A0A3Q0KLA8_SCHMA Loading...

Putative ras GTP exchange factor

AlphaFold DB (A0A5K4ELB3), UniProt , Accession A0A3Q0KLA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,446 aa.

>A0A3Q0KLA8_SCHMA|A0A3Q0KLA8
MQKSIRANEHQLYYLVNKARENGLAKLSGNLWKRSLDTGKWQLRYFILYQNLLFYFDGERTERPSGVIFLESSYCEPNVNLKSGRDDKTSGQQGNYFTISYRKEGVRQYDLRADTEEECSMWVDAINGASFSKLLELKQEAEQKQLHLSQILETEQRAKWHYVKQIEELTAEIKQLKYEFNEYRIDRRFNLELESESEELRKIKKVQSFFRGWLCRRRWKQIVEEYIRSDHAESMRRRNSIVFGLVECEDEYVQQLSILVTCYLRPFRMAASSKKPIVSHEDVNSIFLNAEAVLFLHQVFVQGLRNKMENWPTLQLGDLFDLLLPMLGIYQEYVRNHHYSLQVLAEYKQRPEFTHMLKRLEEKPLCEGRSIESFLTYPMHQSKFDNAKSIQCSVLSLSVNNVCKQLYFCHIILGNTFQHSCSSIPRYIITLHELLAHTPYDHVDRKKLEFATSKLEQISHIMHDEVSETENIRKNLAIERMIVDGCDLLLDVNQVFVRQGTLIQVICDKLRSSRSRLGNFGSSYRERKEAVRQVFLFTNHLLITARTNNGKLRLVKNCGKISLVECTLVEDTTAELFNMDDEDQLNVTNEQKCQQDNTSQMTKNNTVQLLSTTPLNVNTNVELNTRNSISVSTLGTNSTTNTTTTSSNISMTTHELGQQLPQNLNKRFICPDSTPNRYTYVNKSNQMDSISKSTTITGTVQQQSIPYLSTQHRHSTSLCIGTNINNNENDLHDSVTNCSIIPISSTDIYSTSISTIDEARAVSVTTVTTMTTANIITTTTMTSTMNSTNTSSSSILNGRNNSNVSYSTITSPTITTIITPDINIMNSSSVLPSSSCIQPTSLLSFSMLHRFSSNMGLFNSINNNNNNNNNTCNNDKTDYGNLDFRLIWEPKNGQPTSIWLVASTLQEKAAWCSDISQCIEQLHYGDILNSAQSDVSSVAMPQSIRSDPKLFKDDVDIKFSHTLNSCKVPQIRYATVSRLLDRLTDARFLSIDFLNTFLLTYRVFTTGLSVIWALNQVLANPDVENGGNTPHSNQNQSFTYSHFENSEQRDRLYTARPSEVSLTINRLPVLEESAHSITDDISSSLNSISQTEGRLETNNSSMINSISNELMTTLSLNKEDSSINTETPLNSFILPTTMNCTNNNVSMKLPKKLIPRPLSTSETVKYCSPSITSNQDYNTPNVMSQSVINESHSLSSSPLSYNKQSNKQIMSRSFQSSTIVTIPIQTTSTTMLIPRSPVYSKFVDLRDDPPLELPILPDLKTTEKKQKQTEFKQKVDNVTSPNSTDQKESMNTIKEHTRLAPLASCEVVPDESETTSLKQELFNNKQISVSTGNNVNNTNHNDNKYEPDPSENNSVNPNLHSITCNHLDNRLNQSKSLLNQENQPKPDHVVMTKQEGIKTSERYKHNLSEDISKSDVVISISCENQPTEHFKYPPTEEIVAKDVTKTNEKSFDRLTKLTSQQQSNFLHWPSNNLIHSSSNNNNHNSHYSKLSKSPSSLHYSNDNNRLLESYLNQTIGSSLLSTEINTDRIQSRRSFDKIPEDNIQQQVPLESQKQSNDTTELHHNSTSNIQTCNKQSTVILKSSSLSINNNNNTTKYYPVADSLDLATRLTVLKKSPKSFTACQSLAKHTMIAALNCSGAFAHLKTTPITTTQYQTQQLSNDNNTTQLKYLDNDIEYKNIIIRSSPSSPKKYSTEICSDIKNAKQCVNIRGASEERENTDMDSFKTVKNVSTKSAGVLEASTNAKQSIQSQYKQAGIVNLNQTTNEPRQTIRKIKGKEIDHSDENKPSLETINSLSSSNIQRISDIMLRDRNDSLIPQHLGIIDCARGSVVSWSGVSNVSKPKRPSVFSCPEAEIESPRSSVVNPSLGELASNKRTRPGAVVTSSRRSKRRSSNTAAAQAFAVATAGSANPLAAVGIMGLGPNLFRSSGYRFSAGTATSVASQTGLRLGPTPHSNPSIGNITNNSSSSIINSGSNSSSNIISPVFINRSQVQNTSGYTYPLSPGISNKVMSPTTMGTNGTVVATTLMTSSMVSTTPTSNTTFRLNLNRSGLNIITTSTPGTITNTNSTSNNNTFNFHPYNLTSPTLIQSSCLGVGTNTGHCTNQAKRNTMLATASCLRVLNVVRHWITKFPDDFESDPVLKREMLTLLDTLITCPHLMPNDQKVVNQLLLQMISDQLVQDRIDLDSILTPRQIPSEKNFDQLSALDISEQLTFLDFQIFRSIRSEELLNQSWMKLDKEEKAKHVLLVCKRFNEVSRLVVSEIISRTDLNDRVMCIDKWVAIADICRCMQNYNGVLQICSALVNSSVYRLKRTWERVSKQTKQSIDRLQMLVASDGRFKSMREALHRCDPPCIPYLGMYLTDLSFIEEGALNITENNLVNFCKMRMIAHVIREVQQYHQTPYLITHRQEVTDYLLDPSRLLDEEQTYQASLTIEPRQSINRQSLSGFT
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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
1M29.6Very low52.1Low210 Ų210108.9 Ų108.9100%1.03452%0.524SS*.  080.80-81.3167.1146.400109.1
2Q32.8Very low54.2Low85 Ų85103.3 Ų103.340%0.39750%0.499SS..  trans-134.659.6158.6-86.6-173.9-1000106.6Y101 V106Q2-Y101 PolarHBondContact NE2-OH 3.45Å; Q2-V106 VanDerWaalsContact CD-CG1 3.45Å; Q2-V106 HydrophobicContact CG-CG1 4.04Å
3K34.6Very low56.2Low194 Ų194100.9 Ų100.984%0.84348%0.482SS*.SBendtrans-84.4127152.6-75-165.3172.4-1680105.2I5K3-I5 PolarHBondContact O-N 2.93Å
4S40Very low58.1Low54 Ų54103.9 Ų103.938%0.37849%0.488SS..  trans7.5106163.8420000116.3R6 D1348S4-R6 PolarHBondContact O-N 2.95Å; S4-D1348 VanDerWaalsContact CB-OD1 3.26Å; S4-D1348 WeakPolarHBondContact CB-OD1 3.5Å; S4-D1348 WeakPolarHBondContact CB-OD2 2.83Å; S4-D1348 VanDerWaalsContact OG-CG 3.25Å; S4-D1348 PolarHBondContact OG-OD1 2.76Å; S4-D1348 PolarHBondContact OG-OD2 2.85Å
5I47.2Very low59.6Low125 Ų125100.3 Ų100.364%0.64147%0.473SS*.  trans-64.1106.8155.9-61.5175.5000105.6K3 A7 F69K3-I5 PolarHBondContact O-N 2.93Å; I5-A7 HydrophobicContact CG2-CB 4.27Å; I5-A7 PolarHBondContact O-N 2.99Å; I5-F69 HydrophobicContact CD1-CB 4.3Å; I5-F69 HydrophobicContact CD1-CG 4.35Å
6R48.1Very low61Low156 Ų15694.1 Ų94.159%0.58944%0.444SS*.  trans-7364172.1-71.3-170.4176.6-150.30.5110.3S4 P1349 S1350S4-R6 PolarHBondContact O-N 2.95Å; R6-P1349 PolarHBondContact NH1-O 3.1Å; R6-S1350 PolarHBondContact NH1-O 3.48Å
7A56.2Low62.2Low38 Ų3891.8 Ų91.831%0.31444%0.435SS..  trans-70.4136.1163.200000108.4I5 E9 L12I5-A7 HydrophobicContact CG2-CB 4.27Å; I5-A7 PolarHBondContact O-N 2.99Å; A7-E9 PolarHBondContact O-N 3.35Å; A7-L12 HydrophobicContact CB-CD1 3.94Å
8N63.2Low63.2Low11 Ų1190.6 Ų90.66%0.05943%0.428CS..  trans-60.2133.2171.5157.77.8000109.4H10 Q11 L12 E1351 N1352N8-H10 PolarHBondContact O-N 3.16Å; N8-H10 WeakPolarHBondContact OD1-CA 3.38Å; N8-H10 VanDerWaalsContact OD1-CB 3.25Å; N8-H10 WeakPolarHBondContact OD1-CB 3.39Å; N8-H10 PolarHBondContact OD1-N 2.78Å; N8-H10 PolarHBondContact OD1-ND1 2.86Å; N8-Q11 HydrophobicContact CB-CB 4.09Å; N8-Q11 HydrophobicContact CB-CG 3.89Å; N8-Q11 WeakPolarHBondContact O-CA 3.24Å; N8-Q11 WeakPolarHBondContact O-CB 3.21Å; N8-Q11 PolarHBondContact O-N 3.32Å; N8-L12 PolarHBondContact O-N 2.89Å; N8-E1351 WeakPolarHBondContact CA-OE1 3.25Å; N8-E1351 HydrophobicContact CB-CG 4.07Å; N8-E1351 PolarHBondContact OD1-OE2 3.07Å; N8-N1352 WeakPolarHBondContact CB-OD1 3.27Å; N8-N1352 PolarHBondContact ND2-OD1 3.38Å; N8-N1352 PolarHBondContact OD1-ND2 3.48Å; N8-N1352 PolarHBondContact OD1-OD1 2.99Å
9E71.9Confident63.9Low90 Ų9086.1 Ų86.142%0.42141%0.407SS..Hα-helixtrans-54.2-36.3-179.7-169.1164.2-8300113A7 L12 Y13 R63 E1351A7-E9 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 2.54Å; E9-Y13 PolarHBondContact O-N 3.23Å; E9-R63 IonicContact OE1-CZ 2.67Å; E9-R63 VanDerWaalsContact OE1-CZ 3.32Å; E9-R63 IonicContact OE1-NH1 3.71Å; E9-R63 PolarHBondContact OE1-NH1 3.01Å; E9-R63 IonicContact OE1-NH2 3.65Å; E9-R63 PolarHBondContact OE1-NH2 2.99Å; E9-R63 IonicContact OE2-CZ 2.78Å; E9-R63 IonicContact OE2-NH1 3.32Å; E9-R63 PolarHBondContact OE2-NH1 3.25Å; E9-R63 IonicContact OE2-NH2 3.85Å; E9-E1351 PolarHBondContact N-OE1 3.43Å
10H74.3Confident64.7Low129 Ų12986.1 Ų86.160%0.59740%0.403SS*.Hα-helixtrans-69.7-35.6173.1-62.368.4000113.1N8 L12 Y14N8-H10 PolarHBondContact O-N 3.16Å; N8-H10 WeakPolarHBondContact OD1-CA 3.38Å; N8-H10 VanDerWaalsContact OD1-CB 3.25Å; N8-H10 WeakPolarHBondContact OD1-CB 3.39Å; N8-H10 PolarHBondContact OD1-N 2.78Å; N8-H10 PolarHBondContact OD1-ND1 2.86Å; H10-L12 VanDerWaalsContact C-N 3.31Å; H10-Y14 VanDerWaalsContact O-CB 3.3Å; H10-Y14 WeakPolarHBondContact O-CB 3.33Å; H10-Y14 PolarHBondContact O-N 3.38Å
11Q75.7Confident64.9Low106 Ų10688.5 Ų88.550%0.49541%0.414SS..Hα-helixtrans-68-37173.4-72.6172-8.400110.6N8 Y14 L15N8-Q11 HydrophobicContact CB-CB 4.09Å; N8-Q11 HydrophobicContact CB-CG 3.89Å; N8-Q11 WeakPolarHBondContact O-CA 3.24Å; N8-Q11 WeakPolarHBondContact O-CB 3.21Å; N8-Q11 PolarHBondContact O-N 3.32Å; Q11-Y14 PolarHBondContact O-N 2.67Å; Q11-L15 WeakPolarHBondContact O-CG 3.22Å; Q11-L15 PolarHBondContact O-N 2.87Å
12L76.2Confident66Low42 Ų4282.4 Ų82.422%0.2239%0.386CS..Hα-helixtrans-69.1-40.8177.3-155.2118.1000111.3A7 N8 E9 H10 L15 V16 F54 P64 V67A7-L12 HydrophobicContact CB-CD1 3.94Å; N8-L12 PolarHBondContact O-N 2.89Å; E9-L12 PolarHBondContact O-N 2.54Å; H10-L12 VanDerWaalsContact C-N 3.31Å; L12-L15 PolarHBondContact O-N 2.67Å; L12-V16 WeakPolarHBondContact O-CG2 3.25Å; L12-V16 PolarHBondContact O-N 3.34Å; L12-F54 HydrophobicContact CG-CE1 4.42Å; L12-P64 HydrophobicContact CD2-CG 3.42Å; L12-P64 VanDerWaalsContact CD2-CG 3.42Å; L12-V67 HydrophobicContact CD1-CG1 4.23Å
