H2000-H2076 AromaticContact ND1-NE2 3.07Å; H2000-H2076 PolarHBondContact ND1-NE2 3.36Å; H2000-H2076 WeakPolarHBondContact O-CA 3.36Å; H2000-H2076 WeakPolarHBondContact O-CB 3.45Å; H2000-H2076 PolarHBondContact O-CD2 3.36Å; H2000-H2076 PolarHBondContact O-ND1 3.32Å
2001E43.2Very low42.1Very low61 Ų6164.7 Ų64.729%0.28532%0.316SS..  trans-132.9160.3177.9-154.5-137.6131.600115.3H1925 E2077H1925-E2001 VanDerWaalsContact CE1-CB 3.41Å; H1925-E2001 WeakPolarHBondContact CE1-CB 3.14Å; H1925-E2001 IonicContact CE1-OE2 3.77Å; E2001-E2077 HydrophobicContact CG-CB 3.96Å
2002K39.6Very low42.1Very low94 Ų9463.4 Ų63.441%0.40931%0.309SS..BIsolated β-bridgetrans-152.9134.8-174.8-155.4169.7-173.7174.70116.5
2003R39.3Very low42.7Very low156 Ų15661 Ų6159%0.58930%0.298SS*.  trans-119.8159.5-170.3-145.8-179.7-162.6111.5-8.6114.1P1928P1928-R2003 WeakPolarHBondContact CD-O 3.17Å; P1928-R2003 WeakPolarHBondContact CG-O 3.13Å
2004P43Very low42.2Very low49 Ų4961.2 Ų61.232%0.31830%0.302SS..  trans-118.3-167176.4-7.132.1000118.3R2079 E2081P2004-R2079 WeakPolarHBondContact CD-O 3.18Å; P2004-R2079 WeakPolarHBondContact CG-O 3.21Å; P2004-E2081 HydrophobicContact CB-CG 3.75Å; P2004-E2081 WeakPolarHBondContact CB-OE1 3.44Å
2005E39.9Very low42.4Very low65 Ų6561.4 Ų61.430%0.30431%0.306SS..  trans-121142.9-150.5-62170.5-178.600117.6P1928 E1929 E2081P1928-E2005 HydrophobicContact CB-CG 3.88Å; P1928-E2005 WeakPolarHBondContact CB-OE1 3.29Å; E1929-E2005 PolarHBondContact N-OE1 3.42Å; E2005-E2081 PolarHBondContact N-OE1 3.25Å; E2005-E2081 WeakPolarHBondContact O-CG 3.42Å
2006P36.1Very low42.5Very low71 Ų7160.9 Ų60.946%0.46130%0.304SS..  trans-100.8164.7177.837.1-36.3000117.4P1930P1930-P2006 HydrophobicContact CB-CG 4.22Å; P1930-P2006 HydrophobicContact CG-CG 4.28Å
2007I39.8Very low42.4Very low91 Ų9157.8 Ų57.847%0.46729%0.288SS..  trans-111.2158.5-152.8-42.7175.8000117.3P2082 V2084I2007-P2082 WeakPolarHBondContact CD1-O 3.45Å; I2007-P2082 WeakPolarHBondContact CG1-O 3.47Å; I2007-V2084 HydrophobicContact CB-CG2 3.63Å; I2007-V2084 HydrophobicContact CG2-CG2 3.48Å; I2007-V2084 VanDerWaalsContact CG2-CG2 3.48Å
2008V38.3Very low42.3Very low33 Ų3357.2 Ų57.220%0.229%0.286CS..  trans-60.1135.1-167.5171.20000120.8I1931 V1932 H1933 K2010 V2084I1931-V2008 HydrophobicContact CG2-CG2 4.08Å; I1931-V2008 WeakPolarHBondContact O-CG2 3.43Å; V1932-V2008 WeakPolarHBondContact O-CG1 3.25Å; V1932-V2008 WeakPolarHBondContact O-CG2 3.3Å; H1933-V2008 VanDerWaalsContact N-CG1 3.32Å; V2008-K2010 HydrophobicContact CG1-CG 4.24Å; V2008-V2084 WeakPolarHBondContact O-CG1 3.46Å
2009H40.3Very low42.5Very low47 Ų4756.2 Ų56.222%0.21828%0.28CS..  trans-129.7114.7176.6-92.5-132.1000116H1933 V2084 H2085 Q2206H1933-H2009 PolarHBondContact CD2-N 3.02Å; H1933-H2009 PolarHBondContact CD2-O 3.18Å; H1933-H2009 PolarHBondContact CE1-N 2.99Å; H1933-H2009 WeakPolarHBondContact NE2-CB 3.39Å; H1933-H2009 PolarHBondContact NE2-N 3.29Å; H1933-H2009 VanDerWaalsContact NE2-N 3.19Å; H2009-V2084 WeakPolarHBondContact NE2-CA 3.39Å; H2009-H2085 PolarHBondContact CE1-N 2.83Å; H2009-H2085 PolarHBondContact CE1-O 3.5Å; H2009-H2085 PolarHBondContact NE2-N 3.26Å; H2009-Q2206 HydrophobicContact CB-CG 3.54Å; H2009-Q2206 PolarHBondContact CD2-NE2 2.86Å; H2009-Q2206 PolarHBondContact CE1-NE2 3.23Å; H2009-Q2206 VanDerWaalsContact CG-CD 3.46Å; H2009-Q2206 VanDerWaalsContact ND1-CG 3.32Å; H2009-Q2206 WeakPolarHBondContact ND1-CG 3.46Å; H2009-Q2206 PolarHBondContact ND1-NE2 3.46Å; H2009-Q2206 VanDerWaalsContact ND1-NE2 3.2Å; H2009-Q2206 PolarHBondContact NE2-NE2 2.98Å
2010K38.5Very low42.8Very low97 Ų9754.4 Ų54.442%0.42227%0.272SS..  trans-107.1127.9-168.5-73.5174.2178.7161.20118.3K1934 V2008 Q2206 T2207K1934-K2010 CarbonylContact O-C 3.53Å; K1934-K2010 VanDerWaalsContact O-CA 3.32Å; K1934-K2010 WeakPolarHBondContact O-CA 3.35Å; V2008-K2010 HydrophobicContact CG1-CG 4.24Å; K2010-Q2206 VanDerWaalsContact N-CD 3.28Å; K2010-Q2206 CarbonylContact O-C 2.99Å; K2010-Q2206 WeakPolarHBondContact O-CB 3.35Å; K2010-T2207 CarbonylContact C-O 3.6Å; K2010-T2207 CarbonylContact O-C 3.44Å
2011K46Very low42.9Very low74 Ų7454.9 Ų54.932%0.32228%0.276SS..  trans-76.2162.4179.1-20.379.4111.986.40121.7K1934 K1935 L1936 T2205 Q2206 T2207K1934-K2011 WeakPolarHBondContact O-CA 3.41Å; K1934-K2011 PolarHBondContact O-N 2.87Å; K1935-K2011 CarbonylContact C-O 3.57Å; K1935-K2011 WeakPolarHBondContact CA-O 3.49Å; K1935-K2011 HydrophobicContact CB-CB 4.05Å; K1935-K2011 HydrophobicContact CD-CB 3.8Å; K1935-K2011 HydrophobicContact CG-CB 3.71Å; L1936-K2011 PolarHBondContact N-O 3.36Å; K2011-T2205 PolarHBondContact NZ-O 2.91Å; K2011-Q2206 HydrophobicContact CD-CB 4.1Å; K2011-Q2206 HydrophobicContact CG-CB 3.84Å; K2011-T2207 CarbonylContact C-O 3.42Å; K2011-T2207 WeakPolarHBondContact CA-O 3.26Å; K2011-T2207 WeakPolarHBondContact CB-OG1 3.46Å; K2011-T2207 WeakPolarHBondContact CG-OG1 3.39Å; K2011-T2207 PolarHBondContact N-O 3.49Å; K2011-T2207 VanDerWaalsContact O-O 3.08Å
2012L38.1Very low43.3Very low21 Ų2152.4 Ų52.411%0.1127%0.265CS..  trans-166.6176.1173-144.6-146.6000111.5K1935 L1936 L2088 T2207 E2208 R2209K1935-L2012 WeakPolarHBondContact CE-O 3.48Å; L1936-L2012 HydrophobicContact CB-CB 4.4Å; L1936-L2012 HydrophobicContact CB-CD2 3.32Å; L1936-L2012 HydrophobicContact CB-CG 3.92Å; L1936-L2012 CarbonylContact O-C 3.14Å; L1936-L2012 WeakPolarHBondContact O-CA 3.49Å; L2012-L2088 HydrophobicContact CD1-CD2 3.36Å; L2012-L2088 HydrophobicContact CD1-CG 4.4Å; L2012-T2207 HydrophobicContact CB-CG2 3.87Å; L2012-T2207 VanDerWaalsContact N-CB 3.34Å; L2012-T2207 PolarHBondContact N-O 2.89Å; L2012-T2207 WeakPolarHBondContact O-CG2 3.41Å; L2012-E2208 WeakPolarHBondContact CD1-O 3.38Å; L2012-R2209 WeakPolarHBondContact CD1-O 3.39Å
2013Q51.4Low43.5Very low28 Ų2851.6 Ų51.613%0.13127%0.268CS..  trans179.7-175.4161.2-159.2135.4-3.500110.4L1936 Q1937 Q2089L1936-Q2013 PolarHBondContact O-N 2.83Å; Q1937-Q2013 CarbonylContact C-O 3.48Å; Q1937-Q2013 WeakPolarHBondContact CA-O 3.4Å; Q1937-Q2013 HydrophobicContact CB-CB 4.35Å; Q1937-Q2013 HydrophobicContact CG-CB 4.08Å; Q2013-Q2089 CarbonylContact C-O 3.07Å; Q2013-Q2089 VanDerWaalsContact CA-O 3.27Å; Q2013-Q2089 WeakPolarHBondContact CA-O 3.37Å; Q2013-Q2089 HydrophobicContact CG-CB 4.19Å
2014A37.5Very low43.9Very low29 Ų2944.7 Ų44.724%0.2424%0.242CC..  trans-169.6172.9170.400000116A1938 A2090 I2091A1938-A2014 HydrophobicContact CB-CB 4.12Å; A1938-A2014 CarbonylContact O-C 3.37Å; A2014-A2090 HydrophobicContact CB-CB 4.09Å; A2014-A2090 CarbonylContact O-C 3.47Å; A2014-A2090 VanDerWaalsContact O-CA 3.27Å; A2014-A2090 WeakPolarHBondContact O-CA 3.18Å; A2014-I2091 PolarHBondContact O-N 3.07Å
2015I48.2Very low44.1Very low61 Ų6144.7 Ų44.731%0.31324%0.241SC..  trans114.4162.8151.3-56.7174.5000118.4A1938 I1939 A2090 I2091 V2092A1938-I2015 PolarHBondContact O-N 3.02Å; I1939-I2015 WeakPolarHBondContact CA-O 3.34Å; I1939-I2015 WeakPolarHBondContact CG2-O 3.36Å; I2015-A2090 HydrophobicContact CD1-CB 3.47Å; I2015-A2090 VanDerWaalsContact CD1-CB 3.47Å; I2015-A2090 HydrophobicContact CG1-CB 3.94Å; I2015-I2091 CarbonylContact C-O 3.15Å; I2015-I2091 WeakPolarHBondContact CA-O 3.28Å; I2015-I2091 VanDerWaalsContact CB-C 3.45Å; I2015-I2091 WeakPolarHBondContact CB-O 3.42Å; I2015-I2091 WeakPolarHBondContact CG2-O 3.47Å; I2015-I2091 VanDerWaalsContact O-O 3.06Å; I2015-V2092 HydrophobicContact CB-CG2 4.47Å; I2015-V2092 HydrophobicContact CG2-CB 3.82Å; I2015-V2092 HydrophobicContact CG2-CG2 3.08Å
2016V44.6Very low44.7Very low53 Ų5343.4 Ų43.432%0.32124%0.235SC..  trans-72.3171.5-144171.20000122.7V1940 V2092 Q2093V1940-V2016 HydrophobicContact CB-CB 4.3Å; V1940-V2016 HydrophobicContact CB-CG1 4.17Å; V1940-V2016 HydrophobicContact CB-CG2 3.93Å; V1940-V2016 HydrophobicContact CG2-CG2 4.1Å; V2016-V2092 HydrophobicContact CB-CB 4.32Å; V2016-V2092 HydrophobicContact CB-CG1 3.65Å; V2016-V2092 HydrophobicContact CG1-CG1 3.89Å; V2016-V2092 CarbonylContact O-C 3.35Å; V2016-Q2093 PolarHBondContact O-N 2.93Å
2017Q41.8Very low45.4Very low9 Ų941.7 Ų41.74%0.04222%0.223CC..  trans-150-173.9-156.4-131169.3-3.800116.3I1939 V1940 Q1941 Q2093 P2279 T2280I1939-Q2017 HydrophobicContact CB-CB 4.49Å; I1939-Q2017 HydrophobicContact CB-CG 4.45Å; I1939-Q2017 HydrophobicContact CG2-CB 3.62Å; I1939-Q2017 HydrophobicContact CG2-CG 3.61Å; V1940-Q2017 CarbonylContact O-C 3.6Å; V1940-Q2017 WeakPolarHBondContact O-CA 3.3Å; V1940-Q2017 WeakPolarHBondContact O-CB 3.41Å; V1940-Q2017 PolarHBondContact O-N 3.22Å; V1940-Q2017 VanDerWaalsContact O-O 3.07Å; Q1941-Q2017 HydrophobicContact CB-CB 4.38Å; Q1941-Q2017 HydrophobicContact CG-CB 3.73Å; Q1941-Q2017 HydrophobicContact CG-CG 4.01Å; Q1941-Q2017 VanDerWaalsContact CG-OE1 3.26Å; Q2017-Q2093 CarbonylContact C-O 2.9Å; Q2017-Q2093 WeakPolarHBondContact CA-O 3.48Å; Q2017-P2279 HydrophobicContact CG-CB 4.24Å; Q2017-T2280 PolarHBondContact NE2-OG1 2.99Å
2018P49.1Very low46.2Very low7 Ų739.3 Ų39.35%0.04521%0.211CC..  trans-145-175.6-16748.1-25.9000117.4Q1941 P2094 P2095 P2279Q1941-P2018 WeakPolarHBondContact CB-O 3.44Å; P2018-P2094 WeakPolarHBondContact CG-O 3.37Å; P2018-P2095 HydrophobicContact CB-CB 4.38Å; P2018-P2095 HydrophobicContact CB-CG 4.11Å; P2018-P2095 VanDerWaalsContact CB-N 3.33Å; P2018-P2279 HydrophobicContact CG-CB 4.38Å
2019P48.4Very low47Very low32 Ų3239.4 Ų39.421%0.20821%0.211CC..  trans-52-162.6-160.7-37.942.7000127.7P1942 P2095 T2096P1942-P2019 HydrophobicContact CB-CG 4.38Å; P1942-P2019 VanDerWaalsContact O-CA 3.31Å; P1942-P2019 WeakPolarHBondContact O-CA 3.36Å; P2019-P2095 HydrophobicContact CG-CB 4.42Å; P2019-T2096 WeakPolarHBondContact O-CB 3.42Å; P2019-T2096 WeakPolarHBondContact O-CG2 3.48Å; P2019-T2096 PolarHBondContact O-OG1 3.36Å
2020T50.3Low47.4Very low12 Ų1240.1 Ų40.17%0.07422%0.215CC..  trans-161.9165.9169.928.80000112.6T1944 T2096 N2098 N2282T1944-T2020 VanDerWaalsContact CA-O 3.22Å; T1944-T2020 WeakPolarHBondContact CA-O 3.43Å; T1944-T2020 PolarHBondContact OG1-OG1 3.14Å; T2020-T2096 HydrophobicContact CG2-CG2 4.21Å; T2020-N2098 HydrophobicContact CG2-CB 4.3Å; T2020-N2282 HydrophobicContact CG2-CB 4.14Å
2021I46.8Very low48Very low62 Ų6238.5 Ų38.532%0.31821%0.206SC..  trans-164.3134.8168.8-44177.3000113.4I1945 I2097 N2098I1945-I2021 HydrophobicContact CB-CG2 3.92Å; I1945-I2021 HydrophobicContact CD1-CG2 4.31Å; I1945-I2021 HydrophobicContact CG1-CG2 3.98Å; I2021-I2097 HydrophobicContact CB-CG2 4.41Å; I2021-I2097 HydrophobicContact CD1-CG1 4.28Å; I2021-N2098 CarbonylContact O-C 3.2Å; I2021-N2098 WeakPolarHBondContact O-CA 3.19Å; I2021-N2098 WeakPolarHBondContact O-CB 3.44Å; I2021-N2098 PolarHBondContact O-N 3.1Å
2022N52.3Low48Very low9 Ų937 Ų375%0.04820%0.204CC..  trans-129.5-167.1-175.9-2.8-31.2000115.6T1944 I1945 N1946 N2098 E2100T1944-N2022 WeakPolarHBondContact CG2-OD1 3.49Å; I1945-N2022 CarbonylContact O-C 3.21Å; I1945-N2022 WeakPolarHBondContact O-CA 3.47Å; I1945-N2022 PolarHBondContact O-N 3.34Å; N1946-N2022 WeakPolarHBondContact CA-O 3.25Å; N1946-N2022 VanDerWaalsContact OD1-C 3.27Å; N1946-N2022 VanDerWaalsContact OD1-CA 3.3Å; N1946-N2022 WeakPolarHBondContact OD1-CA 3.46Å; N1946-N2022 WeakPolarHBondContact OD1-CB 3.37Å; N1946-N2022 PolarHBondContact OD1-ND2 3.14Å; N2022-N2098 HydrophobicContact CB-CB 4.49Å; N2022-N2098 VanDerWaalsContact CG-ND2 3.35Å; N2022-N2098 WeakPolarHBondContact OD1-CB 3.36Å; N2022-N2098 PolarHBondContact OD1-ND2 3.36Å; N2022-E2100 HydrophobicContact CB-CB 4.48Å; N2022-E2100 PolarHBondContact ND2-OE1 3.08Å
2023T44.1Very low48.3Very low77 Ų7738.1 Ų38.147%0.47221%0.212SC..  trans178.7144.8179.4-79.60000111.3E2100T2023-E2100 CarbonylContact O-C 3.44Å; T2023-E2100 WeakPolarHBondContact O-CA 3Å; T2023-E2100 WeakPolarHBondContact O-CB 3.45Å; T2023-E2100 PolarHBondContact O-N 2.83Å
2024E46.8Very low48Very low12 Ų1239.7 Ų39.76%0.05623%0.225CC..  trans-131.1-170.2-161.1-20.6175.6-167.100118N1762 N1946 T1947 E1948 E2100N1762-E2024 PolarHBondContact ND2-OE1 3.42Å; N1946-E2024 HydrophobicContact CB-CG 4.13Å; N1946-E2024 WeakPolarHBondContact ND2-CG 3.28Å; N1946-E2024 PolarHBondContact ND2-OE1 3.34Å; T1947-E2024 CarbonylContact O-C 3.35Å; T1947-E2024 WeakPolarHBondContact O-CA 3.29Å; T1947-E2024 WeakPolarHBondContact O-CB 3.18Å; T1947-E2024 WeakPolarHBondContact O-CG 3.38Å; T1947-E2024 PolarHBondContact O-N 3.47Å; E1948-E2024 HydrophobicContact CG-CB 4.08Å; E1948-E2024 HydrophobicContact CG-CG 4.32Å; E2024-E2100 HydrophobicContact CB-CB 4.18Å; E2024-E2100 HydrophobicContact CG-CB 3.88Å
2025T48.3Very low48.3Very low48 Ų4840.6 Ų40.629%0.29423%0.228SC..  trans-172.7-178.1-174-80.90000111.4T1949 T2101 Q2102T1949-T2025 HydrophobicContact CG2-CG2 4.35Å; T1949-T2025 CarbonylContact O-C 3.45Å; T2025-T2101 HydrophobicContact CG2-CG2 4.05Å; T2025-T2101 CarbonylContact O-C 2.89Å; T2025-Q2102 VanDerWaalsContact C-N 3.33Å; T2025-Q2102 VanDerWaalsContact O-CA 3.25Å; T2025-Q2102 WeakPolarHBondContact O-CA 3.38Å; T2025-Q2102 WeakPolarHBondContact O-CB 3.3Å; T2025-Q2102 PolarHBondContact O-N 3.17Å
2026Q52.3Low48.3Very low38 Ų3842.7 Ų42.718%0.17824%0.239CC..  trans-160.6178.8-177-153.617376.300114.6T1949 Q1950 Q2102T1949-Q2026 VanDerWaalsContact O-CA 3.31Å; T1949-Q2026 WeakPolarHBondContact O-CA 3.49Å; T1949-Q2026 WeakPolarHBondContact O-CB 3.35Å; T1949-Q2026 PolarHBondContact O-N 3.38Å; Q1950-Q2026 CarbonylContact C-O 3.23Å; Q1950-Q2026 VanDerWaalsContact CA-C 3.48Å; Q1950-Q2026 VanDerWaalsContact CA-O 3.25Å; Q1950-Q2026 WeakPolarHBondContact CA-O 3.4Å; Q1950-Q2026 HydrophobicContact CB-CB 3.9Å; Q1950-Q2026 HydrophobicContact CG-CB 3.7Å; Q1950-Q2026 HydrophobicContact CG-CG 3.79Å; Q2026-Q2102 CarbonylContact C-O 3.57Å; Q2026-Q2102 VanDerWaalsContact C-O 3.27Å; Q2026-Q2102 WeakPolarHBondContact CA-O 3.38Å; Q2026-Q2102 HydrophobicContact CB-CB 4.15Å; Q2026-Q2102 HydrophobicContact CG-CB 4.06Å; Q2026-Q2102 HydrophobicContact CG-CG 4.27Å; Q2026-Q2102 VanDerWaalsContact CG-OE1 3.29Å
2027T50.7Low48.4Very low35 Ų3543.3 Ų43.322%0.21524%0.239CC..  trans-179.1-179.1179.4-72.80000112.1T1951 T2103 M2104T1951-T2027 WeakPolarHBondContact CB-OG1 2.87Å; T1951-T2027 HydrophobicContact CG2-CG2 3.99Å; T1951-T2027 CarbonylContact O-C 3.58Å; T1951-T2027 WeakPolarHBondContact O-CA 3.28Å; T2027-T2103 WeakPolarHBondContact CB-OG1 3.42Å; T2027-T2103 HydrophobicContact CG2-CG2 3.95Å; T2027-T2103 CarbonylContact O-C 3.59Å; T2027-M2104 VanDerWaalsContact O-CB 3.3Å; T2027-M2104 WeakPolarHBondContact O-CB 3.37Å; T2027-M2104 PolarHBondContact O-N 3.04Å
2028M56.1Low48.7Very low41 Ų4144.8 Ų44.820%0.20225%0.25CC..  trans-156.8160.3-176.5-138.4-15987.400115.9T1951 M1952 V1953 M2104T1951-M2028 WeakPolarHBondContact O-CB 3.38Å; T1951-M2028 PolarHBondContact O-N 3.15Å; M1952-M2028 CarbonylContact C-O 3.44Å; M1952-M2028 WeakPolarHBondContact CA-O 3.17Å; M1952-M2028 HydrophobicContact CB-CB 3.85Å; M1952-M2028 HydrophobicContact CG-CB 3.6Å; M1952-M2028 HydrophobicContact CG-CE 3.64Å; M1952-M2028 HydrophobicContact CG-CG 4.31Å; M1952-M2028 HydrophobicContact CG-SD 3.94Å; M1952-M2028 HydrophobicContact SD-CE 4.24Å; V1953-M2028 PolarHBondContact N-O 2.99Å; M2028-M2104 CarbonylContact C-O 3.24Å; M2028-M2104 WeakPolarHBondContact CA-O 3.48Å; M2028-M2104 HydrophobicContact CB-CB 4.32Å; M2028-M2104 HydrophobicContact CE-CE 4.35Å; M2028-M2104 HydrophobicContact CG-CB 3.8Å; M2028-M2104 HydrophobicContact CG-CE 3.75Å; M2028-M2104 HydrophobicContact CG-CG 3.68Å; M2028-M2104 HydrophobicContact CG-SD 3.53Å; M2028-M2104 VanDerWaalsContact CG-SD 3.53Å; M2028-M2104 HydrophobicContact SD-CE 3.88Å; M2028-M2104 HydrophobicContact SD-SD 4.21Å
2029V55.3Low48.4Very low35 Ų3547 Ų4721%0.21226%0.264CS..  trans-161.2156.5178.1-176.10000111.9V1953 M2104 V2105 E2106V1953-V2029 HydrophobicContact CB-CB 4.11Å; V1953-V2029 HydrophobicContact CB-CG1 3.94Å; V1953-V2029 HydrophobicContact CB-CG2 3.85Å; V1953-V2029 HydrophobicContact CG1-CG1 4.23Å; V1953-V2029 HydrophobicContact CG2-CG2 3.96Å; V1953-V2029 CarbonylContact O-C 3.5Å; V1953-V2029 WeakPolarHBondContact O-CA 3.15Å; V2029-M2104 PolarHBondContact N-O 2.66Å; V2029-V2105 HydrophobicContact CB-CB 3.98Å; V2029-V2105 HydrophobicContact CB-CG1 3.84Å; V2029-V2105 HydrophobicContact CB-CG2 3.81Å; V2029-V2105 HydrophobicContact CG1-CG1 3.99Å; V2029-V2105 HydrophobicContact CG2-CB 4.46Å; V2029-V2105 HydrophobicContact CG2-CG2 3.73Å; V2029-V2105 CarbonylContact O-C 3.52Å; V2029-V2105 WeakPolarHBondContact O-CA 3.48Å; V2029-E2106 PolarHBondContact O-N 2.79Å; V2029-E2106 VanDerWaalsContact O-N 3.11Å
2030E48.7Very low48.2Very low62 Ų6249.5 Ų49.529%0.2927%0.272SS..  trans-109.5163.3-171.5-139.6-158-146.400118.4V1953 R1955 E2106V1953-E2030 PolarHBondContact O-N 3.46Å; R1955-E2030 HydrophobicContact CB-CB 4.44Å; R1955-E2030 WeakPolarHBondContact CB-OE2 3.22Å; R1955-E2030 IonicContact CZ-OE2 3.38Å; R1955-E2030 IonicContact NE-OE2 3.83Å; R1955-E2030 PolarHBondContact NE-OE2 3.4Å; R1955-E2030 IonicContact NH2-OE1 2.79Å; R1955-E2030 PolarHBondContact NH2-OE1 3.34Å; R1955-E2030 IonicContact NH2-OE2 2.72Å; R1955-E2030 PolarHBondContact NH2-OE2 3.22Å; E2030-E2106 WeakPolarHBondContact CG-OE2 3.49Å
2031R52.1Low47.9Very low63 Ų6352.1 Ų52.124%0.23829%0.287CS..PPolyproline II helixtrans-83.8124.6-161.1169177.4-40.3-130.30.5119.7R1955 E2106 R2107 E2290R1955-R2031 WeakPolarHBondContact CD-O 3.49Å; R1955-R2031 WeakPolarHBondContact CG-O 3.36Å; R1955-R2031 PolarHBondContact NE-O 3.27Å; R1955-R2031 VanDerWaalsContact NE-O 3.14Å; R1955-R2031 PolarHBondContact NH1-O 3.49Å; R2031-E2106 HydrophobicContact CB-CB 3.85Å; R2031-E2106 VanDerWaalsContact CB-CD 3.41Å; R2031-E2106 HydrophobicContact CB-CG 3.87Å; R2031-E2106 WeakPolarHBondContact CB-OE2 2.96Å; R2031-E2106 IonicContact CZ-OE1 2.67Å; R2031-E2106 PolarHBondContact N-OE2 3.46Å; R2031-E2106 IonicContact NE-OE1 3.38Å; R2031-E2106 PolarHBondContact NE-OE1 2.8Å; R2031-E2106 IonicContact NE-OE2 3.43Å; R2031-E2106 IonicContact NH2-OE1 3.52Å; R2031-E2106 PolarHBondContact NH2-OE1 3.03Å; R2031-R2107 WeakPolarHBondContact CD-O 3.37Å; R2031-R2107 WeakPolarHBondContact CG-O 3.31Å; R2031-R2107 PolarHBondContact NE-O 3.2Å; R2031-R2107 PolarHBondContact NH1-O 3.12Å; R2031-E2290 IonicContact CZ-OE1 2.81Å; R2031-E2290 IonicContact CZ-OE2 3.1Å; R2031-E2290 IonicContact NH1-OE1 2.75Å; R2031-E2290 IonicContact NH2-OE1 2.74Å; R2031-E2290 PolarHBondContact NH2-OE1 3.02Å; R2031-E2290 VanDerWaalsContact NH2-OE1 3.14Å; R2031-E2290 IonicContact NH2-OE2 2.6Å; R2031-E2290 PolarHBondContact NH2-OE2 3.13Å