13Y81.2Confident67.2Low72 Ų7282.7 Ų82.728%0.28241%0.412SS..Hα-helixtrans-63.9-42.5170.9-134.1-82.3000111.9E9 L15 V16 N17 E62 R63E9-Y13 PolarHBondContact O-N 3.23Å; Y13-L15 PolarHBondContact O-N 2.73Å; Y13-V16 PolarHBondContact O-N 2.67Å; Y13-N17 WeakPolarHBondContact O-CB 3.14Å; Y13-N17 PolarHBondContact O-N 3.34Å; Y13-N17 PolarHBondContact O-OD1 2.83Å; Y13-E62 HydrophobicContact CE1-CB 4.28Å; Y13-E62 WeakPolarHBondContact OH-CB 3.23Å; Y13-E62 PolarHBondContact OH-OE2 3.02Å; Y13-R63 HydrophobicContact CE2-CB 4.26Å
14Y82.5Confident68.1Low142 Ų14278.8 Ų78.856%0.55740%0.399SS*.Hα-helixtrans-60.9-42.5175.7173.8-100.9000112.2H10 Q11 N17 K18H10-Y14 VanDerWaalsContact O-CB 3.3Å; H10-Y14 WeakPolarHBondContact O-CB 3.33Å; H10-Y14 PolarHBondContact O-N 3.38Å; Q11-Y14 PolarHBondContact O-N 2.67Å; Y14-N17 PolarHBondContact O-N 2.87Å; Y14-K18 HydrophobicContact CE1-CD 4.15Å; Y14-K18 VanDerWaalsContact O-CB 3.24Å; Y14-K18 WeakPolarHBondContact O-CB 3.42Å; Y14-K18 PolarHBondContact O-N 2.85Å
15L80.7Confident69Low51 Ų5177.4 Ų77.427%0.26739%0.391SS..Hα-helixtrans-66.1-39175.4-72.4169.8000112.1Q11 L12 Y13 A19 L52 F54Q11-L15 WeakPolarHBondContact O-CG 3.22Å; Q11-L15 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 2.67Å; Y13-L15 PolarHBondContact O-N 2.73Å; L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.19Å; L15-L52 HydrophobicContact CD1-CD1 4.28Å; L15-F54 HydrophobicContact CB-CZ 3.96Å
16V81.9Confident69.9Low1 Ų177.1 Ų77.11%0.00639%0.385CS..Hα-helixtrans-64.4-46.7173.8161.90000111.9L12 Y13 A19 R20 F54 F56 P64L12-V16 WeakPolarHBondContact O-CG2 3.25Å; L12-V16 PolarHBondContact O-N 3.34Å; Y13-V16 PolarHBondContact O-N 2.67Å; V16-A19 CarbonylContact O-C 3.54Å; V16-A19 PolarHBondContact O-N 3.47Å; V16-R20 WeakPolarHBondContact O-CG 3.47Å; V16-R20 PolarHBondContact O-N 3.2Å; V16-F54 HydrophobicContact CG2-CD1 3.58Å; V16-F54 HydrophobicContact CG2-CE1 3.8Å; V16-F54 HydrophobicContact CG2-CG 4.05Å; V16-F54 HydrophobicContact CG2-CZ 4.43Å; V16-F56 HydrophobicContact CB-CZ 4.47Å; V16-F56 HydrophobicContact CG1-CE1 3.83Å; V16-F56 HydrophobicContact CG1-CZ 3.69Å; V16-F56 HydrophobicContact CG2-CE1 4.32Å; V16-F56 HydrophobicContact CG2-CZ 3.92Å; V16-P64 HydrophobicContact CG2-CB 4.21Å; V16-P64 HydrophobicContact CG2-CG 3.84Å
17N81.2Confident71.5Confident55 Ų5571.2 Ų71.229%0.29437%0.365SS..Hα-helixtrans-61.8-46.8177.3-74.511.6000110.4Y13 Y14 A19 R20 E21Y13-N17 WeakPolarHBondContact O-CB 3.14Å; Y13-N17 PolarHBondContact O-N 3.34Å; Y13-N17 PolarHBondContact O-OD1 2.83Å; Y14-N17 PolarHBondContact O-N 2.87Å; N17-A19 PolarHBondContact O-N 3.45Å; N17-R20 CarbonylContact O-C 3.56Å; N17-R20 WeakPolarHBondContact O-CA 3.26Å; N17-R20 PolarHBondContact O-N 3.09Å; N17-E21 WeakPolarHBondContact O-CB 3.33Å; N17-E21 VanDerWaalsContact O-CG 3.26Å; N17-E21 WeakPolarHBondContact O-CG 3.5Å; N17-E21 PolarHBondContact O-N 3.46Å
18K80.3Confident73Confident70 Ų7072.1 Ų72.130%0.30437%0.369SS..Hα-helixtrans-59.8-32.2176.3-170.8172.3-176.9175.30113.3Y14 Y49Y14-K18 HydrophobicContact CE1-CD 4.15Å; Y14-K18 VanDerWaalsContact O-CB 3.24Å; Y14-K18 WeakPolarHBondContact O-CB 3.42Å; Y14-K18 PolarHBondContact O-N 2.85Å; K18-Y49 WeakPolarHBondContact CE-OH 3.33Å
19A77.2Confident74.1Confident4 Ų472.4 Ų72.43%0.03338%0.375CS..Hα-helixtrans-80-10.6174.100000114.4L15 V16 N17 I47 Y49L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.19Å; V16-A19 CarbonylContact O-C 3.54Å; V16-A19 PolarHBondContact O-N 3.47Å; N17-A19 PolarHBondContact O-N 3.45Å; A19-I47 HydrophobicContact CB-CG2 4.02Å; A19-Y49 HydrophobicContact CB-CD2 3.78Å; A19-Y49 HydrophobicContact CB-CG 3.91Å
20R78.6Confident74.8Confident87 Ų8771.7 Ų71.733%0.32837%0.374SS..Hα-helixtrans-103.5-36.6174.8-72.8179.5176.8-149.1-0.4113.4V16 N17 N22 I47 T61V16-R20 WeakPolarHBondContact O-CG 3.47Å; V16-R20 PolarHBondContact O-N 3.2Å; N17-R20 CarbonylContact O-C 3.56Å; N17-R20 WeakPolarHBondContact O-CA 3.26Å; N17-R20 PolarHBondContact O-N 3.09Å; R20-N22 VanDerWaalsContact C-N 3.26Å; R20-N22 PolarHBondContact O-N 2.81Å; R20-I47 HydrophobicContact CG-CD1 3.74Å; R20-T61 PolarHBondContact NH2-O 3.47Å
21E70.4Confident75.5Confident137 Ų13765.6 Ų65.664%0.6435%0.346SS*.SBendtrans-71.7-15.9-174.9-74.2168.1177.500113.8N17N17-E21 WeakPolarHBondContact O-CB 3.33Å; N17-E21 VanDerWaalsContact O-CG 3.26Å; N17-E21 WeakPolarHBondContact O-CG 3.5Å; N17-E21 PolarHBondContact O-N 3.46Å
22N51.8Low76Confident82 Ų8264.5 Ų64.544%0.43934%0.337SS..SBendtrans-136.7148-174.4-63.9-90.7000111R20 L24R20-N22 VanDerWaalsContact C-N 3.26Å; R20-N22 PolarHBondContact O-N 2.81Å; N22-L24 HydrophobicContact CB-CB 4.14Å; N22-L24 HydrophobicContact CB-CD1 3.8Å; N22-L24 HydrophobicContact CB-CG 3.88Å; N22-L24 PolarHBondContact O-N 3.19Å
23G58.7Low76.6Confident91 Ų9163.6 Ų63.694%0.93833%0.332SS*.THydrogen-bonded Turntrans-6936.8167.300000114.3
24L53.5Low76.8Confident112 Ų11265.1 Ų65.159%0.58634%0.337SS*.THydrogen-bonded Turntrans-100.3-10.2177.7-68.8171000112.3N22 K26 Y49N22-L24 HydrophobicContact CB-CB 4.14Å; N22-L24 HydrophobicContact CB-CD1 3.8Å; N22-L24 HydrophobicContact CB-CG 3.88Å; N22-L24 PolarHBondContact O-N 3.19Å; L24-K26 PolarHBondContact O-N 3.3Å; L24-Y49 HydrophobicContact CB-CE2 4.3Å
25A59Low76.6Confident25 Ų2559 Ų5921%0.20732%0.315CS..  trans-63.912616400000109.1L27 I47 L48A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.55Å; A25-I47 HydrophobicContact CB-CG2 3.71Å; A25-L48 CarbonylContact C-O 3.56Å; A25-L48 WeakPolarHBondContact CA-O 3.37Å
26K64.7Low75.8Confident118 Ų11861.7 Ų61.751%0.51333%0.329SS..SBendtrans-73.6-28-173.6-164.1-177.2-178.9-165.60112L24 L48 G128L24-K26 PolarHBondContact O-N 3.3Å; K26-L48 HydrophobicContact CB-CD2 4.28Å; K26-L48 HydrophobicContact CB-CG 4.38Å; K26-L48 HydrophobicContact CD-CD2 4.42Å; K26-L48 PolarHBondContact N-O 3.12Å; K26-G128 PolarHBondContact NZ-O 2.93Å
27L83.2Confident75.2Confident32 Ų3268.6 Ų68.617%0.16837%0.366CS..EExtended strand (participates in β ladder)trans-160.1146.3171.4-169.156.4000109.1A25 L48 M121 W122 A125A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.55Å; L27-L48 PolarHBondContact O-N 3.13Å; L27-M121 HydrophobicContact CD1-CE 4.14Å; L27-M121 HydrophobicContact CD2-CB 4.35Å; L27-W122 HydrophobicContact CB-CH2 4.42Å; L27-W122 HydrophobicContact CB-CZ3 4.34Å; L27-W122 HydrophobicContact CD2-CB 4.32Å; L27-W122 HydrophobicContact CD2-CD2 3.41Å; L27-W122 VanDerWaalsContact CD2-CD2 3.41Å; L27-W122 HydrophobicContact CD2-CE3 3.72Å; L27-W122 HydrophobicContact CD2-CG 3.69Å; L27-W122 HydrophobicContact CD2-CZ2 4.26Å; L27-W122 HydrophobicContact CD2-CZ3 4.25Å; L27-W122 HydrophobicContact CG-CD2 4.05Å; L27-W122 HydrophobicContact CG-CE3 4.22Å; L27-W122 HydrophobicContact CG-CH2 4.13Å; L27-W122 HydrophobicContact CG-CZ2 3.96Å; L27-W122 HydrophobicContact CG-CZ3 4.26Å; L27-A125 HydrophobicContact CB-CB 4.25Å; L27-A125 HydrophobicContact CD2-CB 3.88Å
28S87.4Confident74.8Confident57 Ų5770 Ų7040%0.39938%0.377SS..EExtended strand (participates in β ladder)trans-151.1150.3172.9610000110.7Y45 F46S28-Y45 PolarHBondContact OG-OH 3.42Å; S28-F46 VanDerWaalsContact CA-O 3.23Å; S28-F46 WeakPolarHBondContact CA-O 3.34Å; S28-F46 WeakPolarHBondContact CB-O 3.34Å
29G86.5Confident74.5Confident18 Ų1868.4 Ų68.419%0.18638%0.38CS..EExtended strand (participates in β ladder)trans163.5176.9-174.600000113.1F46G29-F46 PolarHBondContact N-O 2.88Å; G29-F46 PolarHBondContact O-N 3.42Å
30N86.7Confident74.6Confident75 Ų7575.3 Ų75.340%0.40141%0.409SS..EExtended strand (participates in β ladder)trans-82.5139.2175-69.4-63.5000111L43 R44N30-L43 HydrophobicContact CB-CD1 3.96Å; N30-L43 HydrophobicContact CB-CG 4.46Å; N30-R44 WeakPolarHBondContact CA-O 3.4Å
31L88.1Confident74.8Confident1 Ų174.9 Ų74.91%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-138.7148.4169.5-69171.3000109.9K33 R44 F46 F97 L111 R112 A113 W122L31-K33 PolarHBondContact O-N 2.84Å; L31-R44 PolarHBondContact N-O 2.83Å; L31-R44 PolarHBondContact O-N 2.96Å; L31-F46 HydrophobicContact CB-CD2 3.66Å; L31-F46 HydrophobicContact CB-CE2 3.72Å; L31-F46 HydrophobicContact CD1-CB 4.44Å; L31-F46 HydrophobicContact CD1-CD2 4.09Å; L31-F46 HydrophobicContact CD1-CE2 4.45Å; L31-F46 HydrophobicContact CD1-CG 4.17Å; L31-F46 HydrophobicContact CG-CD2 4.24Å; L31-F97 HydrophobicContact CD1-CE1 4.43Å; L31-F97 HydrophobicContact CD1-CZ 3.77Å; L31-F97 HydrophobicContact CD2-CE1 4.08Å; L31-F97 HydrophobicContact CD2-CZ 4.25Å; L31-L111 HydrophobicContact CD1-CD1 4.41Å; L31-R112 WeakPolarHBondContact CD2-O 3.16Å; L31-A113 HydrophobicContact CD2-CB 3.84Å; L31-W122 HydrophobicContact CD1-CD2 3.75Å; L31-W122 HydrophobicContact CD1-CE3 4.1Å; L31-W122 HydrophobicContact CD1-CG 4.11Å; L31-W122 HydrophobicContact CD1-CH2 4.45Å; L31-W122 HydrophobicContact CD1-CZ2 4.1Å; L31-W122 HydrophobicContact CD1-CZ3 4.44Å; L31-W122 HydrophobicContact CD2-CG 4.29Å; L31-W122 HydrophobicContact CG-CD2 4.45Å; L31-W122 HydrophobicContact CG-CZ2 4.36Å
32W87.1Confident75.5Confident82 Ų8272.1 Ų72.131%0.31139%0.394SS..EExtended strand (participates in β ladder)trans-79.7118.6169.5-61.589.2000109.1W41 L43 L111 R112 D114W32-W41 HydrophobicContact CB-CE3 3.87Å; W32-W41 HydrophobicContact CE3-CB 4.11Å; W32-W41 WeakPolarHBondContact O-CZ3 3.43Å; W32-L43 HydrophobicContact CD2-CB 4.28Å; W32-L43 HydrophobicContact CD2-CD1 3.95Å; W32-L43 HydrophobicContact CE3-CB 3.96Å; W32-L43 HydrophobicContact CE3-CD1 4.49Å; W32-L43 HydrophobicContact CG-CD1 4.19Å; W32-L43 HydrophobicContact CH2-CB 4.19Å; W32-L43 HydrophobicContact CZ2-CB 4.48Å; W32-L43 HydrophobicContact CZ2-CD1 4.2Å; W32-L43 HydrophobicContact CZ3-CB 3.92Å; W32-L111 CarbonylContact O-C 3.59Å; W32-L111 WeakPolarHBondContact O-CA 3.48Å; W32-R112 HydrophobicContact CB-CB 4.05Å; W32-R112 HydrophobicContact CB-CG 4.38Å; W32-R112 PolarHBondContact N-O 3.02Å; W32-R112 PolarHBondContact O-N 2.56Å; W32-D114 PolarHBondContact NE1-OD1 2.69Å
33K87.4Confident77.3Confident23 Ų2371.9 Ų71.910%0.139%0.393CS..EExtended strand (participates in β ladder)trans-100.1135.1172.7-171.9-175.3-179.8-178.80110.2L31 Q42 F46 Y55 L111L31-K33 PolarHBondContact O-N 2.84Å; K33-Q42 PolarHBondContact N-O 2.76Å; K33-Q42 PolarHBondContact O-N 3.18Å; K33-F46 HydrophobicContact CB-CE2 4.37Å; K33-F46 HydrophobicContact CB-CZ 4.08Å; K33-F46 HydrophobicContact CD-CZ 4.25Å; K33-F46 HydrophobicContact CG-CZ 4.36Å; K33-Y55 PolarHBondContact NZ-OH 2.85Å; K33-L111 HydrophobicContact CB-CD2 3.97Å; K33-L111 HydrophobicContact CG-CD2 3.93Å
34R85Confident78.7Confident105 Ų10568.9 Ų68.940%0.39635%0.353SS..EExtended strand (participates in β ladder)trans-77.7127.9171.1-154.5176.1-177.7-168.70110.7G39 W41 D110R34-G39 WeakPolarHBondContact CG-O 3.37Å; R34-G39 PolarHBondContact NE-O 3.36Å; R34-W41 HydrophobicContact CB-CD2 4.33Å; R34-W41 HydrophobicContact CB-CE3 3.98Å; R34-W41 HydrophobicContact CB-CH2 4Å; R34-W41 HydrophobicContact CB-CZ2 4.32Å; R34-W41 HydrophobicContact CB-CZ3 3.82Å; R34-W41 HydrophobicContact CG-CD2 4.39Å; R34-W41 HydrophobicContact CG-CH2 4.44Å; R34-W41 HydrophobicContact CG-CZ2 4.27Å; R34-D110 HydrophobicContact CB-CB 3.87Å; R34-D110 WeakPolarHBondContact CD-OD2 3.4Å; R34-D110 IonicContact CZ-OD2 2.76Å; R34-D110 PolarHBondContact N-O 3.26Å; R34-D110 VanDerWaalsContact N-O 3.09Å; R34-D110 IonicContact NH1-OD2 2.68Å; R34-D110 PolarHBondContact NH1-OD2 3.4Å
35S78.1Confident80.4Confident13 Ų1365.2 Ų65.29%0.09133%0.332CS..PPolyproline II helixtrans-71.8127.6167.5161.60000109D37 T38 G39 K40S35-D37 VanDerWaalsContact C-N 3.26Å; S35-D37 PolarHBondContact O-N 3.38Å; S35-D37 PolarHBondContact OG-N 3.09Å; S35-D37 PolarHBondContact OG-OD2 3.16Å; S35-T38 WeakPolarHBondContact CB-OG1 3.43Å; S35-T38 PolarHBondContact OG-N 3.48Å; S35-T38 VanDerWaalsContact OG-N 3.1Å; S35-T38 PolarHBondContact OG-OG1 2.78Å; S35-G39 WeakPolarHBondContact O-CA 3.24Å; S35-G39 PolarHBondContact O-N 2.89Å; S35-K40 PolarHBondContact N-O 2.89Å
36L65.8Low81.9Confident108 Ų10864 Ų6457%0.56532%0.322SS*.THydrogen-bonded Turntrans-66.5-32.5175.9-72165.5000111.5
37D67.9Low83.1Confident145 Ų14558.7 Ų58.778%0.77530%0.299SS*.THydrogen-bonded Turntrans-88.8-27.3-168-22.8-88.3000112.2S35S35-D37 VanDerWaalsContact C-N 3.26Å; S35-D37 PolarHBondContact O-N 3.38Å; S35-D37 PolarHBondContact OG-N 3.09Å; S35-D37 PolarHBondContact OG-OD2 3.16Å
38T73.3Confident83.4Confident85 Ų8557.1 Ų57.152%0.52129%0.291SS..THydrogen-bonded Turntrans-119.5-8.5-178.566.60000114S35 K40S35-T38 WeakPolarHBondContact CB-OG1 3.43Å; S35-T38 PolarHBondContact OG-N 3.48Å; S35-T38 VanDerWaalsContact OG-N 3.1Å; S35-T38 PolarHBondContact OG-OG1 2.78Å; T38-K40 PolarHBondContact O-N 2.9Å
39G73.5Confident83.3Confident36 Ų3655.3 Ų55.337%0.37128%0.276SS..  trans68.5-11-174.800000115.5R34 S35R34-G39 WeakPolarHBondContact CG-O 3.37Å; R34-G39 PolarHBondContact NE-O 3.36Å; S35-G39 WeakPolarHBondContact O-CA 3.24Å; S35-G39 PolarHBondContact O-N 2.89Å
40K80.2Confident83.1Confident150 Ų15059.9 Ų59.965%0.65229%0.292SS*.  trans-74.9148.8-175.7-65.2-178.9-179.8-1780112S35 T38S35-K40 PolarHBondContact N-O 2.89Å; T38-K40 PolarHBondContact O-N 2.9Å
41W82.2Confident83Confident78 Ų7857.5 Ų57.530%0.29528%0.279SS..EExtended strand (participates in β ladder)trans-79.8133.2170.1-65.499.1000110.6W32 R34 Y96 D110 R112W32-W41 HydrophobicContact CB-CE3 3.87Å; W32-W41 HydrophobicContact CE3-CB 4.11Å; W32-W41 WeakPolarHBondContact O-CZ3 3.43Å; R34-W41 HydrophobicContact CB-CD2 4.33Å; R34-W41 HydrophobicContact CB-CE3 3.98Å; R34-W41 HydrophobicContact CB-CH2 4Å; R34-W41 HydrophobicContact CB-CZ2 4.32Å; R34-W41 HydrophobicContact CB-CZ3 3.82Å; R34-W41 HydrophobicContact CG-CD2 4.39Å; R34-W41 HydrophobicContact CG-CH2 4.44Å; R34-W41 HydrophobicContact CG-CZ2 4.27Å; W41-Y96 AromaticContact CE2-CE1 3.83Å; W41-Y96 AromaticContact CH2-CD1 3.55Å; W41-Y96 HydrophobicContact CH2-CD1 3.55Å; W41-Y96 AromaticContact CH2-CE1 3.79Å; W41-Y96 HydrophobicContact CH2-CE1 3.79Å; W41-Y96 AromaticContact CZ2-CD1 3.54Å; W41-Y96 HydrophobicContact CZ2-CD1 3.54Å; W41-Y96 AromaticContact CZ2-CE1 3.35Å; W41-Y96 HydrophobicContact CZ2-CE1 3.35Å; W41-Y96 HydrophobicContact CZ3-CD1 4.45Å; W41-D110 HydrophobicContact CH2-CB 3.93Å; W41-D110 HydrophobicContact CZ3-CB 4.49Å; W41-R112 HydrophobicContact CE3-CB 4.44Å; W41-R112 HydrophobicContact CH2-CB 4.35Å; W41-R112 HydrophobicContact CZ3-CB 4.03Å
42Q85.6Confident82.9Confident78 Ų7858.9 Ų58.936%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-122.3124.4174.4-66.8-178.6-17.700108.5K33 R44K33-Q42 PolarHBondContact N-O 2.76Å; K33-Q42 PolarHBondContact O-N 3.18Å; Q42-R44 PolarHBondContact O-N 3.15Å