2032P46Very low47.7Very low42 Ų4251.7 Ų51.727%0.27328%0.284SS..PPolyproline II helixtrans-74.1164168.9-17.231.9000116P1956 P2108 P2109P1956-P2032 HydrophobicContact CG-CB 4.4Å; P1956-P2032 HydrophobicContact CG-CG 4.41Å; P2032-P2108 HydrophobicContact CG-CG 4.38Å; P2032-P2109 WeakPolarHBondContact O-CD 3.49Å
2033P44.4Very low47Very low45 Ų4554 Ų5429%0.29230%0.296SS..PPolyproline II helixtrans-92.7170.5177.635.8-36.9000115.9P1956 P1958P1956-P2033 VanDerWaalsContact O-CD 3.23Å; P1956-P2033 WeakPolarHBondContact O-CD 3.17Å; P1958-P2033 HydrophobicContact CB-CB 3.98Å; P1958-P2033 HydrophobicContact CB-CG 3.58Å; P1958-P2033 HydrophobicContact CG-CB 4.45Å; P1958-P2033 HydrophobicContact CG-CG 4.05Å
2034P45.5Very low46.8Very low62 Ų6252.6 Ų52.640%0.40329%0.287SS..PPolyproline II helixtrans-90.5162.3-166.731-27.3000115.5P2109P2034-P2109 HydrophobicContact CB-CB 4.13Å; P2034-P2109 HydrophobicContact CB-CG 3.77Å; P2034-P2109 HydrophobicContact CG-CB 4.36Å; P2034-P2109 HydrophobicContact CG-CG 3.84Å
2035V43.6Very low46.5Very low47 Ų4755.7 Ų55.729%0.28530%0.302SS..  trans-119.2129.9173.4-179.20000109.7L2037 V2111V2035-L2037 HydrophobicContact CG1-CD2 4.5Å; V2035-L2037 HydrophobicContact CG1-CG 4.43Å; V2035-V2111 HydrophobicContact CB-CG2 4.48Å; V2035-V2111 WeakPolarHBondContact O-CA 3.48Å
2036I47.5Very low46.2Very low106 Ų10656.1 Ų56.154%0.54430%0.304SS..  trans-102.2130.9173.9-61174.8000108.7
2037L46.3Very low45.4Very low65 Ų6559.3 Ų59.334%0.3432%0.319SS..  trans-115.3108.7-180-74.4174.6000110.1L1961 V2035 V2111 L2113 P2114L1961-L2037 HydrophobicContact CB-CD2 4.3Å; L1961-L2037 HydrophobicContact CD1-CD2 3.98Å; V2035-L2037 HydrophobicContact CG1-CD2 4.5Å; V2035-L2037 HydrophobicContact CG1-CG 4.43Å; L2037-V2111 HydrophobicContact CD1-CG1 3.99Å; L2037-V2111 HydrophobicContact CG-CG1 4.29Å; L2037-L2113 HydrophobicContact CB-CD2 3.85Å; L2037-L2113 HydrophobicContact CD1-CD2 3.94Å; L2037-P2114 WeakPolarHBondContact O-CD 3.43Å
2038P48.3Very low45Very low40 Ų4060.7 Ų60.726%0.2633%0.33SS..  trans-66.8162.5-177.721.2-30.5000114.3L1961 P1963L1961-P2038 WeakPolarHBondContact O-CD 3.43Å; L1961-P2038 WeakPolarHBondContact O-CG 3.21Å; P1963-P2038 HydrophobicContact CB-CB 4.01Å; P1963-P2038 HydrophobicContact CB-CG 4.12Å; P1963-P2038 HydrophobicContact CG-CB 3.72Å; P1963-P2038 HydrophobicContact CG-CG 3.87Å; P1963-P2038 VanDerWaalsContact N-CG 3.28Å
2039P42.6Very low44.2Very low53 Ų5359.9 Ų59.934%0.34433%0.332SS..  trans-70.4153.2-173.827.7-30.4000112P2114P2039-P2114 HydrophobicContact CB-CB 4.09Å; P2039-P2114 HydrophobicContact CB-CG 3.77Å; P2039-P2114 HydrophobicContact CG-CB 4.39Å; P2039-P2114 HydrophobicContact CG-CG 4.04Å
2040K43.5Very low43.5Very low86 Ų8660.4 Ų60.437%0.37434%0.336SS..  trans-109.1110.5162.1-62.3-170179.4-175.50107.6F2042K2040-F2042 HydrophobicContact CB-CD2 4.34Å; K2040-F2042 HydrophobicContact CB-CE2 3.62Å; K2040-F2042 HydrophobicContact CB-CZ 4.19Å; K2040-F2042 HydrophobicContact CD-CE2 4.28Å; K2040-F2042 HydrophobicContact CD-CZ 4.18Å
2041V44.4Very low42.8Very low66 Ų6659.6 Ų59.640%0.434%0.335SS..  trans-87.8141.6167.1-176.40000107.4
2042F42.6Very low42.3Very low54 Ų5458.3 Ų58.324%0.23733%0.334CS..EExtended strand (participates in β ladder)trans-134.1113170.5-63.9-90.3000106.9F1966 K2040 V2044 F2118F1966-F2042 HydrophobicContact CB-CD1 3.87Å; F1966-F2042 HydrophobicContact CB-CE1 3.88Å; F1966-F2042 HydrophobicContact CD2-CD1 4.35Å; F1966-F2042 AromaticContact CD2-CE1 3.57Å; F1966-F2042 HydrophobicContact CD2-CE1 3.57Å; F1966-F2042 AromaticContact CD2-CZ 3.98Å; F1966-F2042 HydrophobicContact CD2-CZ 3.98Å; F1966-F2042 HydrophobicContact CE2-CE1 4.4Å; F1966-F2042 HydrophobicContact CG-CD1 4.47Å; F1966-F2042 AromaticContact CG-CE1 3.96Å; F1966-F2042 HydrophobicContact CG-CE1 3.96Å; K2040-F2042 HydrophobicContact CB-CD2 4.34Å; K2040-F2042 HydrophobicContact CB-CE2 3.62Å; K2040-F2042 HydrophobicContact CB-CZ 4.19Å; K2040-F2042 HydrophobicContact CD-CE2 4.28Å; K2040-F2042 HydrophobicContact CD-CZ 4.18Å; F2042-V2044 HydrophobicContact CB-CG2 4.27Å; F2042-F2118 HydrophobicContact CB-CD1 3.92Å; F2042-F2118 HydrophobicContact CB-CE1 4.01Å; F2042-F2118 HydrophobicContact CD2-CD1 4.22Å; F2042-F2118 AromaticContact CD2-CE1 3.51Å; F2042-F2118 HydrophobicContact CD2-CE1 3.51Å; F2042-F2118 HydrophobicContact CD2-CZ 4.04Å; F2042-F2118 HydrophobicContact CE2-CE1 4.26Å; F2042-F2118 HydrophobicContact CE2-CZ 4.49Å; F2042-F2118 HydrophobicContact CG-CD1 4.43Å; F2042-F2118 HydrophobicContact CG-CE1 4.01Å
2043D37.4Very low42Very low56 Ų5658.9 Ų58.930%0.29933%0.334SS..EExtended strand (participates in β ladder)trans-99.9124.5165.5-165.6-20000106.5V1968 Q2045V1968-D2043 PolarHBondContact N-O 3.11Å; D2043-Q2045 PolarHBondContact OD1-NE2 3.01Å
2044V41.1Very low41.7Very low48 Ų4859.3 Ų59.329%0.29133%0.334SS..  trans-13671.8-172.4-169.60000109.6F2042 T2046 D2119F2042-V2044 HydrophobicContact CB-CG2 4.27Å; V2044-T2046 PolarHBondContact O-N 2.98Å; V2044-D2119 PolarHBondContact N-O 2.72Å
2045Q40.2Very low41.4Very low78 Ų7857.8 Ų57.836%0.36433%0.325SS..  trans-71.9118.1172.8-68.6169.518.900109.9T1970 D2043T1970-Q2045 PolarHBondContact N-O 3.4Å; D2043-Q2045 PolarHBondContact OD1-NE2 3.01Å
2046T40.8Very low41Very low56 Ų5661.5 Ų61.534%0.34434%0.339SS..EExtended strand (participates in β ladder)trans-121.4100.2175.713.40000109.8T1970 V2044 Q2121 Q2123T1970-T2046 VanDerWaalsContact OG1-CG2 3.27Å; T1970-T2046 WeakPolarHBondContact OG1-CG2 3.19Å; V2044-T2046 PolarHBondContact O-N 2.98Å; T2046-Q2121 PolarHBondContact N-O 2.95Å; T2046-Q2123 PolarHBondContact O-N 3.24Å
2047Q36Very low40.5Very low105 Ų10559 Ų5949%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-89.6143.7166.6-92.4178.9-19.600110.3S1972 Q2123S1972-Q2047 WeakPolarHBondContact CB-O 3.33Å; Q2047-Q2123 HydrophobicContact CG-CB 4.2Å
2048S42.3Very low40Very low64 Ų6460.5 Ų60.545%0.44833%0.334SS..  trans-121145.4177.463.30000111.9S1972 Q2123 S2124 G2125S1972-S2048 VanDerWaalsContact OG-C 3.26Å; S2048-Q2123 PolarHBondContact N-O 2.91Å; S2048-Q2123 PolarHBondContact OG-O 3.3Å; S2048-S2124 VanDerWaalsContact OG-CA 3.3Å; S2048-S2124 WeakPolarHBondContact OG-CA 3.23Å; S2048-G2125 WeakPolarHBondContact O-CA 3.48Å; S2048-G2125 PolarHBondContact O-N 2.9Å; S2048-G2125 PolarHBondContact OG-N 2.76Å
2049G40Very low39.6Very low24 Ų2461.1 Ų61.125%0.24734%0.337CS..  trans-95.6164-165.800000114.3S1972S1972-G2049 PolarHBondContact OG-N 3.44Å
2050T40.4Very low39.4Very low47 Ų4760.5 Ų60.529%0.28833%0.333SS..  trans-68.5138.4173.522.30000112.5T1974 V1975 T2126T1974-T2050 WeakPolarHBondContact CA-O 3.42Å; T1974-T2050 PolarHBondContact OG1-OG1 2.95Å; V1975-T2050 PolarHBondContact N-O 3.21Å; T2050-T2126 WeakPolarHBondContact CA-O 3.27Å; T2050-T2126 VanDerWaalsContact CG2-OG1 3.28Å; T2050-T2126 WeakPolarHBondContact CG2-OG1 3.38Å
2051V34.4Very low39.1Very low45 Ų4559.4 Ų59.427%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-124.4119.4171.3-1760000109.5V1975 I2053 T2126 V2127 T2128V1975-V2051 HydrophobicContact CB-CG2 4.48Å; V1975-V2051 WeakPolarHBondContact O-CA 3.47Å; V2051-I2053 HydrophobicContact CG1-CD1 4.07Å; V2051-I2053 HydrophobicContact CG1-CG1 4.02Å; V2051-T2126 PolarHBondContact N-O 2.72Å; V2051-V2127 HydrophobicContact CB-CG2 4.44Å; V2051-V2127 WeakPolarHBondContact O-CA 3.36Å; V2051-T2128 PolarHBondContact O-N 3.16Å; V2051-T2128 VanDerWaalsContact O-N 3.11Å
2052T41Very low38.6Very low36 Ų3658.9 Ų58.922%0.22132%0.323CS..EExtended strand (participates in β ladder)trans-110.7118.5178.3-58.80000109V1975 T1976 I1977V1975-T2052 PolarHBondContact O-N 3.32Å; T1976-T2052 WeakPolarHBondContact CA-O 3.41Å; I1977-T2052 PolarHBondContact N-O 2.84Å
2053I39.3Very low38.2Very low53 Ų5360.7 Ų60.727%0.27233%0.332SS..EExtended strand (participates in β ladder)trans-122.7111.2177.2-60.4169.1000108.4I1977 V2051 T2128 I2129 N2130I1977-I2053 WeakPolarHBondContact O-CA 3.43Å; V2051-I2053 HydrophobicContact CG1-CD1 4.07Å; V2051-I2053 HydrophobicContact CG1-CG1 4.02Å; I2053-T2128 PolarHBondContact N-O 3.19Å; I2053-I2129 HydrophobicContact CB-CG1 4.22Å; I2053-I2129 WeakPolarHBondContact O-CA 3.39Å; I2053-N2130 PolarHBondContact O-N 3.08Å
2054N38.8Very low38.2Very low54 Ų5463.9 Ų63.929%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-99.1115.1169.4-59.6-62.9000107.8I1977 N1978 S1979 N2130I1977-N2054 PolarHBondContact O-N 2.96Å; N1978-N2054 PolarHBondContact OD1-ND2 3.03Å; S1979-N2054 PolarHBondContact N-O 3.45Å; N2054-N2130 PolarHBondContact OD1-ND2 3.25Å
2055S39.6Very low38Very low30 Ų3063.1 Ų63.121%0.2134%0.336CS..  trans-142.199.2178.5-75.40000110.3S1979 N2130 S2131S1979-S2055 WeakPolarHBondContact O-CA 3.3Å; S1979-S2055 WeakPolarHBondContact O-CB 3.4Å; S1979-S2055 PolarHBondContact O-OG 2.73Å; S2055-N2130 PolarHBondContact N-O 3.08Å; S2055-S2131 WeakPolarHBondContact O-CA 3.46Å; S2055-S2131 WeakPolarHBondContact O-CB 3.47Å; S2055-S2131 PolarHBondContact O-OG 2.89Å
2056E34.3Very low37.7Very low126 Ų12664 Ų6459%0.58934%0.342SS*.  trans-76.9139.2167.5-66173.9-159.700109.8
2057T38.1Very low37.6Very low54 Ų5464.6 Ų64.633%0.33134%0.342SS..  trans-146.689.5180-52.70000110.2T2059 E2132T2057-T2059 PolarHBondContact O-N 2.67Å; T2057-E2132 PolarHBondContact N-O 3.04Å
2058Q35.9Very low37.8Very low95 Ų9562.8 Ų62.844%0.44433%0.334SS..  trans-65.9126.6174.3-165.8170.935.900109.7
2059T38.7Very low38Very low53 Ų5362 Ų6233%0.32533%0.326SS..  trans-104.9129.2-175.4-49.90000109.9T2057 T2133 Q2134T2057-T2059 PolarHBondContact O-N 2.67Å; T2059-T2133 VanDerWaalsContact OG1-CG2 3.3Å; T2059-T2133 WeakPolarHBondContact OG1-CG2 3.38Å; T2059-Q2134 PolarHBondContact N-O 3.08Å
2060P37.9Very low38.2Very low41 Ų4163.6 Ų63.627%0.26633%0.326SS..PPolyproline II helixtrans-72.1157.4-175.728-35.6000113.9Q1985Q1985-P2060 HydrophobicContact CB-CB 3.98Å; Q1985-P2060 HydrophobicContact CG-CB 3.49Å; Q1985-P2060 VanDerWaalsContact CG-CB 3.49Å
2061Q37.1Very low38.4Very low63 Ų6362.4 Ų62.429%0.29432%0.318SS..PPolyproline II helixtrans-67.8127.5159.9-70.4177.5-84.400110H1987 P2136 Q2137H1987-Q2061 PolarHBondContact CE1-O 2.89Å; H1987-Q2061 VanDerWaalsContact CE1-O 3.25Å; H1987-Q2061 PolarHBondContact ND1-O 3.21Å; Q2061-P2136 HydrophobicContact CG-CB 3.59Å; Q2061-P2136 HydrophobicContact CG-CG 3.77Å; Q2061-Q2137 PolarHBondContact NE2-O 3.49Å
2062E33.9Very low38.9Very low54 Ų5464.6 Ų64.625%0.25233%0.328SS..PPolyproline II helixtrans-95.6166.5155.1-62.1-155.198.900110.2R2064 E2138E2062-R2064 HydrophobicContact CB-CG 4.33Å; E2062-R2064 IonicContact OE1-CZ 3.79Å; E2062-R2064 IonicContact OE1-NE 2.88Å; E2062-R2064 IonicContact OE1-NH2 3.81Å; E2062-R2064 PolarHBondContact OE1-NH2 2.9Å; E2062-R2064 IonicContact OE2-CZ 3.32Å; E2062-R2064 IonicContact OE2-NE 3.19Å; E2062-R2064 PolarHBondContact OE2-NE 2.92Å; E2062-R2064 IonicContact OE2-NH2 3.16Å; E2062-R2064 PolarHBondContact OE2-NH2 3.23Å; E2062-E2138 VanDerWaalsContact O-CD 3.32Å; E2062-E2138 WeakPolarHBondContact O-CG 3.41Å
2063H35.9Very low39.3Very low93 Ų9363.2 Ų63.243%0.43132%0.319SS..  trans-138.791.4169.5-91.635.1000108.8E2138H2063-E2138 VanDerWaalsContact CA-OE1 3.23Å; H2063-E2138 WeakPolarHBondContact CA-OE1 3.25Å; H2063-E2138 PolarHBondContact N-OE1 3.08Å
2064R36.3Very low39.7Very low123 Ų12363.7 Ų63.746%0.46433%0.325SS..  trans-102.7155.1-172.5-68.9-175177.9-86.1-2.1114.3E2062 E2138E2062-R2064 HydrophobicContact CB-CG 4.33Å; E2062-R2064 IonicContact OE1-CZ 3.79Å; E2062-R2064 IonicContact OE1-NE 2.88Å; E2062-R2064 IonicContact OE1-NH2 3.81Å; E2062-R2064 PolarHBondContact OE1-NH2 2.9Å; E2062-R2064 IonicContact OE2-CZ 3.32Å; E2062-R2064 IonicContact OE2-NE 3.19Å; E2062-R2064 PolarHBondContact OE2-NE 2.92Å; E2062-R2064 IonicContact OE2-NH2 3.16Å; E2062-R2064 PolarHBondContact OE2-NH2 3.23Å; R2064-E2138 WeakPolarHBondContact CB-OE1 3.45Å; R2064-E2138 PolarHBondContact N-OE1 3.28Å
2065P37.6Very low40Very low32 Ų3265.3 Ų65.321%0.20833%0.33CS..  trans-126.8-168.3-153.89.320.4000115.1I1990 P2141I1990-P2065 HydrophobicContact CB-CB 4.1Å; I1990-P2065 HydrophobicContact CB-CG 4.19Å; I1990-P2065 HydrophobicContact CD1-CB 4.06Å; I1990-P2065 HydrophobicContact CG1-CB 3.65Å; I1990-P2065 HydrophobicContact CG1-CG 3.82Å; I1990-P2065 HydrophobicContact CG2-CB 4.08Å; P2065-P2141 VanDerWaalsContact C-CB 3.41Å; P2065-P2141 WeakPolarHBondContact O-CB 3.46Å; P2065-P2141 WeakPolarHBondContact O-CG 3.33Å
2066I32.5Very low40.3Very low96 Ų9666.8 Ų66.849%0.49233%0.334SS..  trans-69.9143.1-162.3-60.2172.6000114.4I1990 P2141 V2142I1990-I2066 WeakPolarHBondContact CG2-O 3.39Å; I2066-P2141 HydrophobicContact CB-CB 4.28Å; I2066-P2141 HydrophobicContact CG1-CB 3.75Å; I2066-V2142 WeakPolarHBondContact CG2-O 3.37Å
2067I39.2Very low40.6Very low68 Ų6864.4 Ų64.435%0.34932%0.323SS..  trans-138.5145-178.7-46.3178.7000108.7I1991 V2069 V2142 V2143I1991-I2067 WeakPolarHBondContact O-CA 3.49Å; I2067-V2069 HydrophobicContact CG2-CG2 4.33Å; I2067-V2142 VanDerWaalsContact O-O 3.04Å; I2067-V2143 HydrophobicContact CB-CG2 4.41Å; I2067-V2143 VanDerWaalsContact O-CA 3.26Å; I2067-V2143 WeakPolarHBondContact O-CA 3.46Å; I2067-V2143 WeakPolarHBondContact O-CG2 3.48Å
2068E41.1Very low40.6Very low68 Ų6867.4 Ų67.432%0.31833%0.331SS..  trans-139.6135.3176.9-160.1-159.1154.600111K2070 A2144E2068-K2070 WeakPolarHBondContact OE1-CE 3.26Å; E2068-K2070 IonicContact OE1-NZ 3.65Å; E2068-K2070 PolarHBondContact OE1-NZ 3.02Å; E2068-K2070 IonicContact OE2-NZ 3.56Å; E2068-K2070 PolarHBondContact OE2-NZ 2.94Å; E2068-A2144 HydrophobicContact CG-CB 4.27Å; E2068-A2144 WeakPolarHBondContact CG-O 3.22Å
2069V46.8Very low40.7Very low47 Ų4769.3 Ų69.329%0.28533%0.334SS..  trans-141138-168.9-1730000110.3I2067 A2144 T2145I2067-V2069 HydrophobicContact CG2-CG2 4.33Å; V2069-A2144 PolarHBondContact N-O 2.91Å; V2069-T2145 WeakPolarHBondContact O-CA 3.45Å; V2069-T2145 VanDerWaalsContact O-CB 3.3Å; V2069-T2145 WeakPolarHBondContact O-CB 3.29Å; V2069-T2145 WeakPolarHBondContact O-CG2 3.41Å; V2069-T2145 PolarHBondContact O-OG1 3.36Å
2070K43Very low40.6Very low57 Ų5770.5 Ų70.525%0.24834%0.343CS..  trans-108.6-53.8-159-70.1179.2167.3680119.2E2068 K2146E2068-K2070 WeakPolarHBondContact OE1-CE 3.26Å; E2068-K2070 IonicContact OE1-NZ 3.65Å; E2068-K2070 PolarHBondContact OE1-NZ 3.02Å; E2068-K2070 IonicContact OE2-NZ 3.56Å; E2068-K2070 PolarHBondContact OE2-NZ 2.94Å; K2070-K2146 PolarHBondContact O-N 2.88Å; K2070-K2146 VanDerWaalsContact O-N 3.15Å
2071D45.9Very low40.6Very low22 Ų2273.1 Ų73.112%0.11835%0.351CS..BIsolated β-bridgetrans-124.3147.8-167.5-6821.3000116.2K1049 T1050 L1996K1049-D2071 WeakPolarHBondContact CE-OD2 3.45Å; K1049-D2071 IonicContact NZ-OD1 3.58Å; K1049-D2071 PolarHBondContact NZ-OD1 3.09Å; K1049-D2071 IonicContact NZ-OD2 2.68Å; K1049-D2071 PolarHBondContact NZ-OD2 2.87Å; T1050-D2071 WeakPolarHBondContact CG2-OD2 3.44Å; L1996-D2071 PolarHBondContact N-O 3.15Å
2072L44.2Very low40.4Very low91 Ų9173.5 Ų73.548%0.47636%0.36SS..EExtended strand (participates in β ladder)trans-156.5128.8-176.3-168.387.6000116.9L1996 D2147 A2148L1996-L2072 HydrophobicContact CB-CD1 4.22Å; L1996-L2072 HydrophobicContact CD2-CD1 3.97Å; L1996-L2072 HydrophobicContact CG-CD1 4.33Å; L1996-L2072 WeakPolarHBondContact O-CA 3.48Å; L2072-D2147 PolarHBondContact N-O 2.67Å; L2072-A2148 WeakPolarHBondContact O-CA 3.48Å; L2072-A2148 WeakPolarHBondContact O-CB 3.35Å
2073I50.3Low40.5Very low8 Ų876.7 Ų76.74%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-149.3157-168.3-34.284.2000117T1050 I1997 T1998T1050-I2073 WeakPolarHBondContact OG1-CD1 3.45Å; T1050-I2073 WeakPolarHBondContact OG1-CG1 3.43Å; I1997-I2073 HydrophobicContact CB-CD1 4.28Å; I1997-I2073 HydrophobicContact CG1-CD1 3.68Å; I1997-I2073 HydrophobicContact CG2-CB 3.76Å; I1997-I2073 HydrophobicContact CG2-CD1 3.6Å; I1997-I2073 HydrophobicContact CG2-CG1 4.26Å; I1997-I2073 WeakPolarHBondContact CG2-O 3.45Å; T1998-I2073 PolarHBondContact N-O 3.42Å; T1998-I2073 VanDerWaalsContact N-O 3.1Å
2074T46.4Very low40.5Very low63 Ų6374.2 Ų74.239%0.38737%0.368SS..  trans-153.9152.6173.9-61.30000117.8T1998 S2149 V2150T1998-T2074 VanDerWaalsContact O-CA 3.28Å; T1998-T2074 WeakPolarHBondContact O-CA 3.45Å; T2074-S2149 PolarHBondContact N-O 2.89Å; T2074-S2149 VanDerWaalsContact O-O 3.12Å; T2074-V2150 VanDerWaalsContact O-CA 3.29Å; T2074-V2150 WeakPolarHBondContact O-CA 3.18Å
2075Q45.9Very low40.3Very low88 Ų8869.5 Ų69.541%0.41135%0.352SS..  trans-149.5161.7179.5-61-171.1600117.3H2000H2000-Q2075 PolarHBondContact N-O 3.23Å; H2000-Q2075 VanDerWaalsContact N-O 3.14Å
2076H44.7Very low40.1Very low61 Ų6171 Ų7128%0.28236%0.355SS..  trans-160.4149.1179.6-164.5-38.4000118H2000 Y2151 H2152H2000-H2076 AromaticContact CE1-NE2 3.53Å; H2000-H2076 AromaticContact ND1-CD2 3.34Å; H2000-H2076 PolarHBondContact ND1-CD2 3.21Å; H2000-H2076 VanDerWaalsContact ND1-CD2 3.34Å; H2000-H2076 AromaticContact ND1-CE1 3.84Å; H2000-H2076 AromaticContact ND1-NE2 3.07Å; H2000-H2076 PolarHBondContact ND1-NE2 3.36Å; H2000-H2076 WeakPolarHBondContact O-CA 3.36Å; H2000-H2076 WeakPolarHBondContact O-CB 3.45Å; H2000-H2076 PolarHBondContact O-CD2 3.36Å; H2000-H2076 PolarHBondContact O-ND1 3.32Å; H2076-Y2151 VanDerWaalsContact O-O 3.11Å; H2076-H2152 AromaticContact CG-CE1 3.51Å; H2076-H2152 AromaticContact ND1-CE1 3.59Å; H2076-H2152 PolarHBondContact O-ND1 3.09Å
2077E41.3Very low40.1Very low75 Ų7567.8 Ų67.835%0.3534%0.337SS..  trans-131.4170.2173.1-149.8-160117.100115.6E2001 R2079E2001-E2077 HydrophobicContact CG-CB 3.96Å; E2077-R2079 IonicContact OE1-NH1 3.32Å; E2077-R2079 PolarHBondContact OE1-NH1 3.38Å
2078K38.4Very low39.8Very low117 Ų11768.2 Ų68.251%0.50934%0.34SS..  trans-162.5149.5178.5-151.1172.5-175-179.80116T2154K2078-T2154 PolarHBondContact O-OG1 3.42Å
2079R37.7Very low39.5Very low136 Ų13667.3 Ų67.351%0.51334%0.336SS..  trans-150.2150.3-167.7-136.8178.3-165.8106.2-12.4116P2004 E2077P2004-R2079 WeakPolarHBondContact CD-O 3.18Å; P2004-R2079 WeakPolarHBondContact CG-O 3.21Å; E2077-R2079 IonicContact OE1-NH1 3.32Å; E2077-R2079 PolarHBondContact OE1-NH1 3.38Å