43L88.6Confident83Confident78 Ų7855 Ų5541%0.40827%0.272SS..EExtended strand (participates in β ladder)trans-66130.8169.7-169.665.3000108.9N30 W32N30-L43 HydrophobicContact CB-CD1 3.96Å; N30-L43 HydrophobicContact CB-CG 4.46Å; W32-L43 HydrophobicContact CD2-CB 4.28Å; W32-L43 HydrophobicContact CD2-CD1 3.95Å; W32-L43 HydrophobicContact CE3-CB 3.96Å; W32-L43 HydrophobicContact CE3-CD1 4.49Å; W32-L43 HydrophobicContact CG-CD1 4.19Å; W32-L43 HydrophobicContact CH2-CB 4.19Å; W32-L43 HydrophobicContact CZ2-CB 4.48Å; W32-L43 HydrophobicContact CZ2-CD1 4.2Å; W32-L43 HydrophobicContact CZ3-CB 3.92Å
44R88.6Confident83.1Confident28 Ų2853.9 Ų53.911%0.10627%0.267CS..EExtended strand (participates in β ladder)trans-141.3146.6180-72.4-179.9173.5-75.7-13109.2N30 L31 Q42 F46 F56 D57 S65N30-R44 WeakPolarHBondContact CA-O 3.4Å; L31-R44 PolarHBondContact N-O 2.83Å; L31-R44 PolarHBondContact O-N 2.96Å; Q42-R44 PolarHBondContact O-N 3.15Å; R44-F46 HydrophobicContact CB-CD2 4.24Å; R44-F46 HydrophobicContact CB-CE2 3.72Å; R44-F46 WeakPolarHBondContact O-CD2 3.25Å; R44-F56 WeakPolarHBondContact CA-O 3.39Å; R44-F56 VanDerWaalsContact CB-O 3.25Å; R44-F56 WeakPolarHBondContact CB-O 3.3Å; R44-D57 IonicContact CZ-OD1 2.67Å; R44-D57 IonicContact NH1-OD1 3.72Å; R44-D57 PolarHBondContact NH1-OD1 2.82Å; R44-D57 IonicContact NH1-OD2 3.71Å; R44-D57 IonicContact NH2-OD1 2.76Å; R44-D57 PolarHBondContact NH2-OD1 3.39Å; R44-S65 VanDerWaalsContact NH1-CB 3.26Å; R44-S65 PolarHBondContact NH1-OG 3.44Å
45Y89.4Confident83.3Confident34 Ų3450.6 Ų50.613%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-85.8137.7172.3-170-99.4000109.4S28 I47 Y55 F56 E59S28-Y45 PolarHBondContact OG-OH 3.42Å; Y45-I47 HydrophobicContact CD1-CD1 4.44Å; Y45-I47 HydrophobicContact CD1-CG1 4.07Å; Y45-I47 HydrophobicContact CE1-CD1 3.95Å; Y45-I47 HydrophobicContact CE1-CG1 3.63Å; Y45-Y55 CarbonylContact O-C 3.42Å; Y45-Y55 VanDerWaalsContact O-CA 3.31Å; Y45-Y55 WeakPolarHBondContact O-CA 3.45Å; Y45-F56 HydrophobicContact CD1-CD2 4.18Å; Y45-F56 PolarHBondContact N-O 2.81Å; Y45-F56 VanDerWaalsContact N-O 3.13Å; Y45-F56 WeakPolarHBondContact O-CD2 3.48Å; Y45-F56 PolarHBondContact O-N 2.88Å; Y45-E59 HydrophobicContact CD2-CB 4.03Å; Y45-E59 HydrophobicContact CD2-CG 4.18Å; Y45-E59 HydrophobicContact CE2-CB 4.46Å; Y45-E59 HydrophobicContact CE2-CG 4.1Å; Y45-E59 HydrophobicContact CG-CB 4.15Å; Y45-E59 HydrophobicContact CG-CG 4.5Å
46F91.3Very high83.8Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-124.1145.3-176.8-77.6-102.5000111.5S28 G29 L31 K33 R44 L53 F54 Y55 L111 W122S28-F46 VanDerWaalsContact CA-O 3.23Å; S28-F46 WeakPolarHBondContact CA-O 3.34Å; S28-F46 WeakPolarHBondContact CB-O 3.34Å; G29-F46 PolarHBondContact N-O 2.88Å; G29-F46 PolarHBondContact O-N 3.42Å; L31-F46 HydrophobicContact CB-CD2 3.66Å; L31-F46 HydrophobicContact CB-CE2 3.72Å; L31-F46 HydrophobicContact CD1-CB 4.44Å; L31-F46 HydrophobicContact CD1-CD2 4.09Å; L31-F46 HydrophobicContact CD1-CE2 4.45Å; L31-F46 HydrophobicContact CD1-CG 4.17Å; L31-F46 HydrophobicContact CG-CD2 4.24Å; K33-F46 HydrophobicContact CB-CE2 4.37Å; K33-F46 HydrophobicContact CB-CZ 4.08Å; K33-F46 HydrophobicContact CD-CZ 4.25Å; K33-F46 HydrophobicContact CG-CZ 4.36Å; R44-F46 HydrophobicContact CB-CD2 4.24Å; R44-F46 HydrophobicContact CB-CE2 3.72Å; R44-F46 WeakPolarHBondContact O-CD2 3.25Å; F46-L53 HydrophobicContact CB-CD1 4.26Å; F46-L53 HydrophobicContact CD1-CD1 3.84Å; F46-L53 HydrophobicContact CD1-CD2 4.19Å; F46-L53 HydrophobicContact CD1-CG 3.89Å; F46-L53 HydrophobicContact CE1-CD2 4.41Å; F46-L53 HydrophobicContact CE1-CG 4.43Å; F46-F54 VanDerWaalsContact CA-O 3.3Å; F46-F54 WeakPolarHBondContact CA-O 3.3Å; F46-Y55 HydrophobicContact CE1-CD1 4.4Å; F46-Y55 HydrophobicContact CE1-CG 4.26Å; F46-Y55 HydrophobicContact CZ-CG 4.48Å; F46-L111 HydrophobicContact CE1-CD1 4.48Å; F46-L111 HydrophobicContact CE1-CD2 4.07Å; F46-L111 HydrophobicContact CE2-CD2 4.23Å; F46-L111 HydrophobicContact CZ-CD2 3.51Å; F46-W122 HydrophobicContact CB-CH2 3.69Å; F46-W122 HydrophobicContact CB-CZ2 4.24Å; F46-W122 HydrophobicContact CB-CZ3 4.32Å
47I89.4Confident84.7Confident6 Ų649.6 Ų49.63%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-134.8122.4174.6-53.6178.1000109A19 R20 A25 Y45 F54 F56A19-I47 HydrophobicContact CB-CG2 4.02Å; R20-I47 HydrophobicContact CG-CD1 3.74Å; A25-I47 HydrophobicContact CB-CG2 3.71Å; Y45-I47 HydrophobicContact CD1-CD1 4.44Å; Y45-I47 HydrophobicContact CD1-CG1 4.07Å; Y45-I47 HydrophobicContact CE1-CD1 3.95Å; Y45-I47 HydrophobicContact CE1-CG1 3.63Å; I47-F54 PolarHBondContact N-O 2.83Å; I47-F54 PolarHBondContact O-N 2.91Å; I47-F56 HydrophobicContact CB-CE2 4.37Å; I47-F56 HydrophobicContact CD1-CD2 4.46Å; I47-F56 HydrophobicContact CD1-CE2 3.61Å; I47-F56 HydrophobicContact CD1-CZ 4.09Å; I47-F56 HydrophobicContact CG1-CD2 4.46Å; I47-F56 HydrophobicContact CG1-CE2 3.82Å
48L88.3Confident85.4Confident0 Ų043.8 Ų43.80%022%0.224CC..EExtended strand (participates in β ladder)trans-96.9117.3175.4178.863.8000110.6A25 K26 L27 L53 L70 W122 A125 A129A25-L48 CarbonylContact C-O 3.56Å; A25-L48 WeakPolarHBondContact CA-O 3.37Å; K26-L48 HydrophobicContact CB-CD2 4.28Å; K26-L48 HydrophobicContact CB-CG 4.38Å; K26-L48 HydrophobicContact CD-CD2 4.42Å; K26-L48 PolarHBondContact N-O 3.12Å; L27-L48 PolarHBondContact O-N 3.13Å; L48-L53 HydrophobicContact CB-CD1 4.14Å; L48-L53 HydrophobicContact CD1-CB 4.3Å; L48-L53 HydrophobicContact CD1-CD1 4.41Å; L48-L70 HydrophobicContact CD1-CD1 3.5Å; L48-L70 VanDerWaalsContact CD1-CD1 3.5Å; L48-W122 HydrophobicContact CB-CZ3 4.24Å; L48-A125 HydrophobicContact CD2-CB 3.71Å; L48-A129 HydrophobicContact CD1-CB 4.05Å; L48-A129 HydrophobicContact CD2-CB 4.34Å
49Y85.1Confident85.7Confident19 Ų1945.3 Ų45.38%0.07523%0.225CC..EExtended strand (participates in β ladder)trans-133.9117.7178.6-178.5-87.6000109.9K18 A19 L24 N51 L52K18-Y49 WeakPolarHBondContact CE-OH 3.33Å; A19-Y49 HydrophobicContact CB-CD2 3.78Å; A19-Y49 HydrophobicContact CB-CG 3.91Å; L24-Y49 HydrophobicContact CB-CE2 4.3Å; Y49-N51 PolarHBondContact O-N 2.83Å; Y49-L52 PolarHBondContact N-O 2.87Å; Y49-L52 WeakPolarHBondContact O-CB 3.48Å; Y49-L52 PolarHBondContact O-N 2.89Å; Y49-L52 VanDerWaalsContact O-O 3.07Å
50Q83.8Confident85.8Confident113 Ų11354.7 Ų54.753%0.52825%0.249SC..THydrogen-bonded Turntrans50.9-122.9-171.1-60.3178.1-55.500111.4A129Q50-A129 WeakPolarHBondContact O-CB 3.11Å
51N85.1Confident85.8Confident26 Ų2650.1 Ų50.114%0.13923%0.234CC..THydrogen-bonded Turntrans-96.714.4175.958.80.6000113.2Y49 F69 L70 E71 F131Y49-N51 PolarHBondContact O-N 2.83Å; N51-F69 WeakPolarHBondContact ND2-CE2 3.33Å; N51-L70 WeakPolarHBondContact O-CB 3.48Å; N51-L70 PolarHBondContact O-N 3.34Å; N51-E71 HydrophobicContact CB-CG 4.4Å; N51-E71 PolarHBondContact ND2-OE1 2.91Å; N51-E71 VanDerWaalsContact ND2-OE1 3.13Å; N51-F131 HydrophobicContact CB-CD2 4.24Å; N51-F131 HydrophobicContact CB-CE2 4.2Å
52L85.9Confident85.5Confident29 Ų2952 Ų5215%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-112.2127.7178.7-67.1164.2000111L15 Y49 F54 V67 F69L15-L52 HydrophobicContact CD1-CD1 4.28Å; Y49-L52 PolarHBondContact N-O 2.87Å; Y49-L52 WeakPolarHBondContact O-CB 3.48Å; Y49-L52 PolarHBondContact O-N 2.89Å; Y49-L52 VanDerWaalsContact O-O 3.07Å; L52-F54 HydrophobicContact CB-CD2 4.4Å; L52-F54 HydrophobicContact CB-CE2 3.75Å; L52-F54 HydrophobicContact CB-CZ 4.07Å; L52-F54 HydrophobicContact CD1-CE2 4.39Å; L52-F54 HydrophobicContact CD1-CZ 4.06Å; L52-V67 HydrophobicContact CB-CG2 4.11Å; L52-V67 HydrophobicContact CD2-CG2 3.74Å; L52-F69 HydrophobicContact CD2-CD2 3.74Å; L52-F69 HydrophobicContact CG-CD2 4.46Å
53L88.8Confident85.2Confident0 Ų054.9 Ų54.90%025%0.253CS..EExtended strand (participates in β ladder)trans-112.3100.5174.817763.2000109.2F46 L48 I68 L70 I99 W122 I126F46-L53 HydrophobicContact CB-CD1 4.26Å; F46-L53 HydrophobicContact CD1-CD1 3.84Å; F46-L53 HydrophobicContact CD1-CD2 4.19Å; F46-L53 HydrophobicContact CD1-CG 3.89Å; F46-L53 HydrophobicContact CE1-CD2 4.41Å; F46-L53 HydrophobicContact CE1-CG 4.43Å; L48-L53 HydrophobicContact CB-CD1 4.14Å; L48-L53 HydrophobicContact CD1-CB 4.3Å; L48-L53 HydrophobicContact CD1-CD1 4.41Å; L53-I68 HydrophobicContact CB-CB 4.24Å; L53-I68 HydrophobicContact CD2-CD1 4.39Å; L53-I68 PolarHBondContact N-O 2.79Å; L53-I68 PolarHBondContact O-N 2.9Å; L53-L70 HydrophobicContact CB-CD1 4.1Å; L53-L70 HydrophobicContact CB-CD2 4.33Å; L53-L70 HydrophobicContact CB-CG 4.24Å; L53-L70 HydrophobicContact CD2-CD2 4.42Å; L53-I99 HydrophobicContact CD2-CD1 3.76Å; L53-W122 HydrophobicContact CD1-CH2 4.49Å; L53-W122 HydrophobicContact CD1-CZ3 3.8Å; L53-I126 HydrophobicContact CD2-CD1 4.18Å
54F88.9Confident84.9Confident1 Ų151.9 Ų51.90%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-81.1146.1178-62.1-86.3000110.6L12 L15 V16 F46 I47 L52 F56 P64 V67L12-F54 HydrophobicContact CG-CE1 4.42Å; L15-F54 HydrophobicContact CB-CZ 3.96Å; V16-F54 HydrophobicContact CG2-CD1 3.58Å; V16-F54 HydrophobicContact CG2-CE1 3.8Å; V16-F54 HydrophobicContact CG2-CG 4.05Å; V16-F54 HydrophobicContact CG2-CZ 4.43Å; F46-F54 VanDerWaalsContact CA-O 3.3Å; F46-F54 WeakPolarHBondContact CA-O 3.3Å; I47-F54 PolarHBondContact N-O 2.83Å; I47-F54 PolarHBondContact O-N 2.91Å; L52-F54 HydrophobicContact CB-CD2 4.4Å; L52-F54 HydrophobicContact CB-CE2 3.75Å; L52-F54 HydrophobicContact CB-CZ 4.07Å; L52-F54 HydrophobicContact CD1-CE2 4.39Å; L52-F54 HydrophobicContact CD1-CZ 4.06Å; F54-F56 HydrophobicContact CB-CE2 3.84Å; F54-F56 HydrophobicContact CB-CZ 4.1Å; F54-P64 HydrophobicContact CD1-CB 4.47Å; F54-V67 HydrophobicContact CD1-CB 3.87Å; F54-V67 HydrophobicContact CD1-CG2 3.66Å; F54-V67 HydrophobicContact CE1-CB 4.08Å; F54-V67 HydrophobicContact CE1-CG2 3.67Å; F54-V67 HydrophobicContact CG-CG2 4.13Å; F54-V67 HydrophobicContact CZ-CG2 4.15Å
55Y89.4Confident84.7Confident36 Ų3652.4 Ų52.414%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-135.3147.5172.967.6-96.1000112.7K33 Y45 F46 P64 S65 G66 I68K33-Y55 PolarHBondContact NZ-OH 2.85Å; Y45-Y55 CarbonylContact O-C 3.42Å; Y45-Y55 VanDerWaalsContact O-CA 3.31Å; Y45-Y55 WeakPolarHBondContact O-CA 3.45Å; F46-Y55 HydrophobicContact CE1-CD1 4.4Å; F46-Y55 HydrophobicContact CE1-CG 4.26Å; F46-Y55 HydrophobicContact CZ-CG 4.48Å; Y55-P64 CarbonylContact O-C 3.59Å; Y55-S65 WeakPolarHBondContact CE2-O 3.47Å; Y55-S65 PolarHBondContact O-N 2.91Å; Y55-S65 PolarHBondContact OH-O 3.43Å; Y55-G66 WeakPolarHBondContact CD1-O 3.29Å; Y55-G66 VanDerWaalsContact CE1-C 3.46Å; Y55-G66 VanDerWaalsContact CZ-CA 3.43Å; Y55-G66 PolarHBondContact N-O 3.41Å; Y55-G66 PolarHBondContact O-N 3.47Å; Y55-I68 HydrophobicContact CD1-CD1 4.24Å; Y55-I68 HydrophobicContact CD1-CG1 4.18Å; Y55-I68 HydrophobicContact CE1-CD1 4.4Å; Y55-I68 HydrophobicContact CE1-CG1 4.1Å
56F89.3Confident84.4Confident0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-131.6151.2-169.7-58.2-90.7000110.3V16 R44 Y45 I47 F54 G58 T61 E62 P64 S65V16-F56 HydrophobicContact CB-CZ 4.47Å; V16-F56 HydrophobicContact CG1-CE1 3.83Å; V16-F56 HydrophobicContact CG1-CZ 3.69Å; V16-F56 HydrophobicContact CG2-CE1 4.32Å; V16-F56 HydrophobicContact CG2-CZ 3.92Å; R44-F56 WeakPolarHBondContact CA-O 3.39Å; R44-F56 VanDerWaalsContact CB-O 3.25Å; R44-F56 WeakPolarHBondContact CB-O 3.3Å; Y45-F56 HydrophobicContact CD1-CD2 4.18Å; Y45-F56 PolarHBondContact N-O 2.81Å; Y45-F56 VanDerWaalsContact N-O 3.13Å; Y45-F56 WeakPolarHBondContact O-CD2 3.48Å; Y45-F56 PolarHBondContact O-N 2.88Å; I47-F56 HydrophobicContact CB-CE2 4.37Å; I47-F56 HydrophobicContact CD1-CD2 4.46Å; I47-F56 HydrophobicContact CD1-CE2 3.61Å; I47-F56 HydrophobicContact CD1-CZ 4.09Å; I47-F56 HydrophobicContact CG1-CD2 4.46Å; I47-F56 HydrophobicContact CG1-CE2 3.82Å; F54-F56 HydrophobicContact CB-CE2 3.84Å; F54-F56 HydrophobicContact CB-CZ 4.1Å; F56-G58 WeakPolarHBondContact CB-O 3.44Å; F56-G58 PolarHBondContact O-N 2.83Å; F56-T61 VanDerWaalsContact CD1-O 3.24Å; F56-T61 WeakPolarHBondContact CD1-O 3.47Å; F56-E62 WeakPolarHBondContact CE1-O 3.31Å; F56-P64 VanDerWaalsContact CD1-CA 3.48Å; F56-P64 HydrophobicContact CD1-CB 4.06Å; F56-P64 VanDerWaalsContact CE1-CA 3.5Å; F56-P64 HydrophobicContact CE1-CB 3.63Å; F56-P64 HydrophobicContact CE1-CG 4.44Å; F56-P64 HydrophobicContact CZ-CB 4.03Å; F56-S65 VanDerWaalsContact C-OG 3.3Å; F56-S65 WeakPolarHBondContact CA-OG 3.47Å
57D85Confident84.1Confident100 Ų10053.9 Ų53.954%0.53526%0.262SS..SBendtrans-72.1-18.6175.9-66.7-66.7000111.7R44 S65R44-D57 IonicContact CZ-OD1 2.67Å; R44-D57 IonicContact NH1-OD1 3.72Å; R44-D57 PolarHBondContact NH1-OD1 2.82Å; R44-D57 IonicContact NH1-OD2 3.71Å; R44-D57 IonicContact NH2-OD1 2.76Å; R44-D57 PolarHBondContact NH2-OD1 3.39Å; D57-S65 PolarHBondContact N-OG 3.02Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 3.46Å
58G81.1Confident83.9Confident23 Ų2353.7 Ų53.724%0.23726%0.261CS..SBendtrans-165165.9164.400000111.9F56 R60 T61F56-G58 WeakPolarHBondContact CB-O 3.44Å; F56-G58 PolarHBondContact O-N 2.83Å; G58-R60 PolarHBondContact O-N 2.98Å; G58-R60 VanDerWaalsContact O-N 3.16Å; G58-T61 PolarHBondContact N-OG1 3.2Å; G58-T61 PolarHBondContact O-N 3.03Å; G58-T61 VanDerWaalsContact O-N 3.09Å; G58-T61 PolarHBondContact O-OG1 3.06Å
59E79.1Confident83.8Confident117 Ų11756.9 Ų56.955%0.54728%0.275SS..THydrogen-bonded Turntrans-51.1-39.6179.9-176.6-178.4-152.100113.1Y45Y45-E59 HydrophobicContact CD2-CB 4.03Å; Y45-E59 HydrophobicContact CD2-CG 4.18Å; Y45-E59 HydrophobicContact CE2-CB 4.46Å; Y45-E59 HydrophobicContact CE2-CG 4.1Å; Y45-E59 HydrophobicContact CG-CB 4.15Å; Y45-E59 HydrophobicContact CG-CG 4.5Å
60R77.6Confident83.7Confident232 Ų23256 Ų5688%0.87527%0.272SS*.THydrogen-bonded Turntrans-83.9-9.3-177.9-61.7-173.4-176.2-171.90.7115.3G58 E62G58-R60 PolarHBondContact O-N 2.98Å; G58-R60 VanDerWaalsContact O-N 3.16Å; R60-E62 PolarHBondContact O-N 2.9Å
61T80Confident83.4Confident55 Ų5554.7 Ų54.734%0.33727%0.266SS..  trans-76.9118.1177.757.70000109.2R20 F56 G58R20-T61 PolarHBondContact NH2-O 3.47Å; F56-T61 VanDerWaalsContact CD1-O 3.24Å; F56-T61 WeakPolarHBondContact CD1-O 3.47Å; G58-T61 PolarHBondContact N-OG1 3.2Å; G58-T61 PolarHBondContact O-N 3.03Å; G58-T61 VanDerWaalsContact O-N 3.09Å; G58-T61 PolarHBondContact O-OG1 3.06Å
62E74.8Confident82.8Confident118 Ų11856 Ų5655%0.55128%0.276SS*.SBendtrans-68.4-45.3-178.9-63.7179.3-164.300112.6Y13 F56 R60Y13-E62 HydrophobicContact CE1-CB 4.28Å; Y13-E62 WeakPolarHBondContact OH-CB 3.23Å; Y13-E62 PolarHBondContact OH-OE2 3.02Å; F56-E62 WeakPolarHBondContact CE1-O 3.31Å; R60-E62 PolarHBondContact O-N 2.9Å