2080P37.1Very low38.9Very low77 Ų7766.3 Ų66.350%0.533%0.332SS..  trans-97.5-170.3-171.5-12.634.4000121.3T2154 R2155P2080-T2154 HydrophobicContact CG-CG2 4.08Å; P2080-R2155 WeakPolarHBondContact CD-O 3.43Å; P2080-R2155 WeakPolarHBondContact CG-O 3.07Å
2081E37.2Very low38.8Very low96 Ų9664.6 Ų64.645%0.44933%0.325SS..  trans-126.4162.3-153.6-58.1171.515100118.6P2004 E2005P2004-E2081 HydrophobicContact CB-CG 3.75Å; P2004-E2081 WeakPolarHBondContact CB-OE1 3.44Å; E2005-E2081 PolarHBondContact N-OE1 3.25Å; E2005-E2081 WeakPolarHBondContact O-CG 3.42Å
2082P33.3Very low38.4Very low72 Ų7265.6 Ų65.647%0.46833%0.332SS..  trans-132.4175.2-172.931.8-8.5000120.6I2007I2007-P2082 WeakPolarHBondContact CD1-O 3.45Å; I2007-P2082 WeakPolarHBondContact CG1-O 3.47Å
2083I35.3Very low38.2Very low120 Ų12066.4 Ų66.462%0.61533%0.333SS*.  trans-116.3-178.4-148.8-64.5167.7000119
2084V37.4Very low37.7Very low41 Ų4168.9 Ų68.925%0.24835%0.35CS..  trans-131.1141.3-148.3172.90000122.1I2007 V2008 H2009I2007-V2084 HydrophobicContact CB-CG2 3.63Å; I2007-V2084 HydrophobicContact CG2-CG2 3.48Å; I2007-V2084 VanDerWaalsContact CG2-CG2 3.48Å; V2008-V2084 WeakPolarHBondContact O-CG1 3.46Å; H2009-V2084 WeakPolarHBondContact NE2-CA 3.39Å
2085H31.2Very low37.6Very low25 Ų2569.9 Ų69.912%0.11636%0.358CS..  trans-147.5137.3-170.9-64.2-21.3000125H2009 V2160 P2161 K2162 P2204 Q2206H2009-H2085 PolarHBondContact CE1-N 2.83Å; H2009-H2085 PolarHBondContact CE1-O 3.5Å; H2009-H2085 PolarHBondContact NE2-N 3.26Å; H2085-V2160 WeakPolarHBondContact CE1-CG2 3.41Å; H2085-V2160 VanDerWaalsContact NE2-CA 3.3Å; H2085-V2160 WeakPolarHBondContact NE2-CA 3.37Å; H2085-V2160 WeakPolarHBondContact NE2-CG2 3.42Å; H2085-P2161 VanDerWaalsContact CB-O 3.23Å; H2085-P2161 WeakPolarHBondContact CB-O 3.39Å; H2085-P2161 VanDerWaalsContact CD2-N 3.33Å; H2085-P2161 PolarHBondContact CD2-O 2.76Å; H2085-K2162 HydrophobicContact CB-CG 3.72Å; H2085-P2204 HydrophobicContact CB-CG 4.03Å; H2085-Q2206 VanDerWaalsContact N-NE2 3.17Å; H2085-Q2206 WeakPolarHBondContact O-CG 3.45Å; H2085-Q2206 PolarHBondContact O-NE2 3.33Å
2086K33.5Very low37.7Very low64 Ų6466.5 Ų66.528%0.27834%0.343SS..  trans-116.2169.9-166-73.2171.5166.9176.60122.4K2163 Q2206 E2208K2086-K2163 PolarHBondContact O-N 3.01Å; K2086-Q2206 CarbonylContact C-O 3.18Å; K2086-Q2206 WeakPolarHBondContact CA-O 3.27Å; K2086-Q2206 HydrophobicContact CB-CB 4.4Å; K2086-Q2206 VanDerWaalsContact CB-O 3.31Å; K2086-Q2206 WeakPolarHBondContact CB-O 3.34Å; K2086-Q2206 HydrophobicContact CG-CB 4.06Å; K2086-Q2206 HydrophobicContact CG-CG 4.31Å; K2086-E2208 HydrophobicContact CD-CB 4.26Å; K2086-E2208 WeakPolarHBondContact CD-OE2 3.38Å; K2086-E2208 VanDerWaalsContact CE-OE2 3.29Å; K2086-E2208 WeakPolarHBondContact CE-OE2 3.41Å; K2086-E2208 IonicContact NZ-OE1 2.86Å; K2086-E2208 PolarHBondContact NZ-OE1 3.45Å; K2086-E2208 IonicContact NZ-OE2 3.15Å; K2086-E2208 PolarHBondContact NZ-OE2 3.37Å
2087K31.9Very low37.7Very low28 Ų2869.1 Ų69.112%0.12236%0.358CS..BIsolated β-bridgetrans-159.1-158.5-177-86.8-173.3132.81260116.3K2163 L2164 T2203 P2204 T2205 Q2206 T2207 E2208K2087-K2163 WeakPolarHBondContact CD-O 3.4Å; K2087-K2163 WeakPolarHBondContact CE-O 3.29Å; K2087-K2163 WeakPolarHBondContact CG-O 3.43Å; K2087-K2163 PolarHBondContact NZ-O 3.15Å; K2087-L2164 VanDerWaalsContact C-CD2 3.41Å; K2087-L2164 HydrophobicContact CB-CD2 4.23Å; K2087-L2164 HydrophobicContact CB-CG 4.32Å; K2087-L2164 VanDerWaalsContact CE-C 3.41Å; K2087-L2164 VanDerWaalsContact CE-N 3.3Å; K2087-L2164 HydrophobicContact CG-CB 4.46Å; K2087-L2164 HydrophobicContact CG-CG 4.19Å; K2087-T2203 PolarHBondContact NZ-O 3.45Å; K2087-P2204 WeakPolarHBondContact CD-O 3.48Å; K2087-P2204 VanDerWaalsContact CG-O 3.3Å; K2087-P2204 WeakPolarHBondContact CG-O 3.12Å; K2087-T2205 HydrophobicContact CB-CG2 3.9Å; K2087-T2205 VanDerWaalsContact CD-CB 3.46Å; K2087-T2205 HydrophobicContact CD-CG2 3.69Å; K2087-T2205 WeakPolarHBondContact CD-OG1 3.38Å; K2087-T2205 HydrophobicContact CG-CG2 4.32Å; K2087-T2205 PolarHBondContact NZ-OG1 2.91Å; K2087-Q2206 PolarHBondContact N-O 3.36Å; K2087-Q2206 CarbonylContact O-C 3.5Å; K2087-T2207 VanDerWaalsContact C-N 3.34Å; K2087-T2207 CarbonylContact O-C 3.48Å; K2087-T2207 WeakPolarHBondContact O-CA 3.34Å; K2087-T2207 PolarHBondContact O-N 3.08Å; K2087-E2208 PolarHBondContact O-N 2.87Å
2088L32.6Very low38.3Very low76 Ų7666.6 Ų66.640%0.39835%0.347SS..  trans-169166.9177.3-88.3125.9000115L2012 L2164L2012-L2088 HydrophobicContact CD1-CD2 3.36Å; L2012-L2088 HydrophobicContact CD1-CG 4.4Å; L2088-L2164 HydrophobicContact CB-CD2 3.53Å
2089Q34.8Very low38.5Very low50 Ų5064.1 Ų64.123%0.23434%0.342CS..  trans-170.2153.7-177.7-145.9176-26.700117Q2013 A2166 T2207Q2013-Q2089 CarbonylContact C-O 3.07Å; Q2013-Q2089 VanDerWaalsContact CA-O 3.27Å; Q2013-Q2089 WeakPolarHBondContact CA-O 3.37Å; Q2013-Q2089 HydrophobicContact CG-CB 4.19Å; Q2089-A2166 HydrophobicContact CB-CB 4.34Å; Q2089-A2166 HydrophobicContact CG-CB 3.16Å; Q2089-T2207 HydrophobicContact CB-CG2 4.05Å
2090A34.6Very low38.9Very low25 Ų2557.9 Ų57.921%0.20732%0.318CS..  trans-170.7156.1176.200000121.1A2014 I2015 I2275 V2276A2014-A2090 HydrophobicContact CB-CB 4.09Å; A2014-A2090 CarbonylContact O-C 3.47Å; A2014-A2090 VanDerWaalsContact O-CA 3.27Å; A2014-A2090 WeakPolarHBondContact O-CA 3.18Å; I2015-A2090 HydrophobicContact CD1-CB 3.47Å; I2015-A2090 VanDerWaalsContact CD1-CB 3.47Å; I2015-A2090 HydrophobicContact CG1-CB 3.94Å; A2090-I2275 CarbonylContact O-C 3.59Å; A2090-V2276 WeakPolarHBondContact O-CA 3.15Å; A2090-V2276 PolarHBondContact O-N 3.24Å
2091I41.6Very low39.3Very low21 Ų2156.6 Ų56.611%0.10831%0.309CS..  trans-164.20-149.3-93.6152.9000119.5A2014 I2015 V2168 V2276 Q2277 P2278A2014-I2091 PolarHBondContact O-N 3.07Å; I2015-I2091 CarbonylContact C-O 3.15Å; I2015-I2091 WeakPolarHBondContact CA-O 3.28Å; I2015-I2091 VanDerWaalsContact CB-C 3.45Å; I2015-I2091 WeakPolarHBondContact CB-O 3.42Å; I2015-I2091 WeakPolarHBondContact CG2-O 3.47Å; I2015-I2091 VanDerWaalsContact O-O 3.06Å; I2091-V2168 HydrophobicContact CD1-CG1 4.24Å; I2091-V2168 HydrophobicContact CD1-CG2 3.91Å; I2091-V2168 HydrophobicContact CG1-CG2 4.32Å; I2091-V2276 VanDerWaalsContact CA-CG2 3.42Å; I2091-Q2277 WeakPolarHBondContact CG1-O 3.28Å; I2091-Q2277 WeakPolarHBondContact CG2-O 3.43Å; I2091-P2278 VanDerWaalsContact CG2-N 3.32Å
2092V36.9Very low39.9Very low43 Ų4354.2 Ų54.226%0.26130%0.298SS..  0146.60-173.80000120.7I2015 V2016 V2276 Q2277 P2278I2015-V2092 HydrophobicContact CB-CG2 4.47Å; I2015-V2092 HydrophobicContact CG2-CB 3.82Å; I2015-V2092 HydrophobicContact CG2-CG2 3.08Å; V2016-V2092 HydrophobicContact CB-CB 4.32Å; V2016-V2092 HydrophobicContact CB-CG1 3.65Å; V2016-V2092 HydrophobicContact CG1-CG1 3.89Å; V2016-V2092 CarbonylContact O-C 3.35Å; V2092-V2276 HydrophobicContact CG2-CG2 3.98Å; V2092-Q2277 VanDerWaalsContact N-CA 3.31Å; V2092-Q2277 WeakPolarHBondContact O-CA 3.18Å; V2092-Q2277 WeakPolarHBondContact O-CB 3.22Å; V2092-Q2277 PolarHBondContact O-NE2 2.66Å; V2092-Q2277 VanDerWaalsContact O-NE2 3.08Å; V2092-Q2277 PolarHBondContact O-OE1 3.43Å; V2092-P2278 VanDerWaalsContact O-CA 3.24Å; V2092-P2278 WeakPolarHBondContact O-CA 3.16Å; V2092-P2278 WeakPolarHBondContact O-CB 3.37Å
2093Q40.2Very low40.8Very low108 Ų10852.3 Ų52.351%0.50529%0.285SS..  trans161.3-123.2140.8-144.2177.7-4.900126.8V2016 Q2017 Q2277 P2278V2016-Q2093 PolarHBondContact O-N 2.93Å; Q2017-Q2093 CarbonylContact C-O 2.9Å; Q2017-Q2093 WeakPolarHBondContact CA-O 3.48Å; Q2093-Q2277 VanDerWaalsContact OE1-NE2 3.16Å; Q2093-P2278 HydrophobicContact CB-CB 3.96Å; Q2093-P2278 VanDerWaalsContact N-CA 3.34Å
2094P40.5Very low41.7Very low60 Ų6049.7 Ų49.739%0.3927%0.271SS..  trans-113.60-130.416.96.4000126.2P2018P2018-P2094 WeakPolarHBondContact CG-O 3.37Å
2095P43.4Very low42.4Very low84 Ų8449.4 Ų49.455%0.54527%0.269SS..  0-177.50-31.739.7000133.2P2018 P2019 I2281P2018-P2095 HydrophobicContact CB-CB 4.38Å; P2018-P2095 HydrophobicContact CB-CG 4.11Å; P2018-P2095 VanDerWaalsContact CB-N 3.33Å; P2019-P2095 HydrophobicContact CG-CB 4.42Å; P2095-I2281 WeakPolarHBondContact O-CD1 3.37Å; P2095-I2281 WeakPolarHBondContact O-CG1 3.25Å
2096T48.5Very low43.1Very low18 Ų1850.6 Ų50.611%0.1128%0.275CS..  trans-158.4165.5-153.7-34.40000120.4P2019 T2020 I2281P2019-T2096 WeakPolarHBondContact O-CB 3.42Å; P2019-T2096 WeakPolarHBondContact O-CG2 3.48Å; P2019-T2096 PolarHBondContact O-OG1 3.36Å; T2020-T2096 HydrophobicContact CG2-CG2 4.21Å; T2096-I2281 HydrophobicContact CG2-CB 4.01Å; T2096-I2281 HydrophobicContact CG2-CG1 4.07Å; T2096-I2281 HydrophobicContact CG2-CG2 4.04Å
2097I43.6Very low43.9Very low115 Ų11548.9 Ų48.959%0.5927%0.267SS*.  trans-143.5173.2171.3-60.5-179.3000112.1I2021I2021-I2097 HydrophobicContact CB-CG2 4.41Å; I2021-I2097 HydrophobicContact CD1-CG1 4.28Å
2098N54.1Low44.5Very low22 Ų2249.7 Ų49.712%0.11828%0.275CS..  trans-156.7-168.2-173.9-15988.6000114.6T2020 I2021 N2022 T2283T2020-N2098 HydrophobicContact CG2-CB 4.3Å; I2021-N2098 CarbonylContact O-C 3.2Å; I2021-N2098 WeakPolarHBondContact O-CA 3.19Å; I2021-N2098 WeakPolarHBondContact O-CB 3.44Å; I2021-N2098 PolarHBondContact O-N 3.1Å; N2022-N2098 HydrophobicContact CB-CB 4.49Å; N2022-N2098 VanDerWaalsContact CG-ND2 3.35Å; N2022-N2098 WeakPolarHBondContact OD1-CB 3.36Å; N2022-N2098 PolarHBondContact OD1-ND2 3.36Å; N2098-T2283 VanDerWaalsContact OD1-C 3.23Å; N2098-T2283 WeakPolarHBondContact OD1-CA 3.42Å; N2098-T2283 PolarHBondContact OD1-N 3.08Å
2099T42.9Very low44.8Very low66 Ų6647.8 Ų47.841%0.40527%0.267SS..  trans-158.5162.9-174.2-43.40000117.1E2284T2099-E2284 CarbonylContact C-O 3.53Å; T2099-E2284 WeakPolarHBondContact CB-O 3.31Å; T2099-E2284 CarbonylContact O-C 2.66Å; T2099-E2284 VanDerWaalsContact O-C 3.29Å
2100E46.9Very low45.1Very low4 Ų448 Ų482%0.01927%0.273CS..  trans-159.8-178.1174.1-109.5170.6-67.400119.5N1946 N2022 T2023 E2024 Q2286N1946-E2100 PolarHBondContact ND2-OE1 2.86Å; N2022-E2100 HydrophobicContact CB-CB 4.48Å; N2022-E2100 PolarHBondContact ND2-OE1 3.08Å; T2023-E2100 CarbonylContact O-C 3.44Å; T2023-E2100 WeakPolarHBondContact O-CA 3Å; T2023-E2100 WeakPolarHBondContact O-CB 3.45Å; T2023-E2100 PolarHBondContact O-N 2.83Å; E2024-E2100 HydrophobicContact CB-CB 4.18Å; E2024-E2100 HydrophobicContact CG-CB 3.88Å; E2100-Q2286 PolarHBondContact OE2-NE2 3.26Å
2101T45.5Very low45.4Very low50 Ų5049 Ų4931%0.30728%0.276SS..  trans177.2177.3174.5-82.10000113.6T2025 Q2286T2025-T2101 HydrophobicContact CG2-CG2 4.05Å; T2025-T2101 CarbonylContact O-C 2.89Å; T2101-Q2286 CarbonylContact C-O 3.6Å; T2101-Q2286 CarbonylContact O-C 3.59Å; T2101-Q2286 WeakPolarHBondContact O-CA 3.45Å; T2101-Q2286 WeakPolarHBondContact O-CB 3.49Å; T2101-Q2286 WeakPolarHBondContact O-CG 3.5Å
2102Q50.1Low45.5Very low46 Ų4653 Ų5322%0.21530%0.297CS..  trans-154.4177.3174.3-154.7177.974.400115.6T2025 Q2026 Q2286T2025-Q2102 VanDerWaalsContact C-N 3.33Å; T2025-Q2102 VanDerWaalsContact O-CA 3.25Å; T2025-Q2102 WeakPolarHBondContact O-CA 3.38Å; T2025-Q2102 WeakPolarHBondContact O-CB 3.3Å; T2025-Q2102 PolarHBondContact O-N 3.17Å; Q2026-Q2102 CarbonylContact C-O 3.57Å; Q2026-Q2102 VanDerWaalsContact C-O 3.27Å; Q2026-Q2102 WeakPolarHBondContact CA-O 3.38Å; Q2026-Q2102 HydrophobicContact CB-CB 4.15Å; Q2026-Q2102 HydrophobicContact CG-CB 4.06Å; Q2026-Q2102 HydrophobicContact CG-CG 4.27Å; Q2026-Q2102 VanDerWaalsContact CG-OE1 3.29Å; Q2102-Q2286 HydrophobicContact CB-CG 4.31Å; Q2102-Q2286 HydrophobicContact CG-CG 4.09Å; Q2102-Q2286 PolarHBondContact N-O 3.11Å
2103T51Low45.7Very low32 Ų3254.1 Ų54.120%0.19630%0.301CS..  trans-168.9178178.8-72.90000109.4T2027 T2287 M2288T2027-T2103 WeakPolarHBondContact CB-OG1 3.42Å; T2027-T2103 HydrophobicContact CG2-CG2 3.95Å; T2027-T2103 CarbonylContact O-C 3.59Å; T2103-T2287 WeakPolarHBondContact CB-OG1 3.48Å; T2103-T2287 HydrophobicContact CG2-CG2 3.93Å; T2103-T2287 PolarHBondContact OG1-OG1 3.24Å; T2103-M2288 WeakPolarHBondContact O-CA 3.23Å; T2103-M2288 WeakPolarHBondContact O-CB 3.46Å; T2103-M2288 PolarHBondContact O-N 2.9Å
2104M53.6Low45.9Very low66 Ų6651.1 Ų51.133%0.32529%0.291SS..  trans-151151.6174.9170179.6152.700111.9T2027 M2028 V2029 M2288T2027-M2104 VanDerWaalsContact O-CB 3.3Å; T2027-M2104 WeakPolarHBondContact O-CB 3.37Å; T2027-M2104 PolarHBondContact O-N 3.04Å; M2028-M2104 CarbonylContact C-O 3.24Å; M2028-M2104 WeakPolarHBondContact CA-O 3.48Å; M2028-M2104 HydrophobicContact CB-CB 4.32Å; M2028-M2104 HydrophobicContact CE-CE 4.35Å; M2028-M2104 HydrophobicContact CG-CB 3.8Å; M2028-M2104 HydrophobicContact CG-CE 3.75Å; M2028-M2104 HydrophobicContact CG-CG 3.68Å; M2028-M2104 HydrophobicContact CG-SD 3.53Å; M2028-M2104 VanDerWaalsContact CG-SD 3.53Å; M2028-M2104 HydrophobicContact SD-CE 3.88Å; M2028-M2104 HydrophobicContact SD-SD 4.21Å; V2029-M2104 PolarHBondContact N-O 2.66Å; M2104-M2288 CarbonylContact C-O 3.56Å; M2104-M2288 WeakPolarHBondContact CA-O 3.36Å; M2104-M2288 HydrophobicContact CB-CB 4.48Å; M2104-M2288 HydrophobicContact CG-CE 4.34Å; M2104-M2288 HydrophobicContact CG-SD 4.31Å; M2104-M2288 PolarHBondContact N-O 3.4Å
2105V53.7Low45.9Very low34 Ų3450.9 Ų50.921%0.20629%0.289CS..  trans-152151.3173.8-176.30000109.5V2029 M2288 V2289 E2290V2029-V2105 HydrophobicContact CB-CB 3.98Å; V2029-V2105 HydrophobicContact CB-CG1 3.84Å; V2029-V2105 HydrophobicContact CB-CG2 3.81Å; V2029-V2105 HydrophobicContact CG1-CG1 3.99Å; V2029-V2105 HydrophobicContact CG2-CB 4.46Å; V2029-V2105 HydrophobicContact CG2-CG2 3.73Å; V2029-V2105 CarbonylContact O-C 3.52Å; V2029-V2105 WeakPolarHBondContact O-CA 3.48Å; V2105-M2288 PolarHBondContact N-O 2.91Å; V2105-M2288 VanDerWaalsContact N-O 3.14Å; V2105-V2289 HydrophobicContact CB-CB 4.14Å; V2105-V2289 HydrophobicContact CB-CG1 3.83Å; V2105-V2289 HydrophobicContact CB-CG2 4.25Å; V2105-V2289 HydrophobicContact CG1-CG1 4.14Å; V2105-V2289 HydrophobicContact CG2-CB 4.22Å; V2105-V2289 HydrophobicContact CG2-CG1 4.12Å; V2105-V2289 HydrophobicContact CG2-CG2 3.76Å; V2105-E2290 VanDerWaalsContact O-CB 3.23Å; V2105-E2290 WeakPolarHBondContact O-CB 3.43Å; V2105-E2290 PolarHBondContact O-N 2.98Å
2106E46.1Very low45.7Very low51 Ų5151.4 Ų51.424%0.23828%0.283CS..  trans-108.2148.4-171.2-154.7-152.8164.500115.4R1955 V2029 E2030 R2031 E2290R1955-E2106 IonicContact NH2-OE2 3.47Å; V2029-E2106 PolarHBondContact O-N 2.79Å; V2029-E2106 VanDerWaalsContact O-N 3.11Å; E2030-E2106 WeakPolarHBondContact CG-OE2 3.49Å; R2031-E2106 HydrophobicContact CB-CB 3.85Å; R2031-E2106 VanDerWaalsContact CB-CD 3.41Å; R2031-E2106 HydrophobicContact CB-CG 3.87Å; R2031-E2106 WeakPolarHBondContact CB-OE2 2.96Å; R2031-E2106 IonicContact CZ-OE1 2.67Å; R2031-E2106 PolarHBondContact N-OE2 3.46Å; R2031-E2106 IonicContact NE-OE1 3.38Å; R2031-E2106 PolarHBondContact NE-OE1 2.8Å; R2031-E2106 IonicContact NE-OE2 3.43Å; R2031-E2106 IonicContact NH2-OE1 3.52Å; R2031-E2106 PolarHBondContact NH2-OE1 3.03Å; E2106-E2290 WeakPolarHBondContact CA-OE2 3.24Å; E2106-E2290 VanDerWaalsContact CG-OE2 3.29Å; E2106-E2290 WeakPolarHBondContact CG-OE2 3.2Å
2107R49.5Very low45.4Very low28 Ų2853.6 Ų53.611%0.10630%0.296CS..PPolyproline II helixtrans-78.2123-157.1166.5-173.4-78.2136.4-2.5118.5R2031 E2290 G2291 E2366R2031-R2107 WeakPolarHBondContact CD-O 3.37Å; R2031-R2107 WeakPolarHBondContact CG-O 3.31Å; R2031-R2107 PolarHBondContact NE-O 3.2Å; R2031-R2107 PolarHBondContact NH1-O 3.12Å; R2107-E2290 WeakPolarHBondContact CA-O 3.3Å; R2107-E2290 HydrophobicContact CB-CB 3.81Å; R2107-E2290 HydrophobicContact CB-CG 3.51Å; R2107-E2290 WeakPolarHBondContact CB-OE1 3.25Å; R2107-E2290 VanDerWaalsContact CB-OE2 3.32Å; R2107-E2290 WeakPolarHBondContact CB-OE2 3.5Å; R2107-E2290 WeakPolarHBondContact CD-OE1 3.48Å; R2107-E2290 IonicContact CZ-OE1 2.76Å; R2107-E2290 PolarHBondContact N-OE2 3.46Å; R2107-E2290 IonicContact NE-OE1 3.39Å; R2107-E2290 PolarHBondContact NE-OE1 3.33Å; R2107-E2290 IonicContact NH1-OE1 3.19Å; R2107-E2290 PolarHBondContact NH1-OE1 3Å; R2107-G2291 PolarHBondContact NE-O 3.45Å; R2107-E2366 IonicContact CZ-OE2 2.71Å; R2107-E2366 IonicContact NH1-OE2 3.03Å; R2107-E2366 PolarHBondContact NH1-OE2 2.73Å; R2107-E2366 VanDerWaalsContact NH2-C 3.27Å; R2107-E2366 PolarHBondContact NH2-O 3.36Å; R2107-E2366 IonicContact NH2-OE2 3.9Å; R2107-E2366 PolarHBondContact NH2-OE2 2.71Å
2108P43.6Very low45.2Very low44 Ų4450.6 Ų50.629%0.28628%0.279SS..PPolyproline II helixtrans-60131.4164.7-18.429.9000112.8P2032 P2292 P2293P2032-P2108 HydrophobicContact CG-CG 4.38Å; P2108-P2292 HydrophobicContact CB-CB 4.45Å; P2108-P2292 WeakPolarHBondContact O-CA 3.25Å; P2108-P2292 WeakPolarHBondContact O-CB 3.31Å; P2108-P2293 WeakPolarHBondContact O-CD 3.15Å
2109P40.7Very low44.3Very low37 Ų3753.3 Ų53.324%0.2429%0.293CS..PPolyproline II helixtrans-74.4169.5-179.924.2-27.5000114.5P2032 P2034P2032-P2109 WeakPolarHBondContact O-CD 3.49Å; P2034-P2109 HydrophobicContact CB-CB 4.13Å; P2034-P2109 HydrophobicContact CB-CG 3.77Å; P2034-P2109 HydrophobicContact CG-CB 4.36Å; P2034-P2109 HydrophobicContact CG-CG 3.84Å
2110P40.5Very low44Very low54 Ų5452.6 Ų52.635%0.35129%0.289SS..PPolyproline II helixtrans-74.8146.7-160.724.7-28.3000115P2293P2110-P2293 HydrophobicContact CB-CG 3.88Å; P2110-P2293 HydrophobicContact CG-CG 4.01Å
2111V40.4Very low43.5Very low47 Ų4756.9 Ų56.929%0.28531%0.309SS..  trans-92.9110168.1177.10000108.7V2035 L2037 L2113 V2295V2035-V2111 HydrophobicContact CB-CG2 4.48Å; V2035-V2111 WeakPolarHBondContact O-CA 3.48Å; L2037-V2111 HydrophobicContact CD1-CG1 3.99Å; L2037-V2111 HydrophobicContact CG-CG1 4.29Å; V2111-L2113 HydrophobicContact CG1-CD2 4.37Å; V2111-L2113 HydrophobicContact CG1-CG 4.47Å; V2111-L2113 PolarHBondContact O-N 2.84Å; V2111-V2295 WeakPolarHBondContact O-CG1 3.26Å; V2111-V2295 WeakPolarHBondContact O-CG2 3.3Å
2112I43.9Very low43.2Very low105 Ų10557.5 Ų57.554%0.53831%0.313SS..  trans-79.3122.9176.7-60.9176.8000108.9P2114I2112-P2114 WeakPolarHBondContact O-CD 3.37Å