63R79.4Confident82.3Confident138 Ų13854.7 Ų54.752%0.52127%0.27SS..SBendtrans-70.3126.5177.4-174.4179.6178.4102.25.6110.1E9 Y13E9-R63 IonicContact OE1-CZ 2.67Å; E9-R63 VanDerWaalsContact OE1-CZ 3.32Å; E9-R63 IonicContact OE1-NH1 3.71Å; E9-R63 PolarHBondContact OE1-NH1 3.01Å; E9-R63 IonicContact OE1-NH2 3.65Å; E9-R63 PolarHBondContact OE1-NH2 2.99Å; E9-R63 IonicContact OE2-CZ 2.78Å; E9-R63 IonicContact OE2-NH1 3.32Å; E9-R63 PolarHBondContact OE2-NH1 3.25Å; E9-R63 IonicContact OE2-NH2 3.85Å; Y13-R63 HydrophobicContact CE2-CB 4.26Å
64P83Confident81.9Confident14 Ų1458.7 Ų58.79%0.09129%0.286CS..  trans-70.9138.1173.730.8-35.5000110.9L12 V16 F54 Y55 F56 G66L12-P64 HydrophobicContact CD2-CG 3.42Å; L12-P64 VanDerWaalsContact CD2-CG 3.42Å; V16-P64 HydrophobicContact CG2-CB 4.21Å; V16-P64 HydrophobicContact CG2-CG 3.84Å; F54-P64 HydrophobicContact CD1-CB 4.47Å; Y55-P64 CarbonylContact O-C 3.59Å; F56-P64 VanDerWaalsContact CD1-CA 3.48Å; F56-P64 HydrophobicContact CD1-CB 4.06Å; F56-P64 VanDerWaalsContact CE1-CA 3.5Å; F56-P64 HydrophobicContact CE1-CB 3.63Å; F56-P64 HydrophobicContact CE1-CG 4.44Å; F56-P64 HydrophobicContact CZ-CB 4.03Å; P64-G66 PolarHBondContact O-N 2.95Å
65S83.6Confident81.6Confident39 Ų3959 Ų5927%0.27329%0.287SS..SBendtrans-74.3-10.2170.9-32.20000112.1R44 Y55 F56 D57R44-S65 VanDerWaalsContact NH1-CB 3.26Å; R44-S65 PolarHBondContact NH1-OG 3.44Å; Y55-S65 WeakPolarHBondContact CE2-O 3.47Å; Y55-S65 PolarHBondContact O-N 2.91Å; Y55-S65 PolarHBondContact OH-O 3.43Å; F56-S65 VanDerWaalsContact C-OG 3.3Å; F56-S65 WeakPolarHBondContact CA-OG 3.47Å; D57-S65 PolarHBondContact N-OG 3.02Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 3.46Å
66G83Confident81.1Confident17 Ų1762.1 Ų62.118%0.17530%0.304CS..EExtended strand (participates in β ladder)trans166.3-177.2164.400000112.9Y55 P64Y55-G66 WeakPolarHBondContact CD1-O 3.29Å; Y55-G66 VanDerWaalsContact CE1-C 3.46Å; Y55-G66 VanDerWaalsContact CZ-CA 3.43Å; Y55-G66 PolarHBondContact N-O 3.41Å; Y55-G66 PolarHBondContact O-N 3.47Å; P64-G66 PolarHBondContact O-N 2.95Å
67V85.7Confident80.5Confident49 Ų4965.8 Ų65.830%0.29733%0.327SS..EExtended strand (participates in β ladder)trans-137.3144.1178.865.90000110L12 L52 F54L12-V67 HydrophobicContact CD1-CG1 4.23Å; L52-V67 HydrophobicContact CB-CG2 4.11Å; L52-V67 HydrophobicContact CD2-CG2 3.74Å; F54-V67 HydrophobicContact CD1-CB 3.87Å; F54-V67 HydrophobicContact CD1-CG2 3.66Å; F54-V67 HydrophobicContact CE1-CB 4.08Å; F54-V67 HydrophobicContact CE1-CG2 3.67Å; F54-V67 HydrophobicContact CG-CG2 4.13Å; F54-V67 HydrophobicContact CZ-CG2 4.15Å
68I85.8Confident79.6Confident1 Ų164.9 Ų64.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-114.7123.7176.2-58.2171000107.1L53 Y55 L70 Y101 Y109L53-I68 HydrophobicContact CB-CB 4.24Å; L53-I68 HydrophobicContact CD2-CD1 4.39Å; L53-I68 PolarHBondContact N-O 2.79Å; L53-I68 PolarHBondContact O-N 2.9Å; Y55-I68 HydrophobicContact CD1-CD1 4.24Å; Y55-I68 HydrophobicContact CD1-CG1 4.18Å; Y55-I68 HydrophobicContact CE1-CD1 4.4Å; Y55-I68 HydrophobicContact CE1-CG1 4.1Å; I68-L70 HydrophobicContact CG2-CD2 3.99Å; I68-Y101 WeakPolarHBondContact CG2-OH 3.3Å; I68-Y109 HydrophobicContact CD1-CD1 3.98Å; I68-Y109 HydrophobicContact CD1-CD2 3.94Å; I68-Y109 HydrophobicContact CD1-CE1 4.26Å; I68-Y109 HydrophobicContact CD1-CE2 4.23Å; I68-Y109 HydrophobicContact CD1-CG 3.81Å; I68-Y109 HydrophobicContact CG1-CD2 4.27Å; I68-Y109 HydrophobicContact CG1-CE1 4.35Å; I68-Y109 HydrophobicContact CG1-CE2 4.07Å; I68-Y109 HydrophobicContact CG2-CD2 3.92Å; I68-Y109 HydrophobicContact CG2-CE2 3.81Å
69F84.7Confident78Confident68 Ų6869.4 Ų69.430%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-90.9121.3177.1-173.3-120.8000109.5I5 N51 L52 E71 Y101I5-F69 HydrophobicContact CD1-CB 4.3Å; I5-F69 HydrophobicContact CD1-CG 4.35Å; N51-F69 WeakPolarHBondContact ND2-CE2 3.33Å; L52-F69 HydrophobicContact CD2-CD2 3.74Å; L52-F69 HydrophobicContact CG-CD2 4.46Å; F69-E71 HydrophobicContact CD1-CB 4.15Å; F69-E71 HydrophobicContact CE1-CB 3.62Å; F69-E71 HydrophobicContact CE1-CG 3.74Å; F69-E71 WeakPolarHBondContact CE1-OE2 3.37Å; F69-E71 HydrophobicContact CE2-CG 4.2Å; F69-E71 HydrophobicContact CZ-CB 3.99Å; F69-E71 HydrophobicContact CZ-CG 3.54Å; F69-E71 WeakPolarHBondContact CZ-OE2 3.24Å; F69-Y101 WeakPolarHBondContact O-CE1 3.14Å; F69-Y101 PolarHBondContact O-OH 2.86Å
70L84.3Confident76.3Confident0 Ų070 Ų700%035%0.352CS..  trans-92.2-5.8-166.1-63.4179.6000114.9L48 N51 L53 I68 S72 S73 I99 I126 A129 S130L48-L70 HydrophobicContact CD1-CD1 3.5Å; L48-L70 VanDerWaalsContact CD1-CD1 3.5Å; N51-L70 WeakPolarHBondContact O-CB 3.48Å; N51-L70 PolarHBondContact O-N 3.34Å; L53-L70 HydrophobicContact CB-CD1 4.1Å; L53-L70 HydrophobicContact CB-CD2 4.33Å; L53-L70 HydrophobicContact CB-CG 4.24Å; L53-L70 HydrophobicContact CD2-CD2 4.42Å; I68-L70 HydrophobicContact CG2-CD2 3.99Å; L70-S72 PolarHBondContact O-N 2.9Å; L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 3.22Å; L70-S73 VanDerWaalsContact O-N 3.07Å; L70-S73 PolarHBondContact O-OG 3.29Å; L70-I99 HydrophobicContact CD2-CD1 4.18Å; L70-I99 HydrophobicContact CD2-CG2 4.2Å; L70-I126 HydrophobicContact CD1-CG1 4.39Å; L70-I126 HydrophobicContact CD1-CG2 4.1Å; L70-I126 HydrophobicContact CD2-CG2 4.06Å; L70-A129 HydrophobicContact CD1-CB 3.96Å; L70-S130 WeakPolarHBondContact O-CA 3.26Å
71E76.9Confident74.5Confident86 Ų8665.4 Ų65.440%0.40234%0.344SS..THydrogen-bonded Turntrans-59.3137.1175-71.6-169.6174.800112.1N51 F69 S73N51-E71 HydrophobicContact CB-CG 4.4Å; N51-E71 PolarHBondContact ND2-OE1 2.91Å; N51-E71 VanDerWaalsContact ND2-OE1 3.13Å; F69-E71 HydrophobicContact CD1-CB 4.15Å; F69-E71 HydrophobicContact CE1-CB 3.62Å; F69-E71 HydrophobicContact CE1-CG 3.74Å; F69-E71 WeakPolarHBondContact CE1-OE2 3.37Å; F69-E71 HydrophobicContact CE2-CG 4.2Å; F69-E71 HydrophobicContact CZ-CB 3.99Å; F69-E71 HydrophobicContact CZ-CG 3.54Å; F69-E71 WeakPolarHBondContact CZ-OE2 3.24Å; E71-S73 PolarHBondContact O-N 3.48Å
72S71.7Confident72.6Confident52 Ų5270.1 Ų70.136%0.36436%0.36SS..THydrogen-bonded Turntrans57.714.6-175.9-49.60000114.6L70L70-S72 PolarHBondContact O-N 2.9Å
73S76.7Confident70.5Confident2 Ų270.3 Ų70.31%0.01438%0.375CS..EExtended strand (participates in β ladder)trans-85.5157.8165.376.40000111.2L70 E71 S100 S130L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 3.22Å; L70-S73 VanDerWaalsContact O-N 3.07Å; L70-S73 PolarHBondContact O-OG 3.29Å; E71-S73 PolarHBondContact O-N 3.48Å; S73-S100 CarbonylContact C-O 3.58Å; S73-S100 WeakPolarHBondContact CA-O 3.46Å; S73-S100 WeakPolarHBondContact CB-O 3.47Å; S73-S130 WeakPolarHBondContact O-CB 3.32Å
74Y79.9Confident68.2Low85 Ų8567.5 Ų67.533%0.33339%0.388SS..EExtended strand (participates in β ladder)trans-135.7141.516957.7-80.1000108.4E76 S100 R102Y74-E76 HydrophobicContact CD2-CG 3.97Å; Y74-E76 HydrophobicContact CE2-CG 4.31Å; Y74-S100 WeakPolarHBondContact CD1-O 3.43Å; Y74-S100 PolarHBondContact N-O 2.64Å; Y74-S100 PolarHBondContact O-N 2.98Å; Y74-R102 HydrophobicContact CD1-CG 4.21Å; Y74-R102 HydrophobicContact CE1-CG 4.08Å
75C82.8Confident65.8Low6 Ų677.6 Ų77.64%0.04142%0.424CS..EExtended strand (participates in β ladder)trans-113116.9-173.6-162.60000110.2F97 T98 I126 N127C75-F97 VanDerWaalsContact SG-CD2 3.52Å; C75-T98 WeakPolarHBondContact CA-O 3.44Å; C75-I126 HydrophobicContact CB-CB 4.29Å; C75-I126 HydrophobicContact CB-CG2 3.76Å; C75-N127 VanDerWaalsContact CB-OD1 3.29Å; C75-N127 WeakPolarHBondContact CB-OD1 3Å; C75-N127 PolarHBondContact N-OD1 3.22Å; C75-N127 PolarHBondContact O-ND2 2.96Å
76E78.2Confident63.4Low103 Ų10383 Ų8348%0.48145%0.45SS..EExtended strand (participates in β ladder)trans-113.3125.2-177.2-66.1-174.5161.500111.5Y74 F97 T98Y74-E76 HydrophobicContact CD2-CG 3.97Å; Y74-E76 HydrophobicContact CE2-CG 4.31Å; E76-F97 WeakPolarHBondContact O-CA 3.46Å; E76-T98 PolarHBondContact N-O 3.15Å; E76-T98 PolarHBondContact O-N 3.2Å
77P76.8Confident61Low76 Ų7690.1 Ų90.149%0.49448%0.484SS..EExtended strand (participates in β ladder)trans-74.2127.7170.829.4-31.6000110.5V79 V123P77-V79 PolarHBondContact O-N 3.34Å; P77-V123 HydrophobicContact CB-CG2 4.38Å
78N66.5Low58.4Low82 Ų8297 Ų9744%0.43951%0.511SS..  trans-10283.4-159.2-129.6-36.3000112.6N80 Y96 T98N78-N80 PolarHBondContact O-N 3.36Å; N78-Y96 PolarHBondContact N-O 2.89Å; N78-T98 PolarHBondContact ND2-OG1 2.68Å
79V47.8Very low56.1Low118 Ų118103.2 Ų103.272%0.71555%0.548SS*.  trans-83.594.1-169.2-169.50000112.8P77P77-V79 PolarHBondContact O-N 3.34Å
80N43.2Very low53.6Low128 Ų128105.6 Ų105.668%0.68457%0.574SS**  trans87.995.7179.3-59.4-91.4000117.5N78 K82N78-N80 PolarHBondContact O-N 3.36Å; N80-K82 PolarHBondContact O-N 3.21Å
81L40.7Very low51.2Low137 Ų137109.4 Ų109.472%0.71761%0.613SS**  trans-66.7106.4145.9-91.6155.4000109.6
82K39.3Very low49.5Very low153 Ų153112.5 Ų112.567%0.66563%0.627SS**  trans-73.4129.2167.5-81.4-164.5168.4-169.60109.7N80N80-K82 PolarHBondContact O-N 3.21Å
83S30.5Very low48.4Very low123 Ų123119 Ų11986%0.8665%0.652SS**  trans-62.7133.6-173.656.90000114
84G32.1Very low47.5Very low78 Ų78119.7 Ų119.780%0.80466%0.659SS**  trans-112.529.9-177.300000115.9
85R31.2Very low47.3Very low226 Ų226117.5 Ų117.585%0.85365%0.653SS**SBendtrans75.3151.7-176.4-64.4-175.3172.8159-1.1117
86D33Very low47.3Very low152 Ų152119.8 Ų119.881%0.81366%0.661SS**  trans58.771.2160.3-49.4-23.3000118.6
87D33.4Very low47.7Very low167 Ų167114.9 Ų114.989%0.89364%0.638SS**  -155.2161.3107.8-132.3-29.8000112.6
88K31.2Very low48.3Very low195 Ų195111.6 Ų111.685%0.84862%0.617SS**  trans-126.192-172.6-75.9-175.5178.7175.90115.1
89T36.4Very low49.3Very low130 Ų130107.7 Ų107.780%0.79860%0.596SS**  trans-147.4136.9156.141.60000112.6
90S32.2Very low51Low119 Ų119102.6 Ų102.683%0.83257%0.566SS**  trans17.6112.4159.654.20000119
91G33.9Very low52.8Low80 Ų8097.9 Ų97.983%0.82554%0.538SS*.  trans-86.1163.8-173.100000117.4
92Q41.6Very low54.1Low150 Ų15097.7 Ų97.770%0.70153%0.528SS*.  trans-144144.8153.8-88.3178.1-27.600107.1G94Q92-G94 PolarHBondContact O-N 3.44Å; Q92-G94 VanDerWaalsContact O-N 3.12Å
93Q49Very low55.1Low190 Ų19097.5 Ų97.589%0.88853%0.527SS*.  trans-73.599.8163.4-72.8171.6-82.800107.4
94G57.4Low56.1Low15 Ų15101.3 Ų101.316%0.15553%0.531CS..  trans-74.4136.6179.200000111.5Q92 Y96Q92-G94 PolarHBondContact O-N 3.44Å; Q92-G94 VanDerWaalsContact O-N 3.12Å; G94-Y96 WeakPolarHBondContact O-CD2 3.36Å; G94-Y96 VanDerWaalsContact O-CE2 3.25Å; G94-Y96 WeakPolarHBondContact O-CE2 3.35Å; G94-Y96 PolarHBondContact O-N 2.92Å
95N75.5Confident57.3Low39 Ų39101.9 Ų101.921%0.20954%0.537CS..EExtended strand (participates in β ladder)trans-87.887.9175.1-60.1-57000108.6R112 A113 T115 E116 C119N95-R112 WeakPolarHBondContact O-CA 3.47Å; N95-A113 PolarHBondContact O-N 3.05Å; N95-T115 PolarHBondContact ND2-O 2.93Å; N95-E116 PolarHBondContact ND2-N 2.91Å; N95-C119 HydrophobicContact CB-CB 3.68Å
96Y82.5Confident58.8Low55 Ų5592.7 Ų92.722%0.21651%0.507CS..EExtended strand (participates in β ladder)trans-90.4140.7-177-57.6-79.9000111.1W41 N78 G94 L111 R112W41-Y96 AromaticContact CE2-CE1 3.83Å; W41-Y96 AromaticContact CH2-CD1 3.55Å; W41-Y96 HydrophobicContact CH2-CD1 3.55Å; W41-Y96 AromaticContact CH2-CE1 3.79Å; W41-Y96 HydrophobicContact CH2-CE1 3.79Å; W41-Y96 AromaticContact CZ2-CD1 3.54Å; W41-Y96 HydrophobicContact CZ2-CD1 3.54Å; W41-Y96 AromaticContact CZ2-CE1 3.35Å; W41-Y96 HydrophobicContact CZ2-CE1 3.35Å; W41-Y96 HydrophobicContact CZ3-CD1 4.45Å; N78-Y96 PolarHBondContact N-O 2.89Å; G94-Y96 WeakPolarHBondContact O-CD2 3.36Å; G94-Y96 VanDerWaalsContact O-CE2 3.25Å; G94-Y96 WeakPolarHBondContact O-CE2 3.35Å; G94-Y96 PolarHBondContact O-N 2.92Å; Y96-L111 WeakPolarHBondContact CA-O 3.37Å; Y96-R112 HydrophobicContact CD1-CB 3.67Å; Y96-R112 HydrophobicContact CD1-CG 4.26Å; Y96-R112 HydrophobicContact CE1-CB 3.89Å; Y96-R112 HydrophobicContact CE1-CG 4.15Å
97F88.5Confident60.5Low0 Ų092.3 Ų92.30%049%0.494CS..EExtended strand (participates in β ladder)trans-139.2153.1167.964.3-88.8000110.7L31 C75 E76 L111 W122 V123 I126L31-F97 HydrophobicContact CD1-CE1 4.43Å; L31-F97 HydrophobicContact CD1-CZ 3.77Å; L31-F97 HydrophobicContact CD2-CE1 4.08Å; L31-F97 HydrophobicContact CD2-CZ 4.25Å; C75-F97 VanDerWaalsContact SG-CD2 3.52Å; E76-F97 WeakPolarHBondContact O-CA 3.46Å; F97-L111 HydrophobicContact CD1-CB 4.36Å; F97-L111 HydrophobicContact CD2-CB 4.05Å; F97-L111 HydrophobicContact CD2-CD1 4.32Å; F97-L111 HydrophobicContact CE1-CB 4.03Å; F97-L111 HydrophobicContact CE2-CB 3.7Å; F97-L111 HydrophobicContact CE2-CD1 3.49Å; F97-L111 VanDerWaalsContact CE2-CD1 3.49Å; F97-L111 HydrophobicContact CE2-CG 4.2Å; F97-L111 HydrophobicContact CG-CB 4.39Å; F97-L111 HydrophobicContact CZ-CB 3.7Å; F97-L111 HydrophobicContact CZ-CD1 3.88Å; F97-L111 HydrophobicContact CZ-CG 4.44Å; F97-L111 PolarHBondContact N-O 2.98Å; F97-L111 PolarHBondContact O-N 2.78Å; F97-L111 VanDerWaalsContact O-O 3.05Å; F97-W122 HydrophobicContact CE1-CB 3.93Å; F97-W122 HydrophobicContact CE2-CB 4.25Å; F97-W122 HydrophobicContact CZ-CB 3.57Å; F97-W122 HydrophobicContact CZ-CG 4.12Å; F97-V123 HydrophobicContact CB-CG2 3.62Å; F97-V123 HydrophobicContact CD1-CG2 4.46Å; F97-V123 HydrophobicContact CD2-CG2 4.19Å; F97-V123 HydrophobicContact CG-CG2 3.88Å; F97-I126 HydrophobicContact CE2-CD1 3.69Å; F97-I126 HydrophobicContact CZ-CD1 4.41Å
98T87.6Confident62.7Low6 Ų689 Ų894%0.03747%0.473CS..EExtended strand (participates in β ladder)trans-126.9127.3-171.6-67.60000110.1C75 E76 N78 Q108 Y109 D110C75-T98 WeakPolarHBondContact CA-O 3.44Å; E76-T98 PolarHBondContact N-O 3.15Å; E76-T98 PolarHBondContact O-N 3.2Å; N78-T98 PolarHBondContact ND2-OG1 2.68Å; T98-Q108 VanDerWaalsContact CG2-CD 3.43Å; T98-Q108 HydrophobicContact CG2-CG 3.34Å; T98-Q108 VanDerWaalsContact CG2-NE2 3.31Å; T98-Y109 WeakPolarHBondContact CA-O 3.34Å; T98-D110 PolarHBondContact OG1-OD1 3.25Å
99I88.1Confident65.3Low0 Ų081.1 Ų81.10%044%0.438CS..EExtended strand (participates in β ladder)trans-90.5112.9170.7-51.4176.7000108.1L53 L70 Y101 Q108 Y109 L111 I126L53-I99 HydrophobicContact CD2-CD1 3.76Å; L70-I99 HydrophobicContact CD2-CD1 4.18Å; L70-I99 HydrophobicContact CD2-CG2 4.2Å; I99-Y101 HydrophobicContact CG2-CE2 4.46Å; I99-Q108 WeakPolarHBondContact O-CA 3.33Å; I99-Y109 PolarHBondContact N-O 2.94Å; I99-Y109 PolarHBondContact O-N 2.88Å; I99-L111 HydrophobicContact CD1-CD1 3.72Å; I99-L111 HydrophobicContact CG1-CD1 4.2Å; I99-I126 HydrophobicContact CD1-CD1 4.02Å; I99-I126 HydrophobicContact CD1-CG2 4.45Å; I99-I126 HydrophobicContact CG1-CD1 4.46Å; I99-I126 HydrophobicContact CG1-CG2 4.49Å