2113L40.2Very low42.5Very low66 Ų6659 Ų5935%0.34632%0.32SS..  trans-108.896.8174.9-72.5-176.8000110.3L2037 V2111 V2295 L2297 P2298L2037-L2113 HydrophobicContact CB-CD2 3.85Å; L2037-L2113 HydrophobicContact CD1-CD2 3.94Å; V2111-L2113 HydrophobicContact CG1-CD2 4.37Å; V2111-L2113 HydrophobicContact CG1-CG 4.47Å; V2111-L2113 PolarHBondContact O-N 2.84Å; L2113-V2295 HydrophobicContact CB-CG1 3.86Å; L2113-V2295 HydrophobicContact CD1-CG1 3.89Å; L2113-V2295 HydrophobicContact CG-CG1 3.83Å; L2113-L2297 HydrophobicContact CB-CD2 4.04Å; L2113-L2297 HydrophobicContact CD1-CD2 4.11Å; L2113-P2298 WeakPolarHBondContact O-CD 3.25Å
2114P44.7Very low42Very low44 Ų4461.3 Ų61.329%0.28634%0.337SS..  trans-65.4158.9176.227.3-32000111.8L2037 P2039 I2112L2037-P2114 WeakPolarHBondContact O-CD 3.43Å; P2039-P2114 HydrophobicContact CB-CB 4.09Å; P2039-P2114 HydrophobicContact CB-CG 3.77Å; P2039-P2114 HydrophobicContact CG-CB 4.39Å; P2039-P2114 HydrophobicContact CG-CG 4.04Å; I2112-P2114 WeakPolarHBondContact O-CD 3.37Å
2115P40.4Very low41.2Very low55 Ų5559.7 Ų59.736%0.35734%0.337SS..  trans-70139.1-168.327.9-29.9000111V2117 P2298P2115-V2117 PolarHBondContact O-N 3.45Å; P2115-P2298 HydrophobicContact CB-CB 4.23Å; P2115-P2298 HydrophobicContact CB-CG 3.88Å; P2115-P2298 HydrophobicContact CG-CB 4.31Å; P2115-P2298 HydrophobicContact CG-CG 3.96Å
2116K40.8Very low40.3Very low95 Ų9560.9 Ų60.941%0.41334%0.344SS..  trans-82.1108.1162.6-62.6-174.4-177177.60108.1F2118K2116-F2118 HydrophobicContact CB-CD2 4.17Å; K2116-F2118 HydrophobicContact CB-CE2 3.46Å; K2116-F2118 VanDerWaalsContact CB-CE2 3.46Å; K2116-F2118 HydrophobicContact CB-CZ 4.02Å; K2116-F2118 HydrophobicContact CD-CE2 4.13Å; K2116-F2118 HydrophobicContact CD-CZ 4.02Å; K2116-F2118 HydrophobicContact CG-CE2 4.46Å
2117V41.4Very low39.4Very low65 Ų6561.5 Ų61.539%0.39435%0.351SS..  trans-80.4142.4167.4-172.50000108P2115P2115-V2117 PolarHBondContact O-N 3.45Å
2118F39.4Very low38.8Very low51 Ų5163.2 Ų63.222%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-141.3100.5176.4-66.6-88.1000107.6F2042 K2116 V2120 F2302F2042-F2118 HydrophobicContact CB-CD1 3.92Å; F2042-F2118 HydrophobicContact CB-CE1 4.01Å; F2042-F2118 HydrophobicContact CD2-CD1 4.22Å; F2042-F2118 AromaticContact CD2-CE1 3.51Å; F2042-F2118 HydrophobicContact CD2-CE1 3.51Å; F2042-F2118 HydrophobicContact CD2-CZ 4.04Å; F2042-F2118 HydrophobicContact CE2-CE1 4.26Å; F2042-F2118 HydrophobicContact CE2-CZ 4.49Å; F2042-F2118 HydrophobicContact CG-CD1 4.43Å; F2042-F2118 HydrophobicContact CG-CE1 4.01Å; K2116-F2118 HydrophobicContact CB-CD2 4.17Å; K2116-F2118 HydrophobicContact CB-CE2 3.46Å; K2116-F2118 VanDerWaalsContact CB-CE2 3.46Å; K2116-F2118 HydrophobicContact CB-CZ 4.02Å; K2116-F2118 HydrophobicContact CD-CE2 4.13Å; K2116-F2118 HydrophobicContact CD-CZ 4.02Å; K2116-F2118 HydrophobicContact CG-CE2 4.46Å; F2118-V2120 HydrophobicContact CB-CG2 4.49Å; F2118-F2302 HydrophobicContact CB-CD1 4.27Å; F2118-F2302 HydrophobicContact CB-CE1 4.12Å; F2118-F2302 AromaticContact CD2-CE1 3.88Å; F2118-F2302 HydrophobicContact CD2-CE1 3.88Å; F2118-F2302 HydrophobicContact CG-CE1 4.34Å
2119D34.7Very low38.4Very low79 Ų7962.8 Ų62.842%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-89.2127.1162.4-77.6-59.4000107.8V2044V2044-D2119 PolarHBondContact N-O 2.72Å
2120V37.6Very low38Very low51 Ų5164.9 Ų64.931%0.30937%0.37SS..  trans-137.581.6-178.2-174.20000107.8F2118 T2122F2118-V2120 HydrophobicContact CB-CG2 4.49Å; V2120-T2122 HydrophobicContact CG1-CG2 4.43Å
2121Q36.8Very low37.7Very low94 Ų9463 Ų6344%0.43936%0.357SS..  trans-79.1121169.2-78.5-172.8-18.900109.9T2046T2046-Q2121 PolarHBondContact N-O 2.95Å
2122T38.8Very low37.3Very low64 Ų6467.4 Ų67.439%0.39338%0.375SS..EExtended strand (participates in β ladder)trans-114120170.742.70000109.6V2120V2120-T2122 HydrophobicContact CG1-CG2 4.43Å
2123Q36Very low36.9Very low78 Ų7863 Ų6336%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-115125.6173.8-78.2-176.4-25.300110.2T2046 Q2047 S2048T2046-Q2123 PolarHBondContact O-N 3.24Å; Q2047-Q2123 HydrophobicContact CG-CB 4.2Å; S2048-Q2123 PolarHBondContact N-O 2.91Å; S2048-Q2123 PolarHBondContact OG-O 3.3Å
2124S39.4Very low36.5Very low80 Ų8065.1 Ų65.156%0.55936%0.361SS*.PPolyproline II helixtrans-90.4122.1-177.757.80000112.3S2048S2048-S2124 VanDerWaalsContact OG-CA 3.3Å; S2048-S2124 WeakPolarHBondContact OG-CA 3.23Å
2125G36.5Very low36Very low31 Ų3166 Ų6632%0.3237%0.365SS..PPolyproline II helixtrans-68.8160.4171.400000113.6S2048S2048-G2125 WeakPolarHBondContact O-CA 3.48Å; S2048-G2125 PolarHBondContact O-N 2.9Å; S2048-G2125 PolarHBondContact OG-N 2.76Å
2126T35.3Very low35.8Very low59 Ų5965.9 Ų65.936%0.36237%0.365SS..PPolyproline II helixtrans-83.9147.1174.837.70000112.6T2050 V2051 V2311T2050-T2126 WeakPolarHBondContact CA-O 3.27Å; T2050-T2126 VanDerWaalsContact CG2-OG1 3.28Å; T2050-T2126 WeakPolarHBondContact CG2-OG1 3.38Å; V2051-T2126 PolarHBondContact N-O 2.72Å; T2126-V2311 HydrophobicContact CG2-CG2 4.49Å
2127V28Very low35.5Very low64 Ų6465.5 Ų65.539%0.38837%0.365SS..EExtended strand (participates in β ladder)trans-114.8120.8171.2177.90000108.5V2051 I2129V2051-V2127 HydrophobicContact CB-CG2 4.44Å; V2051-V2127 WeakPolarHBondContact O-CA 3.36Å; V2127-I2129 HydrophobicContact CG1-CD1 3.62Å; V2127-I2129 HydrophobicContact CG1-CG1 3.88Å
2128T36.9Very low34.9Very low64 Ų6465.6 Ų65.639%0.39336%0.361SS..EExtended strand (participates in β ladder)trans-107.5110.6175.7-58.30000108.5V2051 I2053V2051-T2128 PolarHBondContact O-N 3.16Å; V2051-T2128 VanDerWaalsContact O-N 3.11Å; I2053-T2128 PolarHBondContact N-O 3.19Å
2129I33.2Very low34.6Very low35 Ų3568 Ų6818%0.17937%0.373CS..EExtended strand (participates in β ladder)trans-114108175.4-70.9154.7000108.7I2053 V2127 I2235I2053-I2129 HydrophobicContact CB-CG1 4.22Å; I2053-I2129 WeakPolarHBondContact O-CA 3.39Å; V2127-I2129 HydrophobicContact CG1-CD1 3.62Å; V2127-I2129 HydrophobicContact CG1-CG1 3.88Å; I2129-I2235 HydrophobicContact CD1-CG2 3.68Å
2130N32.7Very low34.4Very low82 Ų8271.6 Ų71.644%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-95120169.4-63.6-43.8000108.4I2053 N2054 S2055I2053-N2130 PolarHBondContact O-N 3.08Å; N2054-N2130 PolarHBondContact OD1-ND2 3.25Å; S2055-N2130 PolarHBondContact N-O 3.08Å
2131S34.9Very low34.3Very low13 Ų1371.1 Ų71.19%0.09138%0.378CS..  trans-139.2135.1172-70.20000109.8S2055 T2238S2055-S2131 WeakPolarHBondContact O-CA 3.46Å; S2055-S2131 WeakPolarHBondContact O-CB 3.47Å; S2055-S2131 PolarHBondContact O-OG 2.89Å; S2131-T2238 CarbonylContact O-C 3.52Å
2132E31.7Very low34.1Very low140 Ų14069.5 Ų69.565%0.65437%0.374SS*.  trans-110.7147.4166-62-166.3174.800109T2057T2057-E2132 PolarHBondContact N-O 3.04Å
2133T35.8Very low34Very low14 Ų1469.6 Ų69.69%0.08638%0.375CS..  trans-15178.7-173.2-46.30000110.2T2059 T2135 Q2239T2059-T2133 VanDerWaalsContact OG1-CG2 3.3Å; T2059-T2133 WeakPolarHBondContact OG1-CG2 3.38Å; T2133-T2135 PolarHBondContact O-OG1 3.48Å; T2133-Q2239 VanDerWaalsContact CB-NE2 3.29Å; T2133-Q2239 PolarHBondContact OG1-NE2 3.5Å
2134Q32.1Very low34Very low110 Ų11067.4 Ų67.451%0.51437%0.37SS..  trans-68.6132.7173-165.1174.743.400110T2059T2059-Q2134 PolarHBondContact N-O 3.08Å
2135T33.9Very low34.1Very low61 Ų6166.3 Ų66.337%0.37436%0.36SS..  trans-134.1100-175.6-46.10000109.8T2133T2133-T2135 PolarHBondContact O-OG1 3.48Å
2136P36Very low34.3Very low53 Ų5370.9 Ų70.934%0.34437%0.371SS..  trans-93.5-174.9-167.3-1.622.7000114.3Q2061Q2061-P2136 HydrophobicContact CG-CB 3.59Å; Q2061-P2136 HydrophobicContact CG-CG 3.77Å
2137Q33.7Very low34.5Very low87 Ų8769.7 Ų69.741%0.40736%0.363SS..  trans-68.6134.4-165.2-156.7162.915.100114.9Q2061 P2244 G2245Q2061-Q2137 PolarHBondContact NE2-O 3.49Å; Q2137-P2244 VanDerWaalsContact CA-CG 3.42Å; Q2137-P2244 HydrophobicContact CB-CB 4.12Å; Q2137-P2244 HydrophobicContact CB-CG 3.45Å; Q2137-P2244 VanDerWaalsContact CB-CG 3.45Å; Q2137-P2244 HydrophobicContact CG-CB 3.96Å; Q2137-P2244 HydrophobicContact CG-CG 3.69Å; Q2137-G2245 PolarHBondContact NE2-O 3.32Å
2138E30.5Very low35.1Very low68 Ų6868.3 Ų68.332%0.31836%0.358SS..  trans-119.9170.1170.4-172.7155.3-152.800109.1E2062 H2063 R2064E2062-E2138 VanDerWaalsContact O-CD 3.32Å; E2062-E2138 WeakPolarHBondContact O-CG 3.41Å; H2063-E2138 VanDerWaalsContact CA-OE1 3.23Å; H2063-E2138 WeakPolarHBondContact CA-OE1 3.25Å; H2063-E2138 PolarHBondContact N-OE1 3.08Å; R2064-E2138 WeakPolarHBondContact CB-OE1 3.45Å; R2064-E2138 PolarHBondContact N-OE1 3.28Å
2139H31.5Very low35.7Very low102 Ų10266.8 Ų66.847%0.47235%0.349SS..  trans-138.5140.6-172.1-105-27.8000115.1E2246H2139-E2246 VanDerWaalsContact CA-OE1 3.22Å; H2139-E2246 WeakPolarHBondContact CA-OE1 3.24Å
2140R30.4Very low36.2Very low154 Ų15467.9 Ų67.958%0.58136%0.358SS*.  trans-77.2130.5-152.5-150.7-176.9-158-85.32.2116.1E2246 K2248R2140-E2246 WeakPolarHBondContact CA-OE1 3.43Å; R2140-E2246 WeakPolarHBondContact CB-OE1 3.26Å; R2140-E2246 WeakPolarHBondContact CG-OE2 3.47Å; R2140-E2246 PolarHBondContact N-OE1 3.04Å; R2140-E2246 IonicContact NE-OE2 3.9Å; R2140-K2248 WeakPolarHBondContact CD-O 3.29Å
2141P35.5Very low36.5Very low41 Ų4169.4 Ų69.427%0.26636%0.358SS..  trans-84.7170.316226.3-25.2000114.9P2065 I2066P2065-P2141 VanDerWaalsContact C-CB 3.41Å; P2065-P2141 WeakPolarHBondContact O-CB 3.46Å; P2065-P2141 WeakPolarHBondContact O-CG 3.33Å; I2066-P2141 HydrophobicContact CB-CB 4.28Å; I2066-P2141 HydrophobicContact CG1-CB 3.75Å
2142V33.4Very low36.9Very low59 Ų5972.7 Ų72.736%0.35837%0.372SS..  trans-112.1150.9-178.8178.90000110.1I2066 I2067 V2251I2066-V2142 WeakPolarHBondContact CG2-O 3.37Å; I2067-V2142 VanDerWaalsContact O-O 3.04Å; V2142-V2251 HydrophobicContact CG1-CG2 3.95Å
2143V35.7Very low37Very low67 Ų6769.8 Ų69.841%0.40636%0.358SS..  trans-141.3134.5176-173.20000109.7I2067 V2251I2067-V2143 HydrophobicContact CB-CG2 4.41Å; I2067-V2143 VanDerWaalsContact O-CA 3.26Å; I2067-V2143 WeakPolarHBondContact O-CA 3.46Å; I2067-V2143 WeakPolarHBondContact O-CG2 3.48Å; V2143-V2251 WeakPolarHBondContact O-CG1 3.46Å; V2143-V2251 WeakPolarHBondContact O-CG2 3.27Å
2144A37.6Very low37.2Very low31 Ų3170.7 Ų70.726%0.25636%0.364SS..  trans-126.3148.5176.200000111.9E2068 V2069 V2251E2068-A2144 HydrophobicContact CG-CB 4.27Å; E2068-A2144 WeakPolarHBondContact CG-O 3.22Å; V2069-A2144 PolarHBondContact N-O 2.91Å; A2144-V2251 HydrophobicContact CB-CG1 4.05Å
2145T41.4Very low37.2Very low57 Ų5772.4 Ų72.435%0.3537%0.366SS..  trans-154.1152.9-171.2-53.70000110.8V2069V2069-T2145 WeakPolarHBondContact O-CA 3.45Å; V2069-T2145 VanDerWaalsContact O-CB 3.3Å; V2069-T2145 WeakPolarHBondContact O-CB 3.29Å; V2069-T2145 WeakPolarHBondContact O-CG2 3.41Å; V2069-T2145 PolarHBondContact O-OG1 3.36Å
2146K39.4Very low37.3Very low127 Ų12773 Ų7355%0.55237%0.371SS*.  trans-119.9-68.2-164-56.9-159.6170.8-168.50118.6K2070 R2254K2070-K2146 PolarHBondContact O-N 2.88Å; K2070-K2146 VanDerWaalsContact O-N 3.15Å; K2146-R2254 VanDerWaalsContact O-O 3.07Å
2147D40Very low37Very low35 Ų3572.2 Ų72.219%0.18737%0.365CS..BIsolated β-bridgetrans-122.9144.7-157.3-33.7-33.9000115.8K1049 L2072K1049-D2147 IonicContact NZ-OD2 3.5Å; K1049-D2147 PolarHBondContact NZ-OD2 3.49Å; L2072-D2147 PolarHBondContact N-O 2.67Å
2148A41.3Very low37Very low34 Ų3474.1 Ų74.128%0.28137%0.374SS..  trans-159.3152.6175.400000119.6L2072L2072-A2148 WeakPolarHBondContact O-CA 3.48Å; L2072-A2148 WeakPolarHBondContact O-CB 3.35Å
2149S48.9Very low37Very low32 Ų3273.7 Ų73.722%0.22438%0.378CS..  trans-163.1165.3-178.161.70000119.7T2074T2074-S2149 PolarHBondContact N-O 2.89Å; T2074-S2149 VanDerWaalsContact O-O 3.12Å
2150V44.1Very low36.9Very low59 Ų5970.3 Ų70.336%0.35836%0.364SS..  trans-152.2153-175.1-170.30000118.1T2074 T2257 M2258T2074-V2150 VanDerWaalsContact O-CA 3.29Å; T2074-V2150 WeakPolarHBondContact O-CA 3.18Å; V2150-T2257 PolarHBondContact N-O 2.77Å; V2150-M2258 HydrophobicContact CB-CG 4.21Å; V2150-M2258 WeakPolarHBondContact O-CA 3.31Å
2151Y38.6Very low36.9Very low113 Ų11364 Ų6444%0.44334%0.344SS..  trans-147.6163.7-173.8-78.1-92.3000119.6H2076H2076-Y2151 VanDerWaalsContact O-O 3.11Å
2152H42.8Very low36.5Very low82 Ų8265.9 Ų65.938%0.3835%0.348SS..  trans-163.3150.5-179.1-101.7-26.5000119.3H2076 Q2259 H2260H2076-H2152 AromaticContact CG-CE1 3.51Å; H2076-H2152 AromaticContact ND1-CE1 3.59Å; H2076-H2152 PolarHBondContact O-ND1 3.09Å; H2152-Q2259 WeakPolarHBondContact CB-O 3.47Å; H2152-H2260 AromaticContact CD2-CD2 3.93Å
2153E34Very low36.2Very low79 Ų7966.1 Ų66.137%0.36934%0.344SS..  trans-153.9172173.7-144.2-150100.500117.6R2155E2153-R2155 IonicContact OE1-CZ 3.81Å; E2153-R2155 VanDerWaalsContact OE1-CZ 3.26Å; E2153-R2155 IonicContact OE1-NE 3.11Å; E2153-R2155 PolarHBondContact OE1-NE 2.79Å; E2153-R2155 IonicContact OE1-NH2 3.29Å; E2153-R2155 PolarHBondContact OE1-NH2 2.76Å; E2153-R2155 IonicContact OE2-CZ 2.84Å; E2153-R2155 IonicContact OE2-NH2 2.69Å; E2153-R2155 PolarHBondContact OE2-NH2 2.8Å
2154T39.7Very low35.8Very low34 Ų3464.2 Ų64.221%0.20933%0.331CS..  trans-166150.3178.6-53.80000117.3K2078 P2080K2078-T2154 PolarHBondContact O-OG1 3.42Å; P2080-T2154 HydrophobicContact CG-CG2 4.08Å
2155R33.2Very low35.4Very low146 Ų14664 Ų6455%0.55133%0.325SS*.  trans-145.2173.5-172.7-61-169.9-171-167.93.1118.6P2080 E2153P2080-R2155 WeakPolarHBondContact CD-O 3.43Å; P2080-R2155 WeakPolarHBondContact CG-O 3.07Å; E2153-R2155 IonicContact OE1-CZ 3.81Å; E2153-R2155 VanDerWaalsContact OE1-CZ 3.26Å; E2153-R2155 IonicContact OE1-NE 3.11Å; E2153-R2155 PolarHBondContact OE1-NE 2.79Å; E2153-R2155 IonicContact OE1-NH2 3.29Å; E2153-R2155 PolarHBondContact OE1-NH2 2.76Å; E2153-R2155 IonicContact OE2-CZ 2.84Å; E2153-R2155 IonicContact OE2-NH2 2.69Å; E2153-R2155 PolarHBondContact OE2-NH2 2.8Å
2156P34.9Very low34.7Very low74 Ų7461.6 Ų61.648%0.48131%0.31SS..  trans-117.9-164.6-159.944.5-39.3000124.3S2263 P2264P2156-S2263 VanDerWaalsContact CB-CB 3.49Å; P2156-P2264 HydrophobicContact CB-CG 4.25Å; P2156-P2264 VanDerWaalsContact CB-N 3.31Å
2157V31.3Very low34.8Very low35 Ų3559.1 Ų59.121%0.21230%0.303CS..  trans-133.4155.1-148.8-177.20000119.9P2264V2157-P2264 PolarHBondContact N-O 2.93Å; V2157-P2264 VanDerWaalsContact N-O 3.13Å
2158Q32.4Very low34.3Very low128 Ų12860.3 Ų60.360%0.59831%0.311SS*.  trans-145-155.1173-53.4-165.619.700117.9P2266 P2342Q2158-P2266 HydrophobicContact CB-CG 4.17Å; Q2158-P2266 HydrophobicContact CG-CG 4.48Å; Q2158-P2342 HydrophobicContact CB-CG 4.31Å; Q2158-P2342 HydrophobicContact CG-CG 3.4Å
2159S31.7Very low33.9Very low58 Ų5863 Ų6341%0.40632%0.324SS..  trans-155-172.4-161.478.20000116.8I2267 I2343S2159-I2267 WeakPolarHBondContact CB-O 3.43Å; S2159-I2267 PolarHBondContact OG-O 3.32Å; S2159-I2343 PolarHBondContact OG-O 2.9Å; S2159-I2343 VanDerWaalsContact OG-O 3.14Å
2160V29.4Very low33.2Very low31 Ų3170.6 Ų70.619%0.18835%0.348CS..  cis-174.40-5.495.80000114.7H2085 I2267 V2268 V2344H2085-V2160 WeakPolarHBondContact CE1-CG2 3.41Å; H2085-V2160 VanDerWaalsContact NE2-CA 3.3Å; H2085-V2160 WeakPolarHBondContact NE2-CA 3.37Å; H2085-V2160 WeakPolarHBondContact NE2-CG2 3.42Å; V2160-I2267 WeakPolarHBondContact CB-O 3.08Å; V2160-I2267 WeakPolarHBondContact CG2-O 3.33Å; V2160-V2268 HydrophobicContact CG2-CB 4.2Å; V2160-V2268 HydrophobicContact CG2-CG1 4.16Å; V2160-V2268 HydrophobicContact CG2-CG2 4.12Å; V2160-V2344 HydrophobicContact CG1-CB 3.86Å; V2160-V2344 HydrophobicContact CG1-CG1 4.07Å
2161P29.1Very low32.4Very low22 Ų2272.6 Ų72.614%0.14336%0.362CS..  0-166.2044.6-18.7000120.8H2085 P2204 H2269 H2345H2085-P2161 VanDerWaalsContact CB-O 3.23Å; H2085-P2161 WeakPolarHBondContact CB-O 3.39Å; H2085-P2161 VanDerWaalsContact CD2-N 3.33Å; H2085-P2161 PolarHBondContact CD2-O 2.76Å; P2161-P2204 WeakPolarHBondContact O-CD 3.47Å; P2161-P2204 VanDerWaalsContact O-CG 3.27Å; P2161-P2204 WeakPolarHBondContact O-CG 3.4Å; P2161-H2269 WeakPolarHBondContact CB-O 3.42Å; P2161-H2345 WeakPolarHBondContact CB-O 3.4Å
2162K28.6Very low31.9Very low80 Ų8075.5 Ų75.535%0.34838%0.384SS..BIsolated β-bridgetrans-139.9158.2-173.8-62.6178.4176.8164.30121H2085 T2203 H2269 K2270H2085-K2162 HydrophobicContact CB-CG 3.72Å; K2162-T2203 VanDerWaalsContact C-CG2 3.42Å; K2162-T2203 WeakPolarHBondContact O-CG2 3.4Å; K2162-H2269 PolarHBondContact N-O 3.11Å; K2162-H2269 VanDerWaalsContact N-O 3.09Å; K2162-K2270 VanDerWaalsContact O-CA 3.3Å; K2162-K2270 WeakPolarHBondContact O-CA 3.26Å
2163K26.9Very low31Very low64 Ų6479.4 Ų79.428%0.27840%0.403SS..  trans107.6-178165.5-66.9168.6169.7175.90119.2K2086 K2087 T2203 K2270 K2271 L2272K2086-K2163 PolarHBondContact O-N 3.01Å; K2087-K2163 WeakPolarHBondContact CD-O 3.4Å; K2087-K2163 WeakPolarHBondContact CE-O 3.29Å; K2087-K2163 WeakPolarHBondContact CG-O 3.43Å; K2087-K2163 PolarHBondContact NZ-O 3.15Å; K2163-T2203 HydrophobicContact CB-CG2 4.24Å; K2163-T2203 WeakPolarHBondContact O-CG2 3.44Å; K2163-K2270 HydrophobicContact CD-CB 3.99Å; K2163-K2270 PolarHBondContact NZ-O 3.24Å; K2163-K2271 CarbonylContact C-O 3.55Å; K2163-K2271 WeakPolarHBondContact CB-O 3.42Å; K2163-K2271 VanDerWaalsContact CD-CA 3.41Å; K2163-L2272 HydrophobicContact CB-CB 4.19Å; K2163-L2272 HydrophobicContact CD-CB 3.81Å; K2163-L2272 HydrophobicContact CG-CB 4.31Å
2164L26.2Very low30.4Very low28 Ų2883 Ų8315%0.14743%0.425CS..  -134.2146.4-86-90.9150.2000116.3K2087 L2088 K2271 L2272 Q2273K2087-L2164 VanDerWaalsContact C-CD2 3.41Å; K2087-L2164 HydrophobicContact CB-CD2 4.23Å; K2087-L2164 HydrophobicContact CB-CG 4.32Å; K2087-L2164 VanDerWaalsContact CE-C 3.41Å; K2087-L2164 VanDerWaalsContact CE-N 3.3Å; K2087-L2164 HydrophobicContact CG-CB 4.46Å; K2087-L2164 HydrophobicContact CG-CG 4.19Å; L2088-L2164 HydrophobicContact CB-CD2 3.53Å; L2164-K2271 PolarHBondContact N-O 3.45Å; L2164-L2272 HydrophobicContact CB-CB 3.85Å; L2164-L2272 HydrophobicContact CB-CG 4.07Å; L2164-L2272 HydrophobicContact CD1-CB 3.83Å; L2164-L2272 HydrophobicContact CD1-CD1 3.54Å; L2164-L2272 HydrophobicContact CD1-CG 3.67Å; L2164-L2272 HydrophobicContact CG-CB 4.43Å; L2164-L2272 HydrophobicContact CG-CG 4.47Å; L2164-Q2273 CarbonylContact C-O 3.51Å; L2164-Q2273 WeakPolarHBondContact CB-O 3.31Å; L2164-Q2273 PolarHBondContact O-N 2.82Å
2165Q29Very low29.5Very low27 Ų2790.6 Ų90.613%0.12646%0.46CS..  trans-173.5171.6169.9-95.5-43.9-14.900119.7Q2273 Q2349 A2350Q2165-Q2273 WeakPolarHBondContact CA-O 3.28Å; Q2165-Q2273 PolarHBondContact N-O 3.17Å; Q2165-Q2273 VanDerWaalsContact NE2-CD 3.32Å; Q2165-Q2349 VanDerWaalsContact CG-C 3.45Å; Q2165-Q2349 WeakPolarHBondContact CG-O 3.41Å; Q2165-A2350 HydrophobicContact CB-CB 3.98Å; Q2165-A2350 VanDerWaalsContact CD-CB 3.49Å; Q2165-A2350 HydrophobicContact CG-CB 3.6Å
2166A27.3Very low28.9Very low5 Ų588.5 Ų88.54%0.04147%0.474CS..  trans-163.6146.4170.800000122.6Q2089 A2274 I2275Q2089-A2166 HydrophobicContact CB-CB 4.34Å; Q2089-A2166 HydrophobicContact CG-CB 3.16Å; A2166-A2274 HydrophobicContact CB-CB 3.87Å; A2166-I2275 VanDerWaalsContact CB-N 3.3Å; A2166-I2275 WeakPolarHBondContact CB-O 3.47Å
2167I41.9Very low28.2Very low75 Ų7592 Ų9239%0.38549%0.494SS..  trans-159.3160.9174.3-38.9175.5000115A2350 I2351 V2352I2167-A2350 HydrophobicContact CD1-CB 4.02Å; I2167-A2350 HydrophobicContact CG1-CB 4Å; I2167-I2351 VanDerWaalsContact CD1-O 3.3Å; I2167-I2351 WeakPolarHBondContact CD1-O 3.19Å; I2167-I2351 WeakPolarHBondContact CG1-O 3.42Å; I2167-V2352 VanDerWaalsContact CG2-N 3.29Å
2168V29.3Very low27.7Very low60 Ų6098 Ų9836%0.36452%0.519SS..  trans-147.9-141.5147-63.90000117.3I2091 Q2277 Q2353I2091-V2168 HydrophobicContact CD1-CG1 4.24Å; I2091-V2168 HydrophobicContact CD1-CG2 3.91Å; I2091-V2168 HydrophobicContact CG1-CG2 4.32Å; V2168-Q2277 WeakPolarHBondContact CG2-O 3.5Å; V2168-Q2353 CarbonylContact C-O 3.36Å; V2168-Q2353 WeakPolarHBondContact CG2-O 3.34Å; V2168-Q2353 VanDerWaalsContact O-CB 3.28Å; V2168-Q2353 WeakPolarHBondContact O-CB 3.36Å
2169V33.7Very low27.3Very low92 Ų9298.5 Ų98.556%0.55853%0.532SS*.  trans-139-150.6-148.8-59.70000121Q2353 P2354V2169-Q2353 CarbonylContact O-C 3.34Å; V2169-Q2353 WeakPolarHBondContact O-CB 3.42Å; V2169-P2354 CarbonylContact C-O 3.17Å; V2169-P2354 VanDerWaalsContact CA-O 3.29Å; V2169-P2354 WeakPolarHBondContact CA-O 3.45Å; V2169-P2354 WeakPolarHBondContact CG2-O 3.49Å; V2169-P2354 PolarHBondContact N-O 2.87Å; V2169-P2354 CarbonylContact O-C 3.37Å; V2169-P2354 VanDerWaalsContact O-CA 3.28Å; V2169-P2354 WeakPolarHBondContact O-CA 3.36Å; V2169-P2354 WeakPolarHBondContact O-CD 3.35Å; V2169-P2354 WeakPolarHBondContact O-CG 3.4Å
2170R32.4Very low26.8Very low190 Ų190101.6 Ų101.672%0.71754%0.544SS*.  trans-150172.3-177.1-131-165.4-92.6-162.6-3.9109.7P2354R2170-P2354 HydrophobicContact CG-CG 4.31Å
2171P28.5Very low26.3Very low101 Ų101108.9 Ų108.966%0.65657%0.573SS**  trans-114.5154.5-169.740.5-32.2000118.1P2355P2171-P2355 HydrophobicContact CB-CG 4.09Å; P2171-P2355 HydrophobicContact CG-CG 4.36Å
2172L26.6Very low26Very low174 Ų174116 Ų11691%0.91161%0.609SS**  trans-164.9177153.3-157.855.4000110.7
2173E24.4Very low25.6Very low165 Ų165116.4 Ų116.477%0.77163%0.628SS**  trans-116.3167.8-160.7-56.6176.7138.500116.9
2174N22.7Very low25.8Very low155 Ų155122.5 Ų122.583%0.82966%0.657SS**  trans72.5148.7162-70.8-38.2000120.4
2175M20.9Very low25.9Very low192 Ų192126.7 Ų126.795%0.94669%0.686SS**  trans-94.3139.8-164-60.4-175.2-69.400113.3
2176A19.3Very low25.8Very low103 Ų103131.7 Ų131.785%0.85172%0.718SS**  trans-137.2151.116600000110.4
2177T20.9Very low25.8Very low146 Ų146136.9 Ų136.990%0.89675%0.749SS**  trans-74.4130.9-176.348.50000112.8
2178Q20.4Very low25.2Very low161 Ų161139.2 Ų139.275%0.75276%0.76SS**  trans-148.3115.9156.2-164.4166.80.500112.3D2180Q2178-D2180 HydrophobicContact CG-CB 4.19Å; Q2178-D2180 PolarHBondContact NE2-OD2 3.19Å
2179T23.1Very low25.4Very low140 Ų140140.8 Ų140.886%0.85977%0.771SS**  trans-83.8127156.3-58.10000106.8
2180D21.8Very low25.1Very low122 Ų122143.8 Ų143.865%0.65278%0.781SS**  trans-154.5166.2168.2-122.3-46.4000115.5Q2178Q2178-D2180 HydrophobicContact CG-CB 4.19Å; Q2178-D2180 PolarHBondContact NE2-OD2 3.19Å
2181F18.4Very low24.7Very low185 Ų185139.5 Ų139.581%0.81178%0.776SS**  trans-82.9168.1-161-103.9-116.5000116.6A2183F2181-A2183 PolarHBondContact O-N 2.66Å; F2181-A2183 VanDerWaalsContact O-N 3.12Å
2182L24.9Very low24.6Very low170 Ų170141.5 Ų141.589%0.8978%0.776SS**  trans-46.2105.7167.9-61165.4000113.3
2183A19.7Very low24.5Very low90 Ų90138.5 Ų138.574%0.74477%0.766SS**  trans-145.4127.6162.600000111.5F2181 P2185F2181-A2183 PolarHBondContact O-N 2.66Å; F2181-A2183 VanDerWaalsContact O-N 3.12Å; A2183-P2185 WeakPolarHBondContact O-CD 2.94Å
2184Q29.5Very low24.6Very low192 Ų192134.7 Ų134.790%0.89775%0.754SS**  trans-76.4118.4-173.3-59.9163.58.200111.3
2185P28.5Very low24.5Very low116 Ų116135.7 Ų135.775%0.75375%0.753SS**  trans-75.3123.1170.529.5-31.5000110.1A2183A2183-P2185 WeakPolarHBondContact O-CD 2.94Å
2186V27.1Very low24.7Very low131 Ų131135.5 Ų135.579%0.79475%0.749SS**  67.3119.274.6171.30000110.8
2187V28.6Very low24.8Very low115 Ų115139.6 Ų139.670%0.69775%0.751SS**  cis-165.8171.3-1109.50000108.1
2188M28.8Very low24.7Very low123 Ų123136.9 Ų136.961%0.60674%0.736SS**  trans175.5120.5130.8-93.9-156.381.200114.7
2189P32.7Very low24.7Very low94 Ų94133.6 Ų133.661%0.6172%0.72SS**  trans-101.3-162.3-177.541.7-38.6000114.6
2190M28.2Very low24.9Very low155 Ų155130.5 Ų130.576%0.76470%0.701SS**  trans101.9111.3152.7-155.9175.7-176.600119.3
2191V23.8Very low25.2Very low99 Ų99128 Ų12860%0.669%0.686SS**  trans59.3121.4147.7176.90000118.1
2192Q26.3Very low25.8Very low143 Ų143124 Ų12467%0.66867%0.67SS**  cis79.46317.4-153.1-16711.900117.6
2193T23.9Very low25.7Very low112 Ų112116.1 Ų116.169%0.68763%0.629SS**  trans-136.5123.9140.552.30000106
2194T27.3Very low25.8Very low85 Ų85114.2 Ų114.252%0.52161%0.609SS.*  49.5123.970.669.70000111.7
2195H21.2Very low25.6Very low176 Ų176108.2 Ų108.282%0.81559%0.585SS**SBendcis-121.273.25.6-74.4-97.6000113
2196H23.4Very low25.6Very low187 Ų187102.8 Ų102.887%0.86655%0.55SS*.SBend-146.8155.2129.4-98.8-71.9000107.1
2197E21.7Very low26Very low190 Ų19096.8 Ų96.889%0.88851%0.513SS*.  trans-73.7157.6-155.3-79.3-165.7102.800116.3
2198P19.7Very low26.4Very low88 Ų8893.8 Ų93.857%0.57149%0.492SS*.  trans-89.1177.4-153.1-12.434.3000113.8
2199Q19.9Very low26.5Very low93 Ų9396.4 Ų96.444%0.43550%0.495SS..  cis-158.3-174.73.3-137.6147.4-6.900111.9H2345Q2199-H2345 VanDerWaalsContact C-CE1 3.5Å; Q2199-H2345 PolarHBondContact O-CE1 3.06Å; Q2199-H2345 PolarHBondContact O-NE2 3.14Å
2200T27Very low26.5Very low75 Ų7594.9 Ų94.946%0.4649%0.491SS..  trans2.6155152.838.50000121.7H2345T2200-H2345 VanDerWaalsContact C-CE1 3.43Å; T2200-H2345 PolarHBondContact O-CE1 3.13Å; T2200-H2345 VanDerWaalsContact O-CE1 3.32Å
2201Q27.7Very low27Very low70 Ų7096.4 Ų96.433%0.32749%0.488SS..  cis-167163.91.6162.7153.5-12.300111.8K2347Q2201-K2347 HydrophobicContact CB-CD 3.8Å; Q2201-K2347 HydrophobicContact CG-CD 3.48Å; Q2201-K2347 VanDerWaalsContact CG-CD 3.48Å; Q2201-K2347 VanDerWaalsContact NE2-NZ 3.2Å
2202E32.8Very low27.3Very low100 Ų10098.1 Ų98.147%0.46749%0.492SS..  trans23.3135.8167.7-73.1165.7-104.800123K2347E2202-K2347 HydrophobicContact CG-CB 4.09Å; E2202-K2347 HydrophobicContact CG-CD 4.38Å
2203T21.5Very low27.5Very low5 Ų598.4 Ų98.43%0.03149%0.491CS..  cis92.673.713-38.80000117.5K2087 K2162 K2163 K2347K2087-T2203 PolarHBondContact NZ-O 3.45Å; K2162-T2203 VanDerWaalsContact C-CG2 3.42Å; K2162-T2203 WeakPolarHBondContact O-CG2 3.4Å; K2163-T2203 HydrophobicContact CB-CG2 4.24Å; K2163-T2203 WeakPolarHBondContact O-CG2 3.44Å; T2203-K2347 PolarHBondContact OG1-N 2.77Å
2204P23.4Very low27.6Very low50 Ų5099 Ų9933%0.32549%0.49SS..  trans-87.7173.9-168.336.7-40.8000118.1H2085 K2087 P2161H2085-P2204 HydrophobicContact CB-CG 4.03Å; K2087-P2204 WeakPolarHBondContact CD-O 3.48Å; K2087-P2204 VanDerWaalsContact CG-O 3.3Å; K2087-P2204 WeakPolarHBondContact CG-O 3.12Å; P2161-P2204 WeakPolarHBondContact O-CD 3.47Å; P2161-P2204 VanDerWaalsContact O-CG 3.27Å; P2161-P2204 WeakPolarHBondContact O-CG 3.4Å
2205T24.7Very low27.4Very low66 Ų66104 Ų10441%0.40551%0.508SS..  trans-112.9101.9-162.1-48.90000118.2K2011 K2087K2011-T2205 PolarHBondContact NZ-O 2.91Å; K2087-T2205 HydrophobicContact CB-CG2 3.9Å; K2087-T2205 VanDerWaalsContact CD-CB 3.46Å; K2087-T2205 HydrophobicContact CD-CG2 3.69Å; K2087-T2205 WeakPolarHBondContact CD-OG1 3.38Å; K2087-T2205 HydrophobicContact CG-CG2 4.32Å; K2087-T2205 PolarHBondContact NZ-OG1 2.91Å
2206Q29Very low27.5Very low2 Ų2102.6 Ų102.61%0.00950%0.501CS..  trans-125.887.4147.3-21141.729.400116.2H2009 K2010 K2011 H2085 K2086 K2087 E2208H2009-Q2206 HydrophobicContact CB-CG 3.54Å; H2009-Q2206 PolarHBondContact CD2-NE2 2.86Å; H2009-Q2206 PolarHBondContact CE1-NE2 3.23Å; H2009-Q2206 VanDerWaalsContact CG-CD 3.46Å; H2009-Q2206 VanDerWaalsContact ND1-CG 3.32Å; H2009-Q2206 WeakPolarHBondContact ND1-CG 3.46Å; H2009-Q2206 PolarHBondContact ND1-NE2 3.46Å; H2009-Q2206 VanDerWaalsContact ND1-NE2 3.2Å; H2009-Q2206 PolarHBondContact NE2-NE2 2.98Å; K2010-Q2206 VanDerWaalsContact N-CD 3.28Å; K2010-Q2206 CarbonylContact O-C 2.99Å; K2010-Q2206 WeakPolarHBondContact O-CB 3.35Å; K2011-Q2206 HydrophobicContact CD-CB 4.1Å; K2011-Q2206 HydrophobicContact CG-CB 3.84Å; H2085-Q2206 VanDerWaalsContact N-NE2 3.17Å; H2085-Q2206 WeakPolarHBondContact O-CG 3.45Å; H2085-Q2206 PolarHBondContact O-NE2 3.33Å; K2086-Q2206 CarbonylContact C-O 3.18Å; K2086-Q2206 WeakPolarHBondContact CA-O 3.27Å; K2086-Q2206 HydrophobicContact CB-CB 4.4Å; K2086-Q2206 VanDerWaalsContact CB-O 3.31Å; K2086-Q2206 WeakPolarHBondContact CB-O 3.34Å; K2086-Q2206 HydrophobicContact CG-CB 4.06Å; K2086-Q2206 HydrophobicContact CG-CG 4.31Å; K2087-Q2206 PolarHBondContact N-O 3.36Å; K2087-Q2206 CarbonylContact O-C 3.5Å; Q2206-E2208 PolarHBondContact O-N 2.88Å
2207T34Very low27.3Very low5 Ų598.3 Ų98.33%0.03149%0.488CS..BIsolated β-bridgetrans-24.6110.5155.4-12.10000114.4K2010 K2011 L2012 K2087 Q2089K2010-T2207 CarbonylContact C-O 3.6Å; K2010-T2207 CarbonylContact O-C 3.44Å; K2011-T2207 CarbonylContact C-O 3.42Å; K2011-T2207 WeakPolarHBondContact CA-O 3.26Å; K2011-T2207 WeakPolarHBondContact CB-OG1 3.46Å; K2011-T2207 WeakPolarHBondContact CG-OG1 3.39Å; K2011-T2207 PolarHBondContact N-O 3.49Å; K2011-T2207 VanDerWaalsContact O-O 3.08Å; L2012-T2207 HydrophobicContact CB-CG2 3.87Å; L2012-T2207 VanDerWaalsContact N-CB 3.34Å; L2012-T2207 PolarHBondContact N-O 2.89Å; L2012-T2207 WeakPolarHBondContact O-CG2 3.41Å; K2087-T2207 VanDerWaalsContact C-N 3.34Å; K2087-T2207 CarbonylContact O-C 3.48Å; K2087-T2207 WeakPolarHBondContact O-CA 3.34Å; K2087-T2207 PolarHBondContact O-N 3.08Å; Q2089-T2207 HydrophobicContact CB-CG2 4.05Å
2208E37.1Very low27.2Very low52 Ų5296 Ų9624%0.24348%0.476CS..  trans-111.8127.1-173.5164.4157.9-132.200117L2012 K2086 K2087 Q2206L2012-E2208 WeakPolarHBondContact CD1-O 3.38Å; K2086-E2208 HydrophobicContact CD-CB 4.26Å; K2086-E2208 WeakPolarHBondContact CD-OE2 3.38Å; K2086-E2208 VanDerWaalsContact CE-OE2 3.29Å; K2086-E2208 WeakPolarHBondContact CE-OE2 3.41Å; K2086-E2208 IonicContact NZ-OE1 2.86Å; K2086-E2208 PolarHBondContact NZ-OE1 3.45Å; K2086-E2208 IonicContact NZ-OE2 3.15Å; K2086-E2208 PolarHBondContact NZ-OE2 3.37Å; K2087-E2208 PolarHBondContact O-N 2.87Å; Q2206-E2208 PolarHBondContact O-N 2.88Å
2209R32.1Very low27.3Very low177 Ų17796.4 Ų96.467%0.66848%0.477SS*.  trans54.3140.8157-77172.4170.6150-23.3118.3L2012L2012-R2209 WeakPolarHBondContact CD1-O 3.39Å
2210A31.4Very low27.4Very low63 Ų6396.1 Ų96.152%0.52149%0.485SS..  cis-154.2142.23500000114.5
2211R39Very low27.3Very low187 Ų18799.5 Ų99.571%0.70650%0.499SS*.  35.6124.6110.8-144.5-174-154.1175.52.7117.1L1936L1936-R2211 VanDerWaalsContact CD2-N 3.32Å
2212I29.9Very low27.1Very low134 Ų134104 Ų10469%0.68752%0.52SS*.  -165.4117.6103.4-96.8162.7000106.9
2213K30.7Very low26.7Very low149 Ų149106 Ų10665%0.64853%0.533SS*.  66.8125.1109.1-60.8-173.9175.1-171.90114.3
2214D25.6Very low26.7Very low126 Ų126114.1 Ų114.167%0.67457%0.568SS**  cis76.576.245.9-50-43.9000112.8
2215Q24.6Very low26.7Very low190 Ų190116.9 Ų116.989%0.88858%0.584SS**  -123.9141.2112.1-66-179.5-11.400105.5
2216Q22.4Very low26.7Very low145 Ų145120 Ų12068%0.67859%0.592SS**  cis80.472.625.7-59.6-164.3-69.300116.2
2217T19.1Very low26.4Very low97 Ų97127.1 Ų127.160%0.59563%0.63SS**  trans-97.9153.5134.6-26.50000108.9D1844D1844-T2217 WeakPolarHBondContact OD1-CB 3.34Å; D1844-T2217 VanDerWaalsContact OD1-CG2 3.27Å; D1844-T2217 WeakPolarHBondContact OD1-CG2 3.45Å; D1844-T2217 PolarHBondContact OD1-OG1 3.25Å
2218F20.5Very low26.1Very low142 Ų142132.1 Ų132.162%0.62366%0.66SS**  trans-105.1127.9178.9-81.9-115.5000111
2219T21.6Very low25.5Very low96 Ų96135.3 Ų135.359%0.58968%0.675SS**  trans-100.996.5155.3-62.30000107.9F1845 I2221F1845-T2219 HydrophobicContact CE1-CG2 4.16Å; F1845-T2219 HydrophobicContact CE2-CG2 4.15Å; F1845-T2219 HydrophobicContact CZ-CG2 3.61Å; T2219-I2221 PolarHBondContact O-N 2.99Å
2220S21.5Very low25.2Very low88 Ų88133.1 Ų133.162%0.61568%0.682SS**  trans-68.5116.4171.4-680000109.6E2222S2220-E2222 VanDerWaalsContact C-N 3.27Å; S2220-E2222 PolarHBondContact O-N 2.94Å; S2220-E2222 VanDerWaalsContact O-N 3.09Å
2221I23.8Very low24.8Very low145 Ų145134.6 Ų134.674%0.74468%0.678SS**  trans-80.981.7167.5-53.9175.7000106.9T2219 L2223T2219-I2221 PolarHBondContact O-N 2.99Å; I2221-L2223 VanDerWaalsContact C-N 3.26Å; I2221-L2223 HydrophobicContact CG2-CD2 4.39Å; I2221-L2223 HydrophobicContact CG2-CG 4.29Å; I2221-L2223 PolarHBondContact O-N 3.49Å
2222E24.8Very low24Very low166 Ų166134.7 Ų134.778%0.77668%0.684SS**  trans-72.289.4166.7-76.8-165.9162.600109.2S2220 K2224S2220-E2222 VanDerWaalsContact C-N 3.27Å; S2220-E2222 PolarHBondContact O-N 2.94Å; S2220-E2222 VanDerWaalsContact O-N 3.09Å; E2222-K2224 PolarHBondContact O-N 2.92Å; E2222-K2224 VanDerWaalsContact O-N 3.16Å
2223L23.1Very low23.8Very low142 Ų142132 Ų13274%0.74369%0.689SS**  trans-54.6115.6160.4-67.9167.3000107.6I2221 T2225I2221-L2223 VanDerWaalsContact C-N 3.26Å; I2221-L2223 HydrophobicContact CG2-CD2 4.39Å; I2221-L2223 HydrophobicContact CG2-CG 4.29Å; I2221-L2223 PolarHBondContact O-N 3.49Å; L2223-T2225 PolarHBondContact O-N 3.2Å
2224K23Very low23.4Very low175 Ų175129.2 Ų129.276%0.76169%0.689SS**  trans-76.281170.4-69.4-167.2175.4-173.10108.8E2222 F2226E2222-K2224 PolarHBondContact O-N 2.92Å; E2222-K2224 VanDerWaalsContact O-N 3.16Å; K2224-F2226 VanDerWaalsContact O-CD2 3.23Å; K2224-F2226 WeakPolarHBondContact O-CD2 3.46Å; K2224-F2226 PolarHBondContact O-N 3.22Å
2225T23.4Very low23.3Very low108 Ų108129.6 Ų129.666%0.66369%0.689SS**  trans-54.4125.4168.2-44.50000108.5L2223L2223-T2225 PolarHBondContact O-N 3.2Å
2226F24.3Very low23.6Very low132 Ų132123.4 Ų123.458%0.57966%0.662SS**  trans-99.497.7171.2-77.2-90.5000107.7K2224 V2228 F2302K2224-F2226 VanDerWaalsContact O-CD2 3.23Å; K2224-F2226 WeakPolarHBondContact O-CD2 3.46Å; K2224-F2226 PolarHBondContact O-N 3.22Å; F2226-V2228 HydrophobicContact CB-CG2 4.43Å; F2226-V2228 PolarHBondContact O-N 3.4Å; F2226-F2302 HydrophobicContact CE1-CD2 4.46Å; F2226-F2302 AromaticContact CE1-CE2 3.69Å; F2226-F2302 HydrophobicContact CE1-CE2 3.69Å; F2226-F2302 AromaticContact CE1-CZ 3.73Å; F2226-F2302 HydrophobicContact CE1-CZ 3.73Å; F2226-F2302 HydrophobicContact CZ-CE2 4.46Å; F2226-F2302 HydrophobicContact CZ-CZ 4.46Å
2227D22.9Very low23.9Very low151 Ų151121.6 Ų121.681%0.80765%0.652SS**  trans-7177.7167.4-75.7-44.5000109.4Q2229D2227-Q2229 PolarHBondContact O-N 3.22Å
2228V26.6Very low24.2Very low109 Ų109119.3 Ų119.366%0.66164%0.638SS**  trans-81.195.4163.1-176.90000106.5F2226 T2230F2226-V2228 HydrophobicContact CB-CG2 4.43Å; F2226-V2228 PolarHBondContact O-N 3.4Å; V2228-T2230 PolarHBondContact O-N 3.26Å; V2228-T2230 PolarHBondContact O-OG1 3.06Å
2229Q24.4Very low24.7Very low120 Ų120116.3 Ų116.356%0.56163%0.626SS**  trans-66.489.6-174.5-173.4173.53.500111.1D2227 Q2231D2227-Q2229 PolarHBondContact O-N 3.22Å; Q2229-Q2231 PolarHBondContact O-N 3.25Å
2230T26Very low25.1Very low131 Ų131114.4 Ų114.480%0.80462%0.62SS**  trans-6298.9-179.2-46.30000111V2228V2228-T2230 PolarHBondContact O-N 3.26Å; V2228-T2230 PolarHBondContact O-OG1 3.06Å
2231Q23.6Very low25.4Very low94 Ų94111.7 Ų111.744%0.43960%0.602SS.*  trans-71.2137.8-177.7-161.6169.52200111.2Q2229 G2233Q2229-Q2231 PolarHBondContact O-N 3.25Å; Q2231-G2233 PolarHBondContact O-N 3.39Å
2232F22.3Very low25.7Very low189 Ų189110.3 Ų110.383%0.82959%0.593SS**  trans-90.7101.9-162.9-148.9-99.3000111.4S2234F2232-S2234 PolarHBondContact O-N 3.04Å
2233G24.7Very low26Very low78 Ų78106.5 Ų106.580%0.80458%0.581SS**  trans-8887.2173.900000112Q2231Q2231-G2233 PolarHBondContact O-N 3.39Å
2234S23.6Very low26.5Very low90 Ų90102 Ų10263%0.62956%0.56SS**  trans-79.1122.7178.7560000112.1F2232 L2236F2232-S2234 PolarHBondContact O-N 3.04Å; S2234-L2236 PolarHBondContact O-N 3.35Å
2235I22.8Very low26.9Very low133 Ų13394.6 Ų94.668%0.68253%0.533SS*.  trans-70.2110.5170.9-65.5173.3000109I2129I2129-I2235 HydrophobicContact CD1-CG2 3.68Å
2236L31.3Very low27.2Very low60 Ų6092.9 Ų92.931%0.31452%0.518SS..  trans-82.3131168.7-178.271.1000109.1S2234 V2311 T2312 I2313S2234-L2236 PolarHBondContact O-N 3.35Å; L2236-V2311 HydrophobicContact CB-CG1 4.27Å; L2236-V2311 HydrophobicContact CD2-CG1 3.81Å; L2236-T2312 WeakPolarHBondContact CD2-O 3.32Å; L2236-I2313 HydrophobicContact CD1-CG1 4.07Å; L2236-I2313 HydrophobicContact CD1-CG2 4.45Å; L2236-I2313 HydrophobicContact CD2-CB 4.33Å; L2236-I2313 HydrophobicContact CD2-CG1 3.69Å
2237K27.8Very low27.3Very low107 Ų10790.4 Ų90.447%0.46551%0.508SS..  trans-117.1117.8172.7-172-168.5177.6-165.90109Q2239K2237-Q2239 HydrophobicContact CD-CG 3.93Å; K2237-Q2239 VanDerWaalsContact CE-CD 3.5Å; K2237-Q2239 HydrophobicContact CG-CG 4.16Å; K2237-Q2239 VanDerWaalsContact NZ-OE1 3.11Å
2238T27.2Very low27.9Very low49 Ų4990 Ų9030%0.30150%0.499SS..  trans-65.2132.9166-52.30000109.1S2131S2131-T2238 CarbonylContact O-C 3.52Å
2239Q30Very low27.9Very low80 Ų8088.9 Ų88.937%0.37449%0.492SS..  trans-147.6114.3163.6-66.7-164.9-97.900109.4T2133 K2237T2133-Q2239 VanDerWaalsContact CB-NE2 3.29Å; T2133-Q2239 PolarHBondContact OG1-NE2 3.5Å; K2237-Q2239 HydrophobicContact CD-CG 3.93Å; K2237-Q2239 VanDerWaalsContact CE-CD 3.5Å; K2237-Q2239 HydrophobicContact CG-CG 4.16Å; K2237-Q2239 VanDerWaalsContact NZ-OE1 3.11Å
2240A29.4Very low28.1Very low56 Ų5687.1 Ų87.146%0.46349%0.489SS..  trans-89.8105165.400000108.7
2241A29.1Very low28.5Very low30 Ų3082.8 Ų82.825%0.24846%0.463CS..  trans-117.9111-179.900000110.1
2242Q29.1Very low29Very low117 Ų11782.8 Ų82.855%0.54746%0.463SS..  trans-95.5103.3178.4-172.6-179.334.900108.8P2244 Q2318Q2242-P2244 VanDerWaalsContact O-CD 3.29Å; Q2242-P2244 WeakPolarHBondContact O-CD 3.26Å; Q2242-Q2318 HydrophobicContact CG-CB 4.46Å
2243T31.6Very low30Very low85 Ų8576.8 Ų76.852%0.52144%0.441SS..  trans-93.9111.2-173.1-46.30000111.5P2320T2243-P2320 WeakPolarHBondContact O-CD 3.36Å; T2243-P2320 WeakPolarHBondContact O-CG 3.5Å
2244P33.8Very low30.6Very low49 Ų4977.6 Ų77.632%0.31842%0.42SS..  trans-82.9169.3-179.534.5-36.8000113.6Q2137 Q2242Q2137-P2244 VanDerWaalsContact CA-CG 3.42Å; Q2137-P2244 HydrophobicContact CB-CB 4.12Å; Q2137-P2244 HydrophobicContact CB-CG 3.45Å; Q2137-P2244 VanDerWaalsContact CB-CG 3.45Å; Q2137-P2244 HydrophobicContact CG-CB 3.96Å; Q2137-P2244 HydrophobicContact CG-CG 3.69Å; Q2242-P2244 VanDerWaalsContact O-CD 3.29Å; Q2242-P2244 WeakPolarHBondContact O-CD 3.26Å
2245G30.8Very low31.3Very low18 Ų1876 Ų7619%0.18641%0.405CS..  trans-92.7163.5-167.900000116Q2137Q2137-G2245 PolarHBondContact NE2-O 3.32Å
2246E30Very low32Very low72 Ų7274.2 Ų74.234%0.33640%0.395SS..  trans-130.6153.7-178-81.7-159.9132.500114H2139 R2140 E2322H2139-E2246 VanDerWaalsContact CA-OE1 3.22Å; H2139-E2246 WeakPolarHBondContact CA-OE1 3.24Å; R2140-E2246 WeakPolarHBondContact CA-OE1 3.43Å; R2140-E2246 WeakPolarHBondContact CB-OE1 3.26Å; R2140-E2246 WeakPolarHBondContact CG-OE2 3.47Å; R2140-E2246 PolarHBondContact N-OE1 3.04Å; R2140-E2246 IonicContact NE-OE2 3.9Å; E2246-E2322 WeakPolarHBondContact O-CB 3.47Å
2247Q27.4Very low32.7Very low80 Ų8074.1 Ų74.137%0.37440%0.397SS..  trans-126.2153.6-171.1-151.6-18073.600111.6E2322Q2247-E2322 VanDerWaalsContact CB-OE2 3.23Å; Q2247-E2322 WeakPolarHBondContact CB-OE2 3.41Å; Q2247-E2322 WeakPolarHBondContact CG-OE1 3.44Å; Q2247-E2322 WeakPolarHBondContact CG-OE2 3.49Å; Q2247-E2322 PolarHBondContact NE2-OE1 3.31Å
2248K34.1Very low33.1Very low144 Ų14474 Ų7463%0.62640%0.399SS*.  trans75.9155.6168.1-60.2159.7-175.3151.80116.6R2140R2140-K2248 WeakPolarHBondContact CD-O 3.29Å
2249T27Very low33.5Very low84 Ų8477.1 Ų77.152%0.51541%0.41SS..  cis-160.8176.8-19.9-87.20000109.3
2250V28.8Very low33.8Very low83 Ų8376.8 Ų76.850%0.50341%0.408SS..  trans-54.1150.7-169.3173.10000118P2325 I2326V2250-P2325 HydrophobicContact CB-CB 4.31Å; V2250-P2325 HydrophobicContact CG2-CB 3.68Å; V2250-I2326 WeakPolarHBondContact CG1-O 3.47Å
2251V33.3Very low33.8Very low40 Ų4078.4 Ų78.424%0.24241%0.406CS..  trans-143.7158.3172.2178.10000110.2V2142 V2143 A2144V2142-V2251 HydrophobicContact CG1-CG2 3.95Å; V2143-V2251 WeakPolarHBondContact O-CG1 3.46Å; V2143-V2251 WeakPolarHBondContact O-CG2 3.27Å; A2144-V2251 HydrophobicContact CB-CG1 4.05Å
2252E34Very low33.7Very low95 Ų9583.6 Ų83.644%0.44442%0.423SS..  trans-124.7147.1-176.6-167.6-163.8157.900112.1R2254E2252-R2254 IonicContact OE1-CZ 2.94Å; E2252-R2254 IonicContact OE1-NE 2.71Å; E2252-R2254 PolarHBondContact OE1-NE 3.36Å; E2252-R2254 IonicContact OE1-NH2 3.7Å; E2252-R2254 PolarHBondContact OE1-NH2 3.06Å; E2252-R2254 IonicContact OE2-NH2 2.63Å
2253V43.6Very low33.5Very low62 Ų6281.1 Ų81.138%0.37642%0.419SS..  trans-147.8152.3-175.5-167.30000111.8
2254R38.9Very low33.4Very low95 Ų9578.5 Ų78.536%0.35840%0.403SS..  trans-144.1154.1-174.8-51.9-172.5-178.1179.32.7115.8K2146 E2252K2146-R2254 VanDerWaalsContact O-O 3.07Å; E2252-R2254 IonicContact OE1-CZ 2.94Å; E2252-R2254 IonicContact OE1-NE 2.71Å; E2252-R2254 PolarHBondContact OE1-NE 3.36Å; E2252-R2254 IonicContact OE1-NH2 3.7Å; E2252-R2254 PolarHBondContact OE1-NH2 3.06Å; E2252-R2254 IonicContact OE2-NH2 2.63Å
2255D37.5Very low33.1Very low57 Ų5783 Ų8331%0.30542%0.42SS..  trans55.6121.8158.6-63-75.4000123K2330D2255-K2330 PolarHBondContact N-O 3.05Å
2256M36.9Very low32.8Very low96 Ų9684.1 Ų84.147%0.47342%0.424SS..EExtended strand (participates in β ladder)trans-152.3151.6179.4-72.3-179.2-8100116.6L2332M2256-L2332 HydrophobicContact CB-CD1 3.68Å
2257T45.4Very low32.7Very low58 Ų5885.6 Ų85.636%0.35643%0.433SS..EExtended strand (participates in β ladder)trans-153.6159.1-171.251.40000119.4V2150V2150-T2257 PolarHBondContact N-O 2.77Å
2258M38Very low32.7Very low105 Ų10585.2 Ų85.252%0.51744%0.436SS..  trans-159.8156.7177.3-73.2-169.6-7400118.9V2150 I2333 T2334V2150-M2258 HydrophobicContact CB-CG 4.21Å; V2150-M2258 WeakPolarHBondContact O-CA 3.31Å; M2258-I2333 PolarHBondContact N-O 2.94Å; M2258-T2334 HydrophobicContact CB-CG2 4.27Å; M2258-T2334 WeakPolarHBondContact O-CA 3.44Å
2259Q34.1Very low32.3Very low113 Ų11382.1 Ų82.153%0.52842%0.424SS..  trans-157167176.9-63-169.8-400118.9H2152H2152-Q2259 WeakPolarHBondContact CB-O 3.47Å
2260H37.4Very low32.3Very low73 Ų7383.2 Ų83.234%0.33842%0.421SS..  trans-168.2159.2-179-157.6-66.8000119.4H2152 Q2335 H2336H2152-H2260 AromaticContact CD2-CD2 3.93Å; H2260-Q2335 PolarHBondContact N-O 3.1Å; H2260-H2336 AromaticContact CG-CD2 3.98Å; H2260-H2336 AromaticContact ND1-CD2 3.44Å; H2260-H2336 PolarHBondContact ND1-CD2 2.6Å; H2260-H2336 AromaticContact ND1-NE2 3.61Å; H2260-H2336 VanDerWaalsContact O-CA 3.23Å; H2260-H2336 WeakPolarHBondContact O-CA 3.34Å; H2260-H2336 WeakPolarHBondContact O-CB 3.13Å; H2260-H2336 PolarHBondContact O-CD2 3.07Å
2261H28Very low32.1Very low90 Ų9085 Ų8542%0.41742%0.423SS..  trans-158.50176.5-10262.9000120.5H2336 E2337H2261-H2336 VanDerWaalsContact CE1-C 3.45Å; H2261-E2337 PolarHBondContact CE1-N 3.28Å; H2261-E2337 PolarHBondContact ND1-N 3.24Å; H2261-E2337 VanDerWaalsContact ND1-N 3.15Å; H2261-E2337 WeakPolarHBondContact NE2-CB 3.44Å; H2261-E2337 PolarHBondContact NE2-N 3.4Å
2262K27.8Very low31.7Very low139 Ų13987.5 Ų87.560%0.60443%0.434SS*.  000-135.9165-173.4170.30123.5E2337 K2338K2262-E2337 PolarHBondContact N-O 2.88Å; K2262-K2338 CarbonylContact O-C 3.55Å; K2262-K2338 VanDerWaalsContact O-CA 3.3Å; K2262-K2338 WeakPolarHBondContact O-CA 3.39Å
2263S25.5Very low31.4Very low65 Ų6586.5 Ų86.546%0.45543%0.429SS..  000-79.20000122.7P2156P2156-S2263 VanDerWaalsContact CB-CB 3.49Å
2264P30Very low30.7Very low31 Ų3186.4 Ų86.420%0.20144%0.435CS..  00050.8-47.5000126.4P2156 V2157 R2339 E2341P2156-P2264 HydrophobicContact CB-CG 4.25Å; P2156-P2264 VanDerWaalsContact CB-N 3.31Å; V2157-P2264 PolarHBondContact N-O 2.93Å; V2157-P2264 VanDerWaalsContact N-O 3.13Å; P2264-R2339 VanDerWaalsContact CB-O 3.23Å; P2264-R2339 WeakPolarHBondContact CB-O 3.44Å; P2264-R2339 WeakPolarHBondContact CD-O 3.29Å; P2264-R2339 WeakPolarHBondContact CG-O 3.42Å; P2264-E2341 HydrophobicContact CB-CG 4.49Å
2265E25.5Very low30.3Very low142 Ų14285.3 Ų85.366%0.66444%0.435SS*.  000-50.8-176.7169.300124.8
2266P24.8Very low30.1Very low42 Ų4284 Ų8427%0.27343%0.429SS..  0-150.9047.4-30.3000125Q2158 P2342Q2158-P2266 HydrophobicContact CB-CG 4.17Å; Q2158-P2266 HydrophobicContact CG-CG 4.48Å; P2266-P2342 HydrophobicContact CB-CG 4.22Å; P2266-P2342 WeakPolarHBondContact CB-O 3.4Å; P2266-P2342 HydrophobicContact CG-CG 3.94Å
2267I28.4Very low29.6Very low103 Ų10381.2 Ų81.253%0.52842%0.415SS..  trans-119.3-160.4-151.3-1183.5000124.4S2159 V2160 P2342 V2344S2159-I2267 WeakPolarHBondContact CB-O 3.43Å; S2159-I2267 PolarHBondContact OG-O 3.32Å; V2160-I2267 WeakPolarHBondContact CB-O 3.08Å; V2160-I2267 WeakPolarHBondContact CG2-O 3.33Å; I2267-P2342 WeakPolarHBondContact CD1-O 3.42Å; I2267-V2344 HydrophobicContact CB-CG1 4.4Å
2268V28Very low28.8Very low73 Ų7379.2 Ų79.244%0.44240%0.403SS..  trans-138.1152.3-153-1700000123.4V2160V2160-V2268 HydrophobicContact CG2-CB 4.2Å; V2160-V2268 HydrophobicContact CG2-CG1 4.16Å; V2160-V2268 HydrophobicContact CG2-CG2 4.12Å
2269H24.3Very low28.7Very low78 Ų7874.5 Ų74.536%0.36138%0.381SS..  trans-155.6-175.3156.6-114.783.6000123.3P2161 K2162 V2344 H2345P2161-H2269 WeakPolarHBondContact CB-O 3.42Å; K2162-H2269 PolarHBondContact N-O 3.11Å; K2162-H2269 VanDerWaalsContact N-O 3.09Å; H2269-V2344 HydrophobicContact CB-CG2 4.42Å; H2269-H2345 WeakPolarHBondContact CB-O 3.22Å
2270K27.3Very low28.5Very low107 Ų10770.5 Ų70.547%0.46536%0.364SS..BIsolated β-bridgetrans-174.1114.7-146.546.9179.1151.361.90127.3K2162 K2163K2162-K2270 VanDerWaalsContact O-CA 3.3Å; K2162-K2270 WeakPolarHBondContact O-CA 3.26Å; K2163-K2270 HydrophobicContact CD-CB 3.99Å; K2163-K2270 PolarHBondContact NZ-O 3.24Å
2271K25.2Very low28.2Very low122 Ų12269.6 Ų69.653%0.5336%0.361SS..  trans-148.1160.3162-152.9168.3177.5-169.80121K2163 L2164 L2348K2163-K2271 CarbonylContact C-O 3.55Å; K2163-K2271 WeakPolarHBondContact CB-O 3.42Å; K2163-K2271 VanDerWaalsContact CD-CA 3.41Å; L2164-K2271 PolarHBondContact N-O 3.45Å; K2271-L2348 HydrophobicContact CB-CG 4.29Å; K2271-L2348 HydrophobicContact CD-CD1 4.2Å; K2271-L2348 HydrophobicContact CD-CD2 3.77Å; K2271-L2348 HydrophobicContact CD-CG 4.12Å; K2271-L2348 HydrophobicContact CG-CD2 3.89Å; K2271-L2348 HydrophobicContact CG-CG 4.07Å
2272L26Very low29Very low91 Ų9167.3 Ų67.348%0.47635%0.352SS..  trans-142.5161-142.6146.7173.6000123.2K2163 L2164K2163-L2272 HydrophobicContact CB-CB 4.19Å; K2163-L2272 HydrophobicContact CD-CB 3.81Å; K2163-L2272 HydrophobicContact CG-CB 4.31Å; L2164-L2272 HydrophobicContact CB-CB 3.85Å; L2164-L2272 HydrophobicContact CB-CG 4.07Å; L2164-L2272 HydrophobicContact CD1-CB 3.83Å; L2164-L2272 HydrophobicContact CD1-CD1 3.54Å; L2164-L2272 HydrophobicContact CD1-CG 3.67Å; L2164-L2272 HydrophobicContact CG-CB 4.43Å; L2164-L2272 HydrophobicContact CG-CG 4.47Å
2273Q26.2Very low29.1Very low75 Ų7562.3 Ų62.335%0.3533%0.333SS..  trans176.3-179.7163-97161.4-72.700116.5L2164 Q2165L2164-Q2273 CarbonylContact C-O 3.51Å; L2164-Q2273 WeakPolarHBondContact CB-O 3.31Å; L2164-Q2273 PolarHBondContact O-N 2.82Å; Q2165-Q2273 WeakPolarHBondContact CA-O 3.28Å; Q2165-Q2273 PolarHBondContact N-O 3.17Å; Q2165-Q2273 VanDerWaalsContact NE2-CD 3.32Å
2274A28.4Very low30.1Very low59 Ų5960.4 Ų60.449%0.48832%0.317SS..  trans174.8157.3165.700000121.4A2166A2166-A2274 HydrophobicContact CB-CB 3.87Å
2275I32.1Very low30.6Very low72 Ų7261.8 Ų61.837%0.36933%0.325SS..  trans-160-156171.6-155.9163.4000121.6A2090 A2166 I2351 V2352A2090-I2275 CarbonylContact O-C 3.59Å; A2166-I2275 VanDerWaalsContact CB-N 3.3Å; A2166-I2275 WeakPolarHBondContact CB-O 3.47Å; I2275-I2351 HydrophobicContact CG2-CB 4.32Å; I2275-I2351 HydrophobicContact CG2-CG1 3.61Å; I2275-V2352 HydrophobicContact CB-CG2 4.25Å; I2275-V2352 HydrophobicContact CD1-CG2 3.98Å; I2275-V2352 HydrophobicContact CG1-CG2 4.08Å; I2275-V2352 HydrophobicContact CG2-CB 4.44Å; I2275-V2352 HydrophobicContact CG2-CG2 3.27Å
2276V33.4Very low31.7Very low29 Ų2955.4 Ų55.418%0.17630%0.295CS..  trans-120.30-137.684.30000121.3A2090 I2091 V2092 V2352 Q2353A2090-V2276 WeakPolarHBondContact O-CA 3.15Å; A2090-V2276 PolarHBondContact O-N 3.24Å; I2091-V2276 VanDerWaalsContact CA-CG2 3.42Å; V2092-V2276 HydrophobicContact CG2-CG2 3.98Å; V2276-V2352 HydrophobicContact CG1-CG1 4.08Å; V2276-Q2353 PolarHBondContact O-N 2.91Å
2277Q26.3Very low32.9Very low39 Ų3955.1 Ų55.118%0.18229%0.292CS..  000-57.9-73.376.700118.1I2091 V2092 Q2093 V2168 Q2353 P2354I2091-Q2277 WeakPolarHBondContact CG1-O 3.28Å; I2091-Q2277 WeakPolarHBondContact CG2-O 3.43Å; V2092-Q2277 VanDerWaalsContact N-CA 3.31Å; V2092-Q2277 WeakPolarHBondContact O-CA 3.18Å; V2092-Q2277 WeakPolarHBondContact O-CB 3.22Å; V2092-Q2277 PolarHBondContact O-NE2 2.66Å; V2092-Q2277 VanDerWaalsContact O-NE2 3.08Å; V2092-Q2277 PolarHBondContact O-OE1 3.43Å; Q2093-Q2277 VanDerWaalsContact OE1-NE2 3.16Å; V2168-Q2277 WeakPolarHBondContact CG2-O 3.5Å; Q2277-Q2353 PolarHBondContact N-O 3.47Å; Q2277-P2354 HydrophobicContact CB-CB 4.13Å
2278P27.4Very low33.7Very low15 Ų1552.6 Ų52.610%0.09728%0.279CS..  00025.310.5000123.8I2091 V2092 Q2093 P2354 P2355I2091-P2278 VanDerWaalsContact CG2-N 3.32Å; V2092-P2278 VanDerWaalsContact O-CA 3.24Å; V2092-P2278 WeakPolarHBondContact O-CA 3.16Å; V2092-P2278 WeakPolarHBondContact O-CB 3.37Å; Q2093-P2278 HydrophobicContact CB-CB 3.96Å; Q2093-P2278 VanDerWaalsContact N-CA 3.34Å; P2278-P2354 HydrophobicContact CB-CB 4.5Å; P2278-P2354 HydrophobicContact CG-CB 3.19Å; P2278-P2355 VanDerWaalsContact CD-CA 3.41Å; P2278-P2355 VanDerWaalsContact CG-CA 3.44Å; P2278-P2355 HydrophobicContact CG-CB 4.1Å
2279P36Very low34.8Very low7 Ų751.8 Ų51.85%0.04527%0.274CS..  0-158050.3-27.8000121.3Q2017 P2018 T2356Q2017-P2279 HydrophobicContact CG-CB 4.24Å; P2018-P2279 HydrophobicContact CG-CB 4.38Å; P2279-T2356 CarbonylContact O-C 3.4Å; P2279-T2356 WeakPolarHBondContact O-CB 3.35Å
2280T30Very low35.5Very low29 Ų2949.3 Ų49.318%0.17826%0.263CS..  trans-154.9-172.3166.581.40000117.4Q2017Q2017-T2280 PolarHBondContact NE2-OG1 2.99Å
2281I32Very low36.4Very low54 Ų5444.4 Ų44.428%0.27724%0.242SC..  trans-138.8-179.9-173.8-79.4-178.8000113.1P2095 T2096 I2357 N2358P2095-I2281 WeakPolarHBondContact O-CD1 3.37Å; P2095-I2281 WeakPolarHBondContact O-CG1 3.25Å; T2096-I2281 HydrophobicContact CG2-CB 4.01Å; T2096-I2281 HydrophobicContact CG2-CG1 4.07Å; T2096-I2281 HydrophobicContact CG2-CG2 4.04Å; I2281-I2357 HydrophobicContact CB-CG2 4.2Å; I2281-I2357 HydrophobicContact CD1-CD1 4.45Å; I2281-I2357 HydrophobicContact CD1-CG1 4.17Å; I2281-I2357 HydrophobicContact CG2-CG2 4.45Å; I2281-N2358 CarbonylContact C-O 3.07Å; I2281-N2358 CarbonylContact O-C 3.4Å; I2281-N2358 VanDerWaalsContact O-C 3.24Å; I2281-N2358 WeakPolarHBondContact O-CA 3.08Å; I2281-N2358 VanDerWaalsContact O-CB 3.26Å; I2281-N2358 WeakPolarHBondContact O-CB 3.41Å
2282N44.3Very low37.6Very low42 Ų4240.9 Ų40.923%0.22523%0.232CC..  trans-158.4179.6177.6-125.278.1000122.1T2020 N2358 E2360T2020-N2282 HydrophobicContact CG2-CB 4.14Å; N2282-N2358 WeakPolarHBondContact CA-O 3.46Å; N2282-N2358 PolarHBondContact N-O 3.32Å; N2282-N2358 PolarHBondContact OD1-ND2 3.41Å; N2282-E2360 VanDerWaalsContact CG-OE1 3.31Å; N2282-E2360 PolarHBondContact ND2-OE1 2.65Å; N2282-E2360 PolarHBondContact OD1-OE1 2.87Å
2283T30Very low38.1Very low34 Ų3437.6 Ų37.621%0.20922%0.216CC..  trans-160.5166.2173.8-37.60000116.3N2098 T2359 E2360N2098-T2283 VanDerWaalsContact OD1-C 3.23Å; N2098-T2283 WeakPolarHBondContact OD1-CA 3.42Å; N2098-T2283 PolarHBondContact OD1-N 3.08Å; T2283-T2359 VanDerWaalsContact OG1-CG2 3.31Å; T2283-T2359 WeakPolarHBondContact OG1-CG2 3.13Å; T2283-T2359 PolarHBondContact OG1-OG1 2.7Å; T2283-E2360 CarbonylContact C-O 3.56Å; T2283-E2360 CarbonylContact O-C 3.52Å; T2283-E2360 VanDerWaalsContact O-C 3.27Å; T2283-E2360 WeakPolarHBondContact O-CA 3.21Å; T2283-E2360 PolarHBondContact O-N 3.46Å; T2283-E2360 VanDerWaalsContact O-O 3.04Å
2284E46.1Very low38.5Very low25 Ų2536.8 Ų36.812%0.11722%0.217CC..  trans-158.3176.1170.9-106.1-61.7156.600116.7T2099 E2360 T2361 Q2362T2099-E2284 CarbonylContact C-O 3.53Å; T2099-E2284 WeakPolarHBondContact CB-O 3.31Å; T2099-E2284 CarbonylContact O-C 2.66Å; T2099-E2284 VanDerWaalsContact O-C 3.29Å; E2284-E2360 WeakPolarHBondContact CA-O 3.49Å; E2284-E2360 PolarHBondContact N-O 3.44Å; E2284-T2361 VanDerWaalsContact CD-C 3.47Å; E2284-T2361 VanDerWaalsContact OE1-CA 3.26Å; E2284-T2361 WeakPolarHBondContact OE1-CA 3.45Å; E2284-T2361 PolarHBondContact OE1-N 3.48Å; E2284-T2361 WeakPolarHBondContact OE2-CA 3.44Å; E2284-Q2362 PolarHBondContact OE2-N 3.39Å
2285T40.7Very low39Very low59 Ų5936.9 Ų36.936%0.36221%0.212SC..  trans-178.5146.5173.1-77.50000117.8Q2362T2285-Q2362 CarbonylContact C-O 3.54Å; T2285-Q2362 CarbonylContact O-C 3.28Å; T2285-Q2362 WeakPolarHBondContact O-CA 3.38Å; T2285-Q2362 PolarHBondContact O-N 2.84Å
2286Q49Very low39.3Very low8 Ų839.4 Ų39.44%0.03723%0.225CC..  trans-141.8167.7-161.5155.6-172.6-162.900122.5M1839 E2100 T2101 Q2102 Q2362M1839-Q2286 HydrophobicContact CE-CB 3.84Å; M1839-Q2286 HydrophobicContact CE-CG 3.55Å; E2100-Q2286 PolarHBondContact OE2-NE2 3.26Å; T2101-Q2286 CarbonylContact C-O 3.6Å; T2101-Q2286 CarbonylContact O-C 3.59Å; T2101-Q2286 WeakPolarHBondContact O-CA 3.45Å; T2101-Q2286 WeakPolarHBondContact O-CB 3.49Å; T2101-Q2286 WeakPolarHBondContact O-CG 3.5Å; Q2102-Q2286 HydrophobicContact CB-CG 4.31Å; Q2102-Q2286 HydrophobicContact CG-CG 4.09Å; Q2102-Q2286 PolarHBondContact N-O 3.11Å; Q2286-Q2362 WeakPolarHBondContact CA-O 3.18Å; Q2286-Q2362 WeakPolarHBondContact CB-O 3.41Å
2287T50.2Low39.4Very low36 Ų3643.1 Ų43.122%0.22124%0.243CC..  trans-166.1170.9176.2-89.30000112.1T2103 V2289 T2363 M2364T2103-T2287 WeakPolarHBondContact CB-OG1 3.48Å; T2103-T2287 HydrophobicContact CG2-CG2 3.93Å; T2103-T2287 PolarHBondContact OG1-OG1 3.24Å; T2287-V2289 HydrophobicContact CG2-CG2 4.5Å; T2287-T2363 WeakPolarHBondContact CB-OG1 3.23Å; T2287-T2363 HydrophobicContact CG2-CG2 3.73Å; T2287-M2364 PolarHBondContact O-N 2.79Å
2288M45.2Very low40Very low50 Ų5043.5 Ų43.525%0.24625%0.249CC..BIsolated β-bridgetrans-131.7142.7171.8-177.3-167.6149.500115.3T2103 M2104 V2105 M2364T2103-M2288 WeakPolarHBondContact O-CA 3.23Å; T2103-M2288 WeakPolarHBondContact O-CB 3.46Å; T2103-M2288 PolarHBondContact O-N 2.9Å; M2104-M2288 CarbonylContact C-O 3.56Å; M2104-M2288 WeakPolarHBondContact CA-O 3.36Å; M2104-M2288 HydrophobicContact CB-CB 4.48Å; M2104-M2288 HydrophobicContact CG-CE 4.34Å; M2104-M2288 HydrophobicContact CG-SD 4.31Å; M2104-M2288 PolarHBondContact N-O 3.4Å; V2105-M2288 PolarHBondContact N-O 2.91Å; V2105-M2288 VanDerWaalsContact N-O 3.14Å; M2288-M2364 CarbonylContact C-O 3.45Å; M2288-M2364 VanDerWaalsContact CA-O 3.25Å; M2288-M2364 WeakPolarHBondContact CA-O 2.9Å; M2288-M2364 HydrophobicContact CB-CB 4.26Å; M2288-M2364 HydrophobicContact CG-CB 4.3Å
2289V51.5Low40.3Very low56 Ų5646 Ų4634%0.33927%0.265SS..  trans-147.8106.4175.9-175.80000112.5V2105 T2287 G2291 M2364 V2365V2105-V2289 HydrophobicContact CB-CB 4.14Å; V2105-V2289 HydrophobicContact CB-CG1 3.83Å; V2105-V2289 HydrophobicContact CB-CG2 4.25Å; V2105-V2289 HydrophobicContact CG1-CG1 4.14Å; V2105-V2289 HydrophobicContact CG2-CB 4.22Å; V2105-V2289 HydrophobicContact CG2-CG1 4.12Å; V2105-V2289 HydrophobicContact CG2-CG2 3.76Å; T2287-V2289 HydrophobicContact CG2-CG2 4.5Å; V2289-G2291 PolarHBondContact O-N 3.27Å; V2289-M2364 PolarHBondContact N-O 2.88Å; V2289-V2365 HydrophobicContact CB-CG2 4.29Å; V2289-V2365 VanDerWaalsContact O-CA 3.23Å; V2289-V2365 WeakPolarHBondContact O-CA 2.84Å; V2289-V2365 WeakPolarHBondContact O-CB 3.04Å; V2289-V2365 WeakPolarHBondContact O-CG1 3.49Å; V2289-V2365 WeakPolarHBondContact O-CG2 3.5Å
2290E39.1Very low40.4Very low26 Ų2649.9 Ų49.912%0.12128%0.281CS..PPolyproline II helixtrans-63.6117.8-179.4-156-155.7151.500111.2R2031 V2105 E2106 R2107 E2366R2031-E2290 IonicContact CZ-OE1 2.81Å; R2031-E2290 IonicContact CZ-OE2 3.1Å; R2031-E2290 IonicContact NH1-OE1 2.75Å; R2031-E2290 IonicContact NH2-OE1 2.74Å; R2031-E2290 PolarHBondContact NH2-OE1 3.02Å; R2031-E2290 VanDerWaalsContact NH2-OE1 3.14Å; R2031-E2290 IonicContact NH2-OE2 2.6Å; R2031-E2290 PolarHBondContact NH2-OE2 3.13Å; V2105-E2290 VanDerWaalsContact O-CB 3.23Å; V2105-E2290 WeakPolarHBondContact O-CB 3.43Å; V2105-E2290 PolarHBondContact O-N 2.98Å; E2106-E2290 WeakPolarHBondContact CA-OE2 3.24Å; E2106-E2290 VanDerWaalsContact CG-OE2 3.29Å; E2106-E2290 WeakPolarHBondContact CG-OE2 3.2Å; R2107-E2290 WeakPolarHBondContact CA-O 3.3Å; R2107-E2290 HydrophobicContact CB-CB 3.81Å; R2107-E2290 HydrophobicContact CB-CG 3.51Å; R2107-E2290 WeakPolarHBondContact CB-OE1 3.25Å; R2107-E2290 VanDerWaalsContact CB-OE2 3.32Å; R2107-E2290 WeakPolarHBondContact CB-OE2 3.5Å; R2107-E2290 WeakPolarHBondContact CD-OE1 3.48Å; R2107-E2290 IonicContact CZ-OE1 2.76Å; R2107-E2290 PolarHBondContact N-OE2 3.46Å; R2107-E2290 IonicContact NE-OE1 3.39Å; R2107-E2290 PolarHBondContact NE-OE1 3.33Å; R2107-E2290 IonicContact NH1-OE1 3.19Å; R2107-E2290 PolarHBondContact NH1-OE1 3Å; E2290-E2366 HydrophobicContact CG-CB 4.15Å
2291G45.2Very low40.8Very low4 Ų451.6 Ų51.64%0.04129%0.292CS..PPolyproline II helixtrans-98.9149.4-166.500000115.1R2107 V2289 E2366R2107-G2291 PolarHBondContact NE-O 3.45Å; V2289-G2291 PolarHBondContact O-N 3.27Å; G2291-E2366 WeakPolarHBondContact CA-O 3.19Å; G2291-E2366 PolarHBondContact N-O 3.16Å
2292P49.7Very low40.9Very low48 Ų4852.3 Ų52.331%0.31229%0.293SS..PPolyproline II helixtrans-61141.8-167.512.6-24.4000115.8P2108 R2367P2108-P2292 HydrophobicContact CB-CB 4.45Å; P2108-P2292 WeakPolarHBondContact O-CA 3.25Å; P2108-P2292 WeakPolarHBondContact O-CB 3.31Å; P2292-R2367 VanDerWaalsContact O-CD 3.29Å; P2292-R2367 WeakPolarHBondContact O-CD 3.17Å; P2292-R2367 VanDerWaalsContact O-CG 3.28Å; P2292-R2367 WeakPolarHBondContact O-CG 3.03Å; P2292-R2367 VanDerWaalsContact O-CZ 3.29Å; P2292-R2367 PolarHBondContact O-NE 3.38Å; P2292-R2367 PolarHBondContact O-NH1 3.27Å
2293P37Very low40.3Very low22 Ų2255.3 Ų55.314%0.14331%0.309CS..  trans-73.7177.6-171.830.5-32.1000113.2P2108 P2110 V2295 P2368P2108-P2293 WeakPolarHBondContact O-CD 3.15Å; P2110-P2293 HydrophobicContact CB-CG 3.88Å; P2110-P2293 HydrophobicContact CG-CG 4.01Å; P2293-V2295 PolarHBondContact O-N 3.48Å; P2293-P2368 HydrophobicContact CB-CG 3.98Å
2294P34.4Very low40.6Very low58 Ų5857.2 Ų57.238%0.37732%0.32SS..  trans-72.3132.4-162.1-16.232.8000112.2I2296 P2368P2294-I2296 PolarHBondContact O-N 3.18Å; P2294-P2368 HydrophobicContact CG-CB 4.48Å; P2294-P2368 HydrophobicContact CG-CG 3.89Å
2295V39.4Very low40Very low61 Ų6162.2 Ų62.237%0.3734%0.344SS..  trans-80.1104.1165.9179.70000107.7V2111 L2113 P2293 L2297V2111-V2295 WeakPolarHBondContact O-CG1 3.26Å; V2111-V2295 WeakPolarHBondContact O-CG2 3.3Å; L2113-V2295 HydrophobicContact CB-CG1 3.86Å; L2113-V2295 HydrophobicContact CD1-CG1 3.89Å; L2113-V2295 HydrophobicContact CG-CG1 3.83Å; P2293-V2295 PolarHBondContact O-N 3.48Å; V2295-L2297 HydrophobicContact CG1-CD2 4.22Å; V2295-L2297 HydrophobicContact CG1-CG 4.34Å; V2295-L2297 PolarHBondContact O-N 2.92Å; V2295-L2297 VanDerWaalsContact O-N 3.12Å
2296I38Very low39.8Very low126 Ų12661.6 Ų61.665%0.64634%0.34SS*.  trans-64.2113.7171-59.6175.4000107.3P2294 P2298P2294-I2296 PolarHBondContact O-N 3.18Å; I2296-P2298 WeakPolarHBondContact O-CD 3.4Å
2297L36Very low38.8Very low107 Ų10766.8 Ų66.856%0.5636%0.364SS*.  trans-98.492.2174-73.8173.3000109L2113 V2295 L2373L2113-L2297 HydrophobicContact CB-CD2 4.04Å; L2113-L2297 HydrophobicContact CD1-CD2 4.11Å; V2295-L2297 HydrophobicContact CG1-CD2 4.22Å; V2295-L2297 HydrophobicContact CG1-CG 4.34Å; V2295-L2297 PolarHBondContact O-N 2.92Å; V2295-L2297 VanDerWaalsContact O-N 3.12Å; L2297-L2373 WeakPolarHBondContact O-CD1 3.41Å
2298P37.9Very low37.9Very low47 Ų4769.1 Ų69.131%0.30538%0.382SS..PPolyproline II helixtrans-55.3132.4176.618.5-29.6000110.6L2113 P2115 I2296 K2300L2113-P2298 WeakPolarHBondContact O-CD 3.25Å; P2115-P2298 HydrophobicContact CB-CB 4.23Å; P2115-P2298 HydrophobicContact CB-CG 3.88Å; P2115-P2298 HydrophobicContact CG-CB 4.31Å; P2115-P2298 HydrophobicContact CG-CG 3.96Å; I2296-P2298 WeakPolarHBondContact O-CD 3.4Å; P2298-K2300 PolarHBondContact O-N 3.07Å
2299P34.4Very low37.2Very low66 Ų6669.5 Ų69.543%0.42940%0.398SS..PPolyproline II helixtrans-69.9120.5-168.426.7-34.9000110.9K2376P2299-K2376 HydrophobicContact CB-CD 4.04Å; P2299-K2376 HydrophobicContact CB-CG 4.5Å; P2299-K2376 HydrophobicContact CG-CD 4.4Å; P2299-K2376 PolarHBondContact O-NZ 3.29Å
2300K38.6Very low36Very low89 Ų8973 Ų7339%0.38742%0.42SS..PPolyproline II helixtrans-49.7141175.2-60.5-173.9-176.2178.40111.3P2298 F2302 K2376P2298-K2300 PolarHBondContact O-N 3.07Å; K2300-F2302 HydrophobicContact CB-CD2 4.18Å; K2300-F2302 HydrophobicContact CB-CE2 3.63Å; K2300-F2302 HydrophobicContact CB-CZ 4.06Å; K2300-F2302 HydrophobicContact CD-CE1 4.3Å; K2300-F2302 HydrophobicContact CD-CE2 3.68Å; K2300-F2302 HydrophobicContact CD-CZ 3.36Å; K2300-F2302 HydrophobicContact CG-CE2 4.34Å; K2300-F2302 HydrophobicContact CG-CZ 4.38Å; K2300-K2376 PolarHBondContact O-NZ 3.39Å; K2300-K2376 VanDerWaalsContact O-NZ 3.16Å
2301V37.2Very low35.3Very low66 Ų6675.8 Ų75.840%0.444%0.439SS..PPolyproline II helixtrans-97.8147160.1-178.40000105.9D2303 F2378V2301-D2303 WeakPolarHBondContact CG1-OD2 3.29Å; V2301-F2378 HydrophobicContact CG1-CE1 4.26Å
2302F35.7Very low34.5Very low69 Ų6981.1 Ų81.130%0.30347%0.471SS..  trans-139.3100.3168.3-64.8-81.6000106.7F2118 F2226 K2300F2118-F2302 HydrophobicContact CB-CD1 4.27Å; F2118-F2302 HydrophobicContact CB-CE1 4.12Å; F2118-F2302 AromaticContact CD2-CE1 3.88Å; F2118-F2302 HydrophobicContact CD2-CE1 3.88Å; F2118-F2302 HydrophobicContact CG-CE1 4.34Å; F2226-F2302 HydrophobicContact CE1-CD2 4.46Å; F2226-F2302 AromaticContact CE1-CE2 3.69Å; F2226-F2302 HydrophobicContact CE1-CE2 3.69Å; F2226-F2302 AromaticContact CE1-CZ 3.73Å; F2226-F2302 HydrophobicContact CE1-CZ 3.73Å; F2226-F2302 HydrophobicContact CZ-CE2 4.46Å; F2226-F2302 HydrophobicContact CZ-CZ 4.46Å; K2300-F2302 HydrophobicContact CB-CD2 4.18Å; K2300-F2302 HydrophobicContact CB-CE2 3.63Å; K2300-F2302 HydrophobicContact CB-CZ 4.06Å; K2300-F2302 HydrophobicContact CD-CE1 4.3Å; K2300-F2302 HydrophobicContact CD-CE2 3.68Å; K2300-F2302 HydrophobicContact CD-CZ 3.36Å; K2300-F2302 HydrophobicContact CG-CE2 4.34Å; K2300-F2302 HydrophobicContact CG-CZ 4.38Å
2303D31.9Very low33.6Very low104 Ų10481.7 Ų81.756%0.55647%0.47SS*.  trans-96.999170.5-75.2-52.1000107.8V2301V2301-D2303 WeakPolarHBondContact CG1-OD2 3.29Å
2304V35.9Very low32.9Very low75 Ų7586.8 Ų86.846%0.45550%0.496SS..  trans-10487177.9-178.30000108.1T2306V2304-T2306 HydrophobicContact CG1-CG2 4.49Å; V2304-T2306 PolarHBondContact O-N 3.37Å
2305Q33.8Very low32.6Very low130 Ų13087.2 Ų87.261%0.60750%0.501SS*.  trans-91.395.3-174.3-169.5175.764.300111.1
2306T35.3Very low31.8Very low45 Ų4592.3 Ų92.328%0.27652%0.52SS..  trans-88.4138.5176.545.30000111.9V2304V2304-T2306 HydrophobicContact CG1-CG2 4.49Å; V2304-T2306 PolarHBondContact O-N 3.37Å
2307Q28.7Very low31.1Very low118 Ų11890.9 Ų90.955%0.55152%0.518SS*.  trans-124.7134.3-179.4-69.1-176.8-7.500110.8
2308S32.2Very low30.6Very low85 Ų8591.9 Ų91.959%0.59452%0.52SS*.PPolyproline II helixtrans-89.2135.7-172.155.30000114
2309G29.9Very low30Very low57 Ų5794.7 Ų94.759%0.58854%0.536SS*.PPolyproline II helixtrans-94.7160.316600000113.5
2310T26.6Very low29.8Very low129 Ų12994.8 Ų94.879%0.79154%0.537SS*.PPolyproline II helixtrans-102.2144.4179.850.10000112.8
2311V24.3Very low29.3Very low86 Ų8695.9 Ų95.952%0.52154%0.543SS..  trans-130.8137.5172.1-176.70000109.3T2126 L2236T2126-V2311 HydrophobicContact CG2-CG2 4.49Å; L2236-V2311 HydrophobicContact CB-CG1 4.27Å; L2236-V2311 HydrophobicContact CD2-CG1 3.81Å
2312T27.6Very low28.9Very low116 Ų11697.2 Ų97.271%0.71255%0.545SS*.  trans-97.6141.9-172.6-54.90000111.8L2236L2236-T2312 WeakPolarHBondContact CD2-O 3.32Å
2313I30.2Very low28.5Very low59 Ų59100.4 Ų100.430%0.30356%0.561SS.*  trans-119.6129.9-176-51.6168.8000110L2236 V2387L2236-I2313 HydrophobicContact CD1-CG1 4.07Å; L2236-I2313 HydrophobicContact CD1-CG2 4.45Å; L2236-I2313 HydrophobicContact CD2-CB 4.33Å; L2236-I2313 HydrophobicContact CD2-CG1 3.69Å; I2313-V2387 HydrophobicContact CD1-CG1 3.47Å; I2313-V2387 VanDerWaalsContact CD1-CG1 3.47Å
2314N23.9Very low28.2Very low129 Ų129104.7 Ų104.769%0.6957%0.569SS**  trans-132.7136.5164-76.4-25.5000108.6
2315S26.4Very low27.9Very low68 Ų68104 Ų10448%0.47657%0.566SS.*  trans-159.4134.8173.9-65.40000110.6
2316E22.8Very low27.6Very low167 Ų167102.5 Ų102.578%0.7856%0.561SS**  trans-119.5146.4172.8-66.3-176.3172.400109.4
2317T25.2Very low27.5Very low97 Ų97104.2 Ų104.260%0.59557%0.568SS**  trans-152.2125.9177.9-56.40000109.4
2318Q24.9Very low27.6Very low128 Ų128102.8 Ų102.860%0.59856%0.561SS**  trans-113.1127.7-174-166.6175.237.300110Q2242Q2242-Q2318 HydrophobicContact CG-CB 4.46Å
2319T25.1Very low27.9Very low105 Ų105101.7 Ų101.764%0.64455%0.551SS**  trans-112.4125.3-169.5-31.80000112.1
2320P29Very low28.1Very low69 Ų69102.3 Ų102.345%0.44854%0.537SS..  trans-99171.7-173.6-0.422.4000114.9T2243T2243-P2320 WeakPolarHBondContact O-CD 3.36Å; T2243-P2320 WeakPolarHBondContact O-CG 3.5Å
2321Q28.5Very low28.6Very low112 Ų112100 Ų10052%0.52352%0.52SS..  trans-95.2143172.5-61.7171.9-69.900111.8P2396 Q2397Q2321-P2396 HydrophobicContact CG-CB 3.54Å; Q2321-P2396 HydrophobicContact CG-CG 3.66Å; Q2321-Q2397 PolarHBondContact NE2-O 3.21Å
2322E28.8Very low29Very low93 Ų9399.9 Ų99.944%0.43552%0.516SS..  trans-171.5120.1130.4-99.8-174.5145.100108.3E2246 Q2247E2246-E2322 WeakPolarHBondContact O-CB 3.47Å; Q2247-E2322 VanDerWaalsContact CB-OE2 3.23Å; Q2247-E2322 WeakPolarHBondContact CB-OE2 3.41Å; Q2247-E2322 WeakPolarHBondContact CG-OE1 3.44Å; Q2247-E2322 WeakPolarHBondContact CG-OE2 3.49Å; Q2247-E2322 PolarHBondContact NE2-OE1 3.31Å
2323H26.9Very low29.6Very low137 Ų13798.5 Ų98.563%0.63450%0.503SS*.  77.6122.185.1-78.861.5000115.4
2324R26.8Very low29.9Very low194 Ų19498.5 Ų98.573%0.73251%0.506SS*.  trans-107.1145.9-158-64.2170.5177-95.6-0.9114.2P2401R2324-P2401 HydrophobicContact CB-CG 3.83Å
2325P30.4Very low30.1Very low60 Ų6097 Ų9739%0.3950%0.495SS..  trans-86.1173.7159.9-2.822.5000113.6V2250V2250-P2325 HydrophobicContact CB-CB 4.31Å; V2250-P2325 HydrophobicContact CG2-CB 3.68Å
2326I25.9Very low30.3Very low99 Ų9998 Ų9851%0.50849%0.492SS..  trans-99.5154.2171.6-65.1159.1000109.4V2250 P2401V2250-I2326 WeakPolarHBondContact CG1-O 3.47Å; I2326-P2401 HydrophobicContact CG1-CB 3.63Å
2327I33.5Very low30.4Very low81 Ų8193.6 Ų93.642%0.41547%0.472SS..  trans-138137.7171.8-57.7-178.9000108.4V2329I2327-V2329 HydrophobicContact CG2-CG2 4.24Å
2328E30.4Very low30.4Very low88 Ų8896 Ų9641%0.41147%0.474SS..  trans-107.8144.7175.6-165.7-175.1149.500110K2330E2328-K2330 WeakPolarHBondContact OE1-CE 3.38Å; E2328-K2330 IonicContact OE1-NZ 3.26Å; E2328-K2330 PolarHBondContact OE1-NZ 3.31Å
2329V39.8Very low30.3Very low62 Ų6297.5 Ų97.538%0.37647%0.474SS..EExtended strand (participates in β ladder)trans-145.2148.6-171.5-174.70000110.6I2327I2327-V2329 HydrophobicContact CG2-CG2 4.24Å
2330K33.2Very low30.4Very low70 Ų7096.8 Ų96.830%0.30447%0.471SS..EExtended strand (participates in β ladder)trans-138.3141.3-178.2-65.1-178.2174.3102.10112.9D2255 E2328D2255-K2330 PolarHBondContact N-O 3.05Å; E2328-K2330 WeakPolarHBondContact OE1-CE 3.38Å; E2328-K2330 IonicContact OE1-NZ 3.26Å; E2328-K2330 PolarHBondContact OE1-NZ 3.31Å
2331D37.2Very low29.9Very low80 Ų80100.8 Ų100.843%0.42848%0.484SS..  trans61.2134.6161-62.8-67.9000122.6
2332L33.7Very low29.6Very low84 Ų8497.7 Ų97.744%0.4447%0.473SS..EExtended strand (participates in β ladder)trans-165.7136.2-172.9-160.275.8000115.7M2256 L2408 I2409M2256-L2332 HydrophobicContact CB-CD1 3.68Å; L2332-L2408 HydrophobicContact CB-CD1 4.14Å; L2332-L2408 HydrophobicContact CD2-CD1 4.04Å; L2332-I2409 PolarHBondContact O-N 2.96Å
2333I39.6Very low29.3Very low86 Ų8699.5 Ų99.544%0.44149%0.485SS..EExtended strand (participates in β ladder)trans-149150.2-166.2-47.9-178.5000118.3M2258M2258-I2333 PolarHBondContact N-O 2.94Å
2334T35.7Very low29.2Very low59 Ų5995.8 Ų95.836%0.36247%0.471SS..EExtended strand (participates in β ladder)trans-164.10177.5-35.20000120.3M2258M2258-T2334 HydrophobicContact CB-CG2 4.27Å; M2258-T2334 WeakPolarHBondContact O-CA 3.44Å
2335Q29.2Very low29.1Very low97 Ų9790.9 Ų90.945%0.45346%0.457SS..  000-59.3-171.4-10.700122.6H2260 Q2411H2260-Q2335 PolarHBondContact N-O 3.1Å; Q2335-Q2411 HydrophobicContact CG-CB 4.46Å
2336H29.5Very low28.9Very low90 Ų9093 Ų9342%0.41746%0.459SS..  000-173.2-65.9000125H2260 H2261H2260-H2336 AromaticContact CG-CD2 3.98Å; H2260-H2336 AromaticContact ND1-CD2 3.44Å; H2260-H2336 PolarHBondContact ND1-CD2 2.6Å; H2260-H2336 AromaticContact ND1-NE2 3.61Å; H2260-H2336 VanDerWaalsContact O-CA 3.23Å; H2260-H2336 WeakPolarHBondContact O-CA 3.34Å; H2260-H2336 WeakPolarHBondContact O-CB 3.13Å; H2260-H2336 PolarHBondContact O-CD2 3.07Å; H2261-H2336 VanDerWaalsContact CE1-C 3.45Å
2337E25.3Very low28.7Very low75 Ų7590.5 Ų90.535%0.3545%0.445SS..  000-116.9-80.167.700123.2H2261 K2262 R2339H2261-E2337 PolarHBondContact CE1-N 3.28Å; H2261-E2337 PolarHBondContact ND1-N 3.24Å; H2261-E2337 VanDerWaalsContact ND1-N 3.15Å; H2261-E2337 WeakPolarHBondContact NE2-CB 3.44Å; H2261-E2337 PolarHBondContact NE2-N 3.4Å; K2262-E2337 PolarHBondContact N-O 2.88Å; E2337-R2339 IonicContact OE1-NH1 2.68Å; E2337-R2339 IonicContact OE2-CZ 3.24Å; E2337-R2339 VanDerWaalsContact OE2-CZ 3.23Å; E2337-R2339 IonicContact OE2-NH1 2.72Å; E2337-R2339 PolarHBondContact OE2-NH1 2.87Å; E2337-R2339 IonicContact OE2-NH2 2.72Å; E2337-R2339 PolarHBondContact OE2-NH2 3.42Å
2338K25.2Very low28.3Very low148 Ų14890 Ų9064%0.64344%0.443SS*.  000-176.3-173.1168-169.10122.1K2262K2262-K2338 CarbonylContact O-C 3.55Å; K2262-K2338 VanDerWaalsContact O-CA 3.3Å; K2262-K2338 WeakPolarHBondContact O-CA 3.39Å
2339R22.7Very low28Very low159 Ų15991.3 Ų91.360%0.645%0.449SS*.  000-90.1151.1-161.881.63.4122.1P2264 E2337P2264-R2339 VanDerWaalsContact CB-O 3.23Å; P2264-R2339 WeakPolarHBondContact CB-O 3.44Å; P2264-R2339 WeakPolarHBondContact CD-O 3.29Å; P2264-R2339 WeakPolarHBondContact CG-O 3.42Å; E2337-R2339 IonicContact OE1-NH1 2.68Å; E2337-R2339 IonicContact OE2-CZ 3.24Å; E2337-R2339 VanDerWaalsContact OE2-CZ 3.23Å; E2337-R2339 IonicContact OE2-NH1 2.72Å; E2337-R2339 PolarHBondContact OE2-NH1 2.87Å; E2337-R2339 IonicContact OE2-NH2 2.72Å; E2337-R2339 PolarHBondContact OE2-NH2 3.42Å
2340P26.6Very low27.4Very low89 Ų8989.7 Ų89.758%0.57844%0.442SS*.  00043.8-33.3000121.1
2341E19.7Very low27Very low153 Ų15391.9 Ų91.972%0.71546%0.456SS*.  000-83.6160.4-128.400119.9P2264P2264-E2341 HydrophobicContact CB-CG 4.49Å
2342P21.4Very low26.5Very low47 Ų4790.5 Ų90.531%0.30545%0.45SS..  00042.9-31.9000128.3Q2158 P2266 I2267Q2158-P2342 HydrophobicContact CB-CG 4.31Å; Q2158-P2342 HydrophobicContact CG-CG 3.4Å; P2266-P2342 HydrophobicContact CB-CG 4.22Å; P2266-P2342 WeakPolarHBondContact CB-O 3.4Å; P2266-P2342 HydrophobicContact CG-CG 3.94Å; I2267-P2342 WeakPolarHBondContact CD1-O 3.42Å
2343I22.9Very low25.9Very low132 Ų13289.9 Ų89.968%0.67745%0.445SS*.  000-146.4165.5000126.8S2159S2159-I2343 PolarHBondContact OG-O 2.9Å; S2159-I2343 VanDerWaalsContact OG-O 3.14Å
2344V25.7Very low25Very low58 Ų5887.5 Ų87.535%0.35244%0.435SS..  000-430000127V2160 I2267 H2269V2160-V2344 HydrophobicContact CG1-CB 3.86Å; V2160-V2344 HydrophobicContact CG1-CG1 4.07Å; I2267-V2344 HydrophobicContact CB-CG1 4.4Å; H2269-V2344 HydrophobicContact CB-CG2 4.42Å
2345H23.2Very low24.3Very low92 Ų9287.2 Ų87.243%0.42643%0.434SS..  000-140-66.2000124.5P2161 Q2199 T2200 H2269P2161-H2345 WeakPolarHBondContact CB-O 3.4Å; Q2199-H2345 VanDerWaalsContact C-CE1 3.5Å; Q2199-H2345 PolarHBondContact O-CE1 3.06Å; Q2199-H2345 PolarHBondContact O-NE2 3.14Å; T2200-H2345 VanDerWaalsContact C-CE1 3.43Å; T2200-H2345 PolarHBondContact O-CE1 3.13Å; T2200-H2345 VanDerWaalsContact O-CE1 3.32Å; H2269-H2345 WeakPolarHBondContact CB-O 3.22Å
2346K25.8Very low24.6Very low103 Ų10387.4 Ų87.445%0.44844%0.442SS..  0003747.7-164.2147.80126.6
2347K23.4Very low24.2Very low47 Ų4789 Ų8920%0.20445%0.453CS..  000-149.9-162.8172.6-178.80120.7Q2201 E2202 T2203Q2201-K2347 HydrophobicContact CB-CD 3.8Å; Q2201-K2347 HydrophobicContact CG-CD 3.48Å; Q2201-K2347 VanDerWaalsContact CG-CD 3.48Å; Q2201-K2347 VanDerWaalsContact NE2-NZ 3.2Å; E2202-K2347 HydrophobicContact CG-CB 4.09Å; E2202-K2347 HydrophobicContact CG-CD 4.38Å; T2203-K2347 PolarHBondContact OG1-N 2.77Å
2348L24.7Very low24.2Very low70 Ų7088.9 Ų88.937%0.36645%0.454SS..  0-1780-4288.6000121K2271K2271-L2348 HydrophobicContact CB-CG 4.29Å; K2271-L2348 HydrophobicContact CD-CD1 4.2Å; K2271-L2348 HydrophobicContact CD-CD2 3.77Å; K2271-L2348 HydrophobicContact CD-CG 4.12Å; K2271-L2348 HydrophobicContact CG-CD2 3.89Å; K2271-L2348 HydrophobicContact CG-CG 4.07Å
2349Q24.3Very low23.9Very low117 Ų11785.9 Ų85.955%0.54745%0.448SS..  trans93131157.9-170.961.1-1400127.5Q2165Q2165-Q2349 VanDerWaalsContact CG-C 3.45Å; Q2165-Q2349 WeakPolarHBondContact CG-O 3.41Å
2350A25.9Very low24.6Very low27 Ų2782.8 Ų82.822%0.22344%0.441CS..  trans174.9168.1174.700000120Q2165 I2167Q2165-A2350 HydrophobicContact CB-CB 3.98Å; Q2165-A2350 VanDerWaalsContact CD-CB 3.49Å; Q2165-A2350 HydrophobicContact CG-CB 3.6Å; I2167-A2350 HydrophobicContact CD1-CB 4.02Å; I2167-A2350 HydrophobicContact CG1-CB 4Å
2351I25.6Very low25Very low117 Ų11783.2 Ų83.260%0.644%0.442SS*.  trans-178.9154.4176.5-104.8151.4000113.1I2167 I2275I2167-I2351 VanDerWaalsContact CD1-O 3.3Å; I2167-I2351 WeakPolarHBondContact CD1-O 3.19Å; I2167-I2351 WeakPolarHBondContact CG1-O 3.42Å; I2275-I2351 HydrophobicContact CG2-CB 4.32Å; I2275-I2351 HydrophobicContact CG2-CG1 3.61Å
2352V26.6Very low26.4Very low51 Ų5178 Ų7831%0.30942%0.418SS..  cis-166.2148.6-14.4164.40000111.8I2167 I2275 V2276I2167-V2352 VanDerWaalsContact CG2-N 3.29Å; I2275-V2352 HydrophobicContact CB-CG2 4.25Å; I2275-V2352 HydrophobicContact CD1-CG2 3.98Å; I2275-V2352 HydrophobicContact CG1-CG2 4.08Å; I2275-V2352 HydrophobicContact CG2-CB 4.44Å; I2275-V2352 HydrophobicContact CG2-CG2 3.27Å; V2276-V2352 HydrophobicContact CG1-CG1 4.08Å
2353Q20.2Very low27.7Very low71 Ų7179.6 Ų79.633%0.33243%0.427SS..  trans164.10155.1-99-169.8125.700119.4V2168 V2169 V2276 Q2277V2168-Q2353 CarbonylContact C-O 3.36Å; V2168-Q2353 WeakPolarHBondContact CG2-O 3.34Å; V2168-Q2353 VanDerWaalsContact O-CB 3.28Å; V2168-Q2353 WeakPolarHBondContact O-CB 3.36Å; V2169-Q2353 CarbonylContact O-C 3.34Å; V2169-Q2353 WeakPolarHBondContact O-CB 3.42Å; V2276-Q2353 PolarHBondContact O-N 2.91Å; Q2277-Q2353 PolarHBondContact N-O 3.47Å
2354P21.4Very low28.5Very low36 Ų3677.9 Ų77.923%0.23442%0.417CS..  00029.7-38.6000125.7V2169 R2170 Q2277 P2278V2169-P2354 CarbonylContact C-O 3.17Å; V2169-P2354 VanDerWaalsContact CA-O 3.29Å; V2169-P2354 WeakPolarHBondContact CA-O 3.45Å; V2169-P2354 WeakPolarHBondContact CG2-O 3.49Å; V2169-P2354 PolarHBondContact N-O 2.87Å; V2169-P2354 CarbonylContact O-C 3.37Å; V2169-P2354 VanDerWaalsContact O-CA 3.28Å; V2169-P2354 WeakPolarHBondContact O-CA 3.36Å; V2169-P2354 WeakPolarHBondContact O-CD 3.35Å; V2169-P2354 WeakPolarHBondContact O-CG 3.4Å; R2170-P2354 HydrophobicContact CG-CG 4.31Å; Q2277-P2354 HydrophobicContact CB-CB 4.13Å; P2278-P2354 HydrophobicContact CB-CB 4.5Å; P2278-P2354 HydrophobicContact CG-CB 3.19Å
2355P20.1Very low29.5Very low53 Ų5378.8 Ų78.834%0.34442%0.423SS..  00038.5-13.5000124.7P2171 P2278P2171-P2355 HydrophobicContact CB-CG 4.09Å; P2171-P2355 HydrophobicContact CG-CG 4.36Å; P2278-P2355 VanDerWaalsContact CD-CA 3.41Å; P2278-P2355 VanDerWaalsContact CG-CA 3.44Å; P2278-P2355 HydrophobicContact CG-CB 4.1Å
2356T36.1Very low30.2Very low101 Ų10179.2 Ų79.262%0.6243%0.425SS*.  000-16.40000121.5P2279P2279-T2356 CarbonylContact O-C 3.4Å; P2279-T2356 WeakPolarHBondContact O-CB 3.35Å
2357I21.7Very low31Very low123 Ų12381.5 Ų81.563%0.63143%0.431SS*.  000-68.4-178.8000119.5I2281I2281-I2357 HydrophobicContact CB-CG2 4.2Å; I2281-I2357 HydrophobicContact CD1-CD1 4.45Å; I2281-I2357 HydrophobicContact CD1-CG1 4.17Å; I2281-I2357 HydrophobicContact CG2-CG2 4.45Å
2358N25.8Very low31.6Very low72 Ų7281.6 Ų81.639%0.38544%0.436SS..  000-16382.4000118.4I2281 N2282 E2360I2281-N2358 CarbonylContact C-O 3.07Å; I2281-N2358 CarbonylContact O-C 3.4Å; I2281-N2358 VanDerWaalsContact O-C 3.24Å; I2281-N2358 WeakPolarHBondContact O-CA 3.08Å; I2281-N2358 VanDerWaalsContact O-CB 3.26Å; I2281-N2358 WeakPolarHBondContact O-CB 3.41Å; N2282-N2358 WeakPolarHBondContact CA-O 3.46Å; N2282-N2358 PolarHBondContact N-O 3.32Å; N2282-N2358 PolarHBondContact OD1-ND2 3.41Å; N2358-E2360 PolarHBondContact ND2-OE1 3.16Å; N2358-E2360 VanDerWaalsContact ND2-OE1 3.13Å; N2358-E2360 PolarHBondContact ND2-OE2 3.4Å
2359T18.6Very low31.8Very low85 Ų8582.4 Ų82.452%0.52145%0.445SS..  0147.20-90.20000121.5T2283T2283-T2359 VanDerWaalsContact OG1-CG2 3.31Å; T2283-T2359 WeakPolarHBondContact OG1-CG2 3.13Å; T2283-T2359 PolarHBondContact OG1-OG1 2.7Å
2360E37.4Very low32.4Very low95 Ų9580.9 Ų80.944%0.44445%0.445SS..  trans-148.70-177.4-72.986.814.200121.6N2282 T2283 E2284 N2358N2282-E2360 VanDerWaalsContact CG-OE1 3.31Å; N2282-E2360 PolarHBondContact ND2-OE1 2.65Å; N2282-E2360 PolarHBondContact OD1-OE1 2.87Å; T2283-E2360 CarbonylContact C-O 3.56Å; T2283-E2360 CarbonylContact O-C 3.52Å; T2283-E2360 VanDerWaalsContact O-C 3.27Å; T2283-E2360 WeakPolarHBondContact O-CA 3.21Å; T2283-E2360 PolarHBondContact O-N 3.46Å; T2283-E2360 VanDerWaalsContact O-O 3.04Å; E2284-E2360 WeakPolarHBondContact CA-O 3.49Å; E2284-E2360 PolarHBondContact N-O 3.44Å; N2358-E2360 PolarHBondContact ND2-OE1 3.16Å; N2358-E2360 VanDerWaalsContact ND2-OE1 3.13Å; N2358-E2360 PolarHBondContact ND2-OE2 3.4Å
2361T35.3Very low32.7Very low98 Ų9885 Ų8560%0.60147%0.468SS*.  000-65.20000122.2E2284E2284-T2361 VanDerWaalsContact CD-C 3.47Å; E2284-T2361 VanDerWaalsContact OE1-CA 3.26Å; E2284-T2361 WeakPolarHBondContact OE1-CA 3.45Å; E2284-T2361 PolarHBondContact OE1-N 3.48Å; E2284-T2361 WeakPolarHBondContact OE2-CA 3.44Å
2362Q48Very low32.7Very low43 Ų4384.3 Ų84.320%0.20146%0.464CS..  0142.30-145.6175.3121.700126.6M1839 A1840 T1841 E2284 T2285 Q2286M1839-Q2362 HydrophobicContact CB-CB 4.23Å; M1839-Q2362 HydrophobicContact CB-CG 4.35Å; M1839-Q2362 WeakPolarHBondContact CE-O 3.33Å; M1839-Q2362 VanDerWaalsContact O-CD 3.25Å; M1839-Q2362 PolarHBondContact O-NE2 2.67Å; M1839-Q2362 PolarHBondContact O-OE1 2.98Å; A1840-Q2362 VanDerWaalsContact C-OE1 3.29Å; T1841-Q2362 PolarHBondContact OG1-NE2 3.32Å; T1841-Q2362 VanDerWaalsContact OG1-NE2 3.09Å; E2284-Q2362 PolarHBondContact OE2-N 3.39Å; T2285-Q2362 CarbonylContact C-O 3.54Å; T2285-Q2362 CarbonylContact O-C 3.28Å; T2285-Q2362 WeakPolarHBondContact O-CA 3.38Å; T2285-Q2362 PolarHBondContact O-N 2.84Å; Q2286-Q2362 WeakPolarHBondContact CA-O 3.18Å; Q2286-Q2362 WeakPolarHBondContact CB-O 3.41Å
2363T49.4Very low33Very low81 Ų8186.6 Ų86.650%0.49747%0.474SS..  trans-108148.9172.9-78.40000117.9M1839 T2287M1839-T2363 VanDerWaalsContact CE-CA 3.47Å; T2287-T2363 WeakPolarHBondContact CB-OG1 3.23Å; T2287-T2363 HydrophobicContact CG2-CG2 3.73Å
2364M39.4Very low33.4Very low95 Ų9588.1 Ų88.147%0.46849%0.49SS..BIsolated β-bridgetrans-96.5138.4-172.8-159.8-173.1-176.600117.5M1839 T2287 M2288 V2289M1839-M2364 HydrophobicContact CE-CB 3.92Å; M1839-M2364 VanDerWaalsContact CE-N 3.31Å; M1839-M2364 HydrophobicContact SD-CB 3.65Å; M1839-M2364 HydrophobicContact SD-CG 4.05Å; T2287-M2364 PolarHBondContact O-N 2.79Å; M2288-M2364 CarbonylContact C-O 3.45Å; M2288-M2364 VanDerWaalsContact CA-O 3.25Å; M2288-M2364 WeakPolarHBondContact CA-O 2.9Å; M2288-M2364 HydrophobicContact CB-CB 4.26Å; M2288-M2364 HydrophobicContact CG-CB 4.3Å; V2289-M2364 PolarHBondContact N-O 2.88Å
2365V47.6Very low33.8Very low78 Ų7892.4 Ų92.447%0.47352%0.518SS..  trans-138.3112.5175.5173.30000111.9V2289 R2367V2289-V2365 HydrophobicContact CB-CG2 4.29Å; V2289-V2365 VanDerWaalsContact O-CA 3.23Å; V2289-V2365 WeakPolarHBondContact O-CA 2.84Å; V2289-V2365 WeakPolarHBondContact O-CB 3.04Å; V2289-V2365 WeakPolarHBondContact O-CG1 3.49Å; V2289-V2365 WeakPolarHBondContact O-CG2 3.5Å; V2365-R2367 PolarHBondContact O-N 2.93Å
2366E37.3Very low34.3Very low101 Ų10194.2 Ų94.247%0.47252%0.52SS..  trans-72.4122.4173.9-162.1-152.8-159.600110.2R2107 E2290 G2291R2107-E2366 IonicContact CZ-OE2 2.71Å; R2107-E2366 IonicContact NH1-OE2 3.03Å; R2107-E2366 PolarHBondContact NH1-OE2 2.73Å; R2107-E2366 VanDerWaalsContact NH2-C 3.27Å; R2107-E2366 PolarHBondContact NH2-O 3.36Å; R2107-E2366 IonicContact NH2-OE2 3.9Å; R2107-E2366 PolarHBondContact NH2-OE2 2.71Å; E2290-E2366 HydrophobicContact CG-CB 4.15Å; G2291-E2366 WeakPolarHBondContact CA-O 3.19Å; G2291-E2366 PolarHBondContact N-O 3.16Å
2367R43Very low33.9Very low151 Ų15195.5 Ų95.557%0.5753%0.528SS*.  trans-139.2129.9167.8-161.1-178-68.9-125.615.6111.2P2292 V2365P2292-R2367 VanDerWaalsContact O-CD 3.29Å; P2292-R2367 WeakPolarHBondContact O-CD 3.17Å; P2292-R2367 VanDerWaalsContact O-CG 3.28Å; P2292-R2367 WeakPolarHBondContact O-CG 3.03Å; P2292-R2367 VanDerWaalsContact O-CZ 3.29Å; P2292-R2367 PolarHBondContact O-NE 3.38Å; P2292-R2367 PolarHBondContact O-NH1 3.27Å; V2365-R2367 PolarHBondContact O-N 2.93Å
2368P35.7Very low34.3Very low49 Ų4994.2 Ų94.232%0.31852%0.518SS..  trans-67.6165.9-173.626.7-38.9000115.2P2293 P2294P2293-P2368 HydrophobicContact CB-CG 3.98Å; P2294-P2368 HydrophobicContact CG-CB 4.48Å; P2294-P2368 HydrophobicContact CG-CG 3.89Å
2369P28.5Very low34.2Very low87 Ų8798.5 Ų98.557%0.56554%0.541SS*.  trans-65.6144.6-168.123.9-35.5000115A1847 V2371A1847-P2369 HydrophobicContact CB-CB 4.45Å; P2369-V2371 PolarHBondContact O-N 3.31Å
2370P36Very low34.7Very low84 Ų8499.4 Ų99.455%0.54555%0.546SS..  trans-74.3113.5173.430.3-33000110.7A1847A1847-P2370 WeakPolarHBondContact CB-O 3.12Å
2371V32.1Very low34.2Very low114 Ų114103.3 Ų103.369%0.69156%0.564SS**PPolyproline II helixtrans-68139.4-178.11740000112P2369 L2373P2369-V2371 PolarHBondContact O-N 3.31Å; V2371-L2373 PolarHBondContact O-N 3.3Å
2372I27.2Very low33.8Very low102 Ų102103.7 Ų103.752%0.52357%0.566SS.*PPolyproline II helixtrans-67.7118.6172.9-44.594000109.7A1847 Q1848A1847-I2372 HydrophobicContact CB-CD1 3.69Å; A1847-I2372 HydrophobicContact CB-CG1 4.31Å; Q1848-I2372 WeakPolarHBondContact O-CD1 3.34Å; Q1848-I2372 VanDerWaalsContact O-CG1 3.27Å; Q1848-I2372 WeakPolarHBondContact O-CG1 3.41Å
2373L32.9Very low32.6Very low100 Ų100109.6 Ų109.652%0.52459%0.594SS.*PPolyproline II helixtrans-100.8120.4161.1-72.2173000107.7L2297 V2371L2297-L2373 WeakPolarHBondContact O-CD1 3.41Å; V2371-L2373 PolarHBondContact O-N 3.3Å
2374P28.2Very low31.6Very low102 Ų102111.3 Ų111.366%0.66261%0.61SS**PPolyproline II helixtrans-67.1158.9-176.626.9-34.2000112.3K2376P2374-K2376 PolarHBondContact O-N 3.49Å
2375P29Very low31Very low126 Ų126110.1 Ų110.182%0.81862%0.621SS**PPolyproline II helixtrans-62.5132.7-175.3-2133000112.1V2377P2375-V2377 PolarHBondContact O-N 3.05Å
2376K31.8Very low29.8Very low91 Ų91112.8 Ų112.840%0.39664%0.638SS.*  trans-82.7112.8165.7-84.7-163.4166.4179.40109.8P2299 K2300 P2374 F2378P2299-K2376 HydrophobicContact CB-CD 4.04Å; P2299-K2376 HydrophobicContact CB-CG 4.5Å; P2299-K2376 HydrophobicContact CG-CD 4.4Å; P2299-K2376 PolarHBondContact O-NZ 3.29Å; K2300-K2376 PolarHBondContact O-NZ 3.39Å; K2300-K2376 VanDerWaalsContact O-NZ 3.16Å; P2374-K2376 PolarHBondContact O-N 3.49Å; K2376-F2378 HydrophobicContact CB-CD2 4.16Å; K2376-F2378 HydrophobicContact CB-CE2 3.62Å; K2376-F2378 HydrophobicContact CB-CZ 4.25Å; K2376-F2378 HydrophobicContact CD-CE2 3.96Å; K2376-F2378 HydrophobicContact CD-CZ 3.73Å; K2376-F2378 HydrophobicContact CG-CE2 4.45Å
2377V26.4Very low29.1Very low129 Ų129113.2 Ų113.278%0.78265%0.647SS**  trans-73.5138158.8-176.10000107.8P2375P2375-V2377 PolarHBondContact O-N 3.05Å
2378F30Very low28.1Very low96 Ų96111 Ų11142%0.42165%0.651SS.*  trans-123.9128.1166.9-70.7-90.5000107.2V2301 K2376V2301-F2378 HydrophobicContact CG1-CE1 4.26Å; K2376-F2378 HydrophobicContact CB-CD2 4.16Å; K2376-F2378 HydrophobicContact CB-CE2 3.62Å; K2376-F2378 HydrophobicContact CB-CZ 4.25Å; K2376-F2378 HydrophobicContact CD-CE2 3.96Å; K2376-F2378 HydrophobicContact CD-CZ 3.73Å; K2376-F2378 HydrophobicContact CG-CE2 4.45Å
2379D24.7Very low27.6Very low162 Ų162114.5 Ų114.587%0.86667%0.665SS**  trans-80.6121.6178.4-103.9-46.6000110.1
2380V29.4Very low27.2Very low104 Ų104117.1 Ų117.163%0.6368%0.675SS**  trans-9991.9178.7-178.30000109.1T2382V2380-T2382 HydrophobicContact CG1-CG2 4.39Å; V2380-T2382 PolarHBondContact O-N 2.77Å; V2380-T2382 VanDerWaalsContact O-N 3.14Å
2381Q25.6Very low26.6Very low176 Ų176117.6 Ų117.682%0.82268%0.68SS**  trans-85.680.9-176.3-164.4173.745.100112.1Q2383Q2381-Q2383 PolarHBondContact O-N 3.06Å
2382T27.6Very low26.1Very low106 Ų106121.4 Ų121.465%0.6569%0.69SS**  trans-70.1123.8173.943.10000112.3V2380V2380-T2382 HydrophobicContact CG1-CG2 4.39Å; V2380-T2382 PolarHBondContact O-N 2.77Å; V2380-T2382 VanDerWaalsContact O-N 3.14Å
2383Q23.8Very low25.8Very low167 Ų167122.1 Ų122.178%0.7870%0.7SS**  trans-115.3134.7164.7-64-167.611.300110.4Q2381Q2381-Q2383 PolarHBondContact O-N 3.06Å
2384S28.1Very low25.3Very low118 Ų118126.3 Ų126.383%0.82572%0.716SS**  trans-110.5122.3-173.555.60000111.8
2385G25.2Very low25.1Very low69 Ų69127.6 Ų127.671%0.71172%0.723SS**PPolyproline II helixtrans-79141.8170.400000112.5
2386T22.9Very low25Very low135 Ų135125.3 Ų125.383%0.82871%0.708SS**PPolyproline II helixtrans-87.8137.117747.80000112.1
2387V22.5Very low24.5Very low109 Ų109128.5 Ų128.566%0.66172%0.724SS**PPolyproline II helixtrans-100.4124.4169.3-179.40000109.1I2313 I2389I2313-V2387 HydrophobicContact CD1-CG1 3.47Å; I2313-V2387 VanDerWaalsContact CD1-CG1 3.47Å; V2387-I2389 HydrophobicContact CG1-CG1 4.09Å
2388T23.4Very low24.4Very low106 Ų106127.8 Ų127.865%0.6571%0.712SS**PPolyproline II helixtrans-96.4127.5172.8-54.90000109.1
2389I23.4Very low24Very low121 Ų121130.5 Ų130.562%0.62173%0.726SS**  trans-120.3117.8175.6-56176.6000107.5V2387V2387-I2389 HydrophobicContact CG1-CG1 4.09Å
2390N21.9Very low23.9Very low143 Ų143133.3 Ų133.377%0.76572%0.724SS**  trans-95.6121.9169-71-12.1000108.2
2391S22.3Very low23.8Very low93 Ų93130.8 Ų130.865%0.6571%0.71SS**  trans-146.5108.3177.159.10000109.8
2392E21.5Very low23.7Very low194 Ų194129.4 Ų129.491%0.90771%0.707SS**  trans-84.5153.5167-64.6-162.8143.100110.2
2393T22.1Very low23.8Very low118 Ų118129.4 Ų129.472%0.72470%0.702SS**  trans-152.7126-178.4-57.60000109
2394Q22.6Very low23.8Very low187 Ų187127.6 Ų127.687%0.87469%0.693SS**  trans-118.9121.7-175-160.5167.443.800111.2
2395T22.5Very low24Very low129 Ų129126.9 Ų126.979%0.79168%0.684SS**  trans-100126.5-167.949.60000113.5
2396P27Very low24.2Very low79 Ų79127.8 Ų127.851%0.51367%0.668SS.*  trans-93.8146.7172.5-5.925.5000114.6Q2321Q2321-P2396 HydrophobicContact CG-CB 3.54Å; Q2321-P2396 HydrophobicContact CG-CG 3.66Å
2397Q22.3Very low24.6Very low157 Ų157127 Ų12773%0.73466%0.659SS**  trans-72.5176.5159-74.9-176.7-81.900111.4Q2321Q2321-Q2397 PolarHBondContact NE2-O 3.21Å
2398E23.3Very low25Very low115 Ų115127.6 Ų127.654%0.53766%0.658SS.*  cis-174.9147.9-35.1175.5173.8-167.500105.1
2399H22.6Very low25.4Very low153 Ų153127 Ų12771%0.70865%0.65SS**  trans173.7156.6143.8-87.3-29.3000111.4
2400R22.5Very low25.8Very low220 Ų220126 Ų12683%0.8365%0.649SS**  trans-116.6125.7-172.8-59.7-179.3-176.3-142.31.5111.8
2401P26.9Very low26Very low51 Ų51124.9 Ų124.933%0.33164%0.64SS.*  trans-77.1153.4155.6-4.322.4000110.4R2324 I2326R2324-P2401 HydrophobicContact CB-CG 3.83Å; I2326-P2401 HydrophobicContact CG1-CB 3.63Å
2402I23.6Very low26.4Very low147 Ų147129.3 Ų129.375%0.75465%0.65SS**  trans-93138.9174.5-63.8166000108.1
2403I28.6Very low26.5Very low107 Ų107126.8 Ų126.855%0.54964%0.638SS.*  trans-106121.3169.3-58.9176000107.2V2405I2403-V2405 HydrophobicContact CG2-CG2 4.04Å
2404E25.6Very low26.7Very low128 Ų128130.9 Ų130.960%0.59865%0.646SS**  trans-91.5107.3174.7-166-178.9144.800108.9K2406E2404-K2406 WeakPolarHBondContact OE1-CE 3.38Å; E2404-K2406 IonicContact OE1-NZ 2.92Å; E2404-K2406 PolarHBondContact OE1-NZ 3.39Å
2405V32.2Very low26.7Very low104 Ų104132 Ų13263%0.6364%0.642SS**EExtended strand (participates in β ladder)trans-94.3129.1-179.1-178.40000109.1I2403I2403-V2405 HydrophobicContact CG2-CG2 4.04Å
2406K27.8Very low26.8Very low87 Ų87131.6 Ų131.638%0.37864%0.641SS.*EExtended strand (participates in β ladder)trans-113.8122.2171.3-65.2-170.6178.971.60109.7E2404E2404-K2406 WeakPolarHBondContact OE1-CE 3.38Å; E2404-K2406 IonicContact OE1-NZ 2.92Å; E2404-K2406 PolarHBondContact OE1-NZ 3.39Å
2407D32.3Very low26.8Very low120 Ų120136.3 Ų136.364%0.64266%0.657SS**  trans55.8134.5172-58.6-47.6000119.2
2408L30.7Very low26.9Very low121 Ų121134 Ų13463%0.63466%0.655SS**  trans-152.3113.8-172.7-171.386.3000108.7L2332L2332-L2408 HydrophobicContact CB-CD1 4.14Å; L2332-L2408 HydrophobicContact CD2-CD1 4.04Å
2409I31.8Very low26.8Very low93 Ų93135.8 Ų135.848%0.47767%0.667SS.*EExtended strand (participates in β ladder)trans-123.3115.2-167.5-56.7-178.1000111.7L2332L2332-I2409 PolarHBondContact O-N 2.96Å
2410T31.4Very low26.7Very low100 Ų100134.1 Ų134.161%0.61367%0.667SS**EExtended strand (participates in β ladder)trans-126.8132.5179.3-47.70000110.2
2411Q26.8Very low26.7Very low120 Ų120132.9 Ų132.956%0.56167%0.67SS**  trans-129.2125.5178.3-70.4-170.1-5.900113.1Q2335Q2335-Q2411 HydrophobicContact CG-CB 4.46Å
2412H29.6Very low26.5Very low186 Ų186138.2 Ų138.286%0.86169%0.688SS**  trans-125114.7174.4-93-56.8000108.8
2413E24.7Very low26.5Very low141 Ų141137.3 Ų137.366%0.65969%0.685SS**  trans-107.5126.2168.2-159170.7-177.700111.3R2415E2413-R2415 WeakPolarHBondContact OE1-CD 2.98Å; E2413-R2415 IonicContact OE1-CZ 3.75Å; E2413-R2415 IonicContact OE1-NE 3.6Å; E2413-R2415 IonicContact OE1-NH1 3.87Å; E2413-R2415 PolarHBondContact OE1-NH1 3.5Å
2414K26.5Very low26.1Very low203 Ų203142.1 Ų142.188%0.88370%0.698SS**  trans-125.9124.9167.3-77.5178.5177.1172.50106.9
2415R21.2Very low26.2Very low212 Ų212145.6 Ų145.680%0.871%0.711SS**  trans-134.2147.7172.8-98.5-180163.1150.2-11.7113.3E2413E2413-R2415 WeakPolarHBondContact OE1-CD 2.98Å; E2413-R2415 IonicContact OE1-CZ 3.75Å; E2413-R2415 IonicContact OE1-NE 3.6Å; E2413-R2415 IonicContact OE1-NH1 3.87Å; E2413-R2415 PolarHBondContact OE1-NH1 3.5Å
2416P25.8Very low25.9Very low119 Ų119149.8 Ų149.877%0.77372%0.724SS**  trans-102.2169.5-170.69.414.4000112.9
2417E27.5Very low25.8Very low179 Ų179153 Ų15384%0.83674%0.741SS**  trans-65.2140167.6-58.2173.1173.900110.1
2418P23.8Very low25.5Very low109 Ų109154.7 Ų154.771%0.70875%0.746SS**  -153.6151.9103.137.4-19.2000117.8
2419I20.7Very low25.2Very low152 Ų152156.6 Ų156.678%0.77975%0.752SS**  trans47.7102.7136-52.1172000119.3
2420V20.7Very low24.8Very low118 Ų118160.3 Ų160.372%0.71577%0.769SS**  trans22.2106.1130.6-1710000117.5K2422V2420-K2422 HydrophobicContact CG1-CG 4.1Å
2421H23.1Very low24.4Very low194 Ų194164.1 Ų164.190%0.89878%0.778SS**  trans-95.6121.4145.8-123.2-79.4000110.2
2422K21.1Very low24.2Very low162 Ų162167 Ų16770%0.70479%0.793SS**  trans-71.8163.2175-65.8-179.5177.5175.20111.2V2420V2420-K2422 HydrophobicContact CG1-CG 4.1Å
2423N23.7Very low23.8Very low129 Ų129165.6 Ų165.669%0.6979%0.788SS**  trans92124.3146.5-69.3-12.9000120.7
2424Y21.7Very low23.8Very low208 Ų208167.5 Ų167.582%0.81680%0.798SS**  trans48.198.6135.6-68-115.1000118.3
2425K26.4Very low23.5Very low201 Ų201164.6 Ų164.687%0.87479%0.791SS**  -171.493.1117.3-101.2160.2-176.4178.70113.9
2426Q26.8Very low23.8Very low192 Ų192160.3 Ų160.390%0.89779%0.79SS**  trans55.30149.9-155.7-154.263.300119R997 K1001R997-Q2426 PolarHBondContact NH1-OXT 2.92Å; R997-Q2426 PolarHBondContact NH2-O 2.81Å; R997-Q2426 PolarHBondContact NH2-OXT 3.37Å; K1001-Q2426 WeakPolarHBondContact CE-O 3.29Å; K1001-Q2426 PolarHBondContact NZ-O 2.99Å

Retrieved 2,426 of 2,426 residues in 420.5 ms (Link to these results)

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