100S84.2Confident67.8Low12 Ų1276.4 Ų76.48%0.08441%0.408CS..EExtended strand (participates in β ladder)trans-115.9162.9-179.2-71.50000111S73 Y74S73-S100 CarbonylContact C-O 3.58Å; S73-S100 WeakPolarHBondContact CA-O 3.46Å; S73-S100 WeakPolarHBondContact CB-O 3.47Å; Y74-S100 WeakPolarHBondContact CD1-O 3.43Å; Y74-S100 PolarHBondContact N-O 2.64Å; Y74-S100 PolarHBondContact O-N 2.98Å
101Y80.6Confident70.5Confident28 Ų2870.8 Ų70.811%0.1137%0.368CS..EExtended strand (participates in β ladder)trans-130.9144.6179.8-65.5-95.4000111Q2 I68 F69 I99 K103 V106 R107 Y109Q2-Y101 PolarHBondContact NE2-OH 3.45Å; I68-Y101 WeakPolarHBondContact CG2-OH 3.3Å; F69-Y101 WeakPolarHBondContact O-CE1 3.14Å; F69-Y101 PolarHBondContact O-OH 2.86Å; I99-Y101 HydrophobicContact CG2-CE2 4.46Å; Y101-K103 PolarHBondContact O-N 2.87Å; Y101-V106 HydrophobicContact CD1-CG1 4.23Å; Y101-V106 HydrophobicContact CD2-CB 4.41Å; Y101-V106 HydrophobicContact CD2-CG1 3.51Å; Y101-V106 HydrophobicContact CE2-CG1 4.09Å; Y101-V106 HydrophobicContact CG-CB 4.35Å; Y101-V106 HydrophobicContact CG-CG1 3.59Å; Y101-R107 WeakPolarHBondContact CD2-O 3.36Å; Y101-R107 WeakPolarHBondContact CE2-O 3.35Å; Y101-Y109 HydrophobicContact CE2-CD2 4.41Å; Y101-Y109 HydrophobicContact CE2-CE2 4.24Å
102R67.2Low73Confident134 Ų13468.5 Ų68.551%0.50634%0.335SS..SBendtrans-68.6-2.6-175-77.9-169-178.2175.35.1115.8Y74 E136 Q139Y74-R102 HydrophobicContact CD1-CG 4.21Å; Y74-R102 HydrophobicContact CE1-CG 4.08Å; R102-E136 IonicContact NH2-OE1 2.69Å; R102-Q139 VanDerWaalsContact NH1-OE1 3.08Å
103K61.3Low75.2Confident149 Ų14961.4 Ų61.465%0.64830%0.302SS*.SBendtrans-108.1123.4175.9-76.1-177.4177.3175.20110Y101 V106Y101-K103 PolarHBondContact O-N 2.87Å; K103-V106 HydrophobicContact CB-CG2 3.95Å; K103-V106 WeakPolarHBondContact O-CG2 3.49Å; K103-V106 PolarHBondContact O-N 2.89Å
104E50.4Low76.7Confident202 Ų20256.8 Ų56.894%0.94428%0.283SS*.THydrogen-bonded Turntrans-53.9141.3172.3-62-178.9143.200110.9
105G57.5Low77.9Confident90 Ų9059.1 Ų59.193%0.92830%0.295SS*.THydrogen-bonded Turntrans78.514.5-177.500000115.9
106V63.1Low78.1Confident34 Ų3464.3 Ų64.321%0.20632%0.318CS..SBendtrans-95.1145.9167.3-178.90000109.8Q2 Y101 K103 Q108Q2-V106 VanDerWaalsContact CD-CG1 3.45Å; Q2-V106 HydrophobicContact CG-CG1 4.04Å; Y101-V106 HydrophobicContact CD1-CG1 4.23Å; Y101-V106 HydrophobicContact CD2-CB 4.41Å; Y101-V106 HydrophobicContact CD2-CG1 3.51Å; Y101-V106 HydrophobicContact CE2-CG1 4.09Å; Y101-V106 HydrophobicContact CG-CB 4.35Å; Y101-V106 HydrophobicContact CG-CG1 3.59Å; K103-V106 HydrophobicContact CB-CG2 3.95Å; K103-V106 WeakPolarHBondContact O-CG2 3.49Å; K103-V106 PolarHBondContact O-N 2.89Å; V106-Q108 PolarHBondContact O-N 2.89Å
107R69.9Low78.1Confident144 Ų14469.3 Ų69.354%0.54334%0.343SS..PPolyproline II helixtrans-68.6122.7-176.2-74.8-175.8175.6174.70.2111.3Y101 Y109Y101-R107 WeakPolarHBondContact CD2-O 3.36Å; Y101-R107 WeakPolarHBondContact CE2-O 3.35Å; R107-Y109 HydrophobicContact CB-CE2 4.4Å; R107-Y109 WeakPolarHBondContact O-CE2 3.42Å
108Q79.8Confident77.8Confident97 Ų9773 Ų7345%0.45336%0.36SS..PPolyproline II helixtrans-79.1148.3167.7-179.6-176.9-4800110.2T98 I99 V106 D110T98-Q108 VanDerWaalsContact CG2-CD 3.43Å; T98-Q108 HydrophobicContact CG2-CG 3.34Å; T98-Q108 VanDerWaalsContact CG2-NE2 3.31Å; I99-Q108 WeakPolarHBondContact O-CA 3.33Å; V106-Q108 PolarHBondContact O-N 2.89Å; Q108-D110 PolarHBondContact NE2-OD1 3.27Å
109Y85.3Confident77.7Confident29 Ų2973.2 Ų73.211%0.11436%0.362CS..EExtended strand (participates in β ladder)trans-124.2113.3174.1-59.2-80000111.3I68 T98 I99 Y101 R107I68-Y109 HydrophobicContact CD1-CD1 3.98Å; I68-Y109 HydrophobicContact CD1-CD2 3.94Å; I68-Y109 HydrophobicContact CD1-CE1 4.26Å; I68-Y109 HydrophobicContact CD1-CE2 4.23Å; I68-Y109 HydrophobicContact CD1-CG 3.81Å; I68-Y109 HydrophobicContact CG1-CD2 4.27Å; I68-Y109 HydrophobicContact CG1-CE1 4.35Å; I68-Y109 HydrophobicContact CG1-CE2 4.07Å; I68-Y109 HydrophobicContact CG2-CD2 3.92Å; I68-Y109 HydrophobicContact CG2-CE2 3.81Å; T98-Y109 WeakPolarHBondContact CA-O 3.34Å; I99-Y109 PolarHBondContact N-O 2.94Å; I99-Y109 PolarHBondContact O-N 2.88Å; Y101-Y109 HydrophobicContact CE2-CD2 4.41Å; Y101-Y109 HydrophobicContact CE2-CE2 4.24Å; R107-Y109 HydrophobicContact CB-CE2 4.4Å; R107-Y109 WeakPolarHBondContact O-CE2 3.42Å
110D87.9Confident77.6Confident32 Ų3276.2 Ų76.217%0.17138%0.383CS..EExtended strand (participates in β ladder)trans-83.9125.9170.7-64-16.1000109.9R34 W41 T98 Q108R34-D110 HydrophobicContact CB-CB 3.87Å; R34-D110 WeakPolarHBondContact CD-OD2 3.4Å; R34-D110 IonicContact CZ-OD2 2.76Å; R34-D110 PolarHBondContact N-O 3.26Å; R34-D110 VanDerWaalsContact N-O 3.09Å; R34-D110 IonicContact NH1-OD2 2.68Å; R34-D110 PolarHBondContact NH1-OD2 3.4Å; W41-D110 HydrophobicContact CH2-CB 3.93Å; W41-D110 HydrophobicContact CZ3-CB 4.49Å; T98-D110 PolarHBondContact OG1-OD1 3.25Å; Q108-D110 PolarHBondContact NE2-OD1 3.27Å
111L89.7Confident77.7Confident0 Ų080.8 Ų80.80%040%0.404CS..EExtended strand (participates in β ladder)trans-126.7157.7-179.6-62.6175.5000110.5L31 W32 K33 F46 Y96 F97 I99L31-L111 HydrophobicContact CD1-CD1 4.41Å; W32-L111 CarbonylContact O-C 3.59Å; W32-L111 WeakPolarHBondContact O-CA 3.48Å; K33-L111 HydrophobicContact CB-CD2 3.97Å; K33-L111 HydrophobicContact CG-CD2 3.93Å; F46-L111 HydrophobicContact CE1-CD1 4.48Å; F46-L111 HydrophobicContact CE1-CD2 4.07Å; F46-L111 HydrophobicContact CE2-CD2 4.23Å; F46-L111 HydrophobicContact CZ-CD2 3.51Å; Y96-L111 WeakPolarHBondContact CA-O 3.37Å; F97-L111 HydrophobicContact CD1-CB 4.36Å; F97-L111 HydrophobicContact CD2-CB 4.05Å; F97-L111 HydrophobicContact CD2-CD1 4.32Å; F97-L111 HydrophobicContact CE1-CB 4.03Å; F97-L111 HydrophobicContact CE2-CB 3.7Å; F97-L111 HydrophobicContact CE2-CD1 3.49Å; F97-L111 VanDerWaalsContact CE2-CD1 3.49Å; F97-L111 HydrophobicContact CE2-CG 4.2Å; F97-L111 HydrophobicContact CG-CB 4.39Å; F97-L111 HydrophobicContact CZ-CB 3.7Å; F97-L111 HydrophobicContact CZ-CD1 3.88Å; F97-L111 HydrophobicContact CZ-CG 4.44Å; F97-L111 PolarHBondContact N-O 2.98Å; F97-L111 PolarHBondContact O-N 2.78Å; F97-L111 VanDerWaalsContact O-O 3.05Å; I99-L111 HydrophobicContact CD1-CD1 3.72Å; I99-L111 HydrophobicContact CG1-CD1 4.2Å
112R86.7Confident78.2Confident33 Ų3379.9 Ų79.913%0.12540%0.401CS..EExtended strand (participates in β ladder)trans-141.8135.7173.8160.6-175.9172.7-175.3-3.2111L31 W32 W41 N95 Y96 D114L31-R112 WeakPolarHBondContact CD2-O 3.16Å; W32-R112 HydrophobicContact CB-CB 4.05Å; W32-R112 HydrophobicContact CB-CG 4.38Å; W32-R112 PolarHBondContact N-O 3.02Å; W32-R112 PolarHBondContact O-N 2.56Å; W41-R112 HydrophobicContact CE3-CB 4.44Å; W41-R112 HydrophobicContact CH2-CB 4.35Å; W41-R112 HydrophobicContact CZ3-CB 4.03Å; N95-R112 WeakPolarHBondContact O-CA 3.47Å; Y96-R112 HydrophobicContact CD1-CB 3.67Å; Y96-R112 HydrophobicContact CD1-CG 4.26Å; Y96-R112 HydrophobicContact CE1-CB 3.89Å; Y96-R112 HydrophobicContact CE1-CG 4.15Å; R112-D114 IonicContact NH2-OD1 2.73Å
113A86.5Confident79.1Confident1 Ų173.9 Ų73.91%0.00838%0.379CS..EExtended strand (participates in β ladder)trans-96.4164.6165.200000111.1L31 N95 E118 C119L31-A113 HydrophobicContact CD2-CB 3.84Å; N95-A113 PolarHBondContact O-N 3.05Å; A113-E118 HydrophobicContact CB-CB 3.87Å; A113-C119 HydrophobicContact CB-CB 4.1Å
114D81.8Confident80.2Confident92 Ų9271.6 Ų71.649%0.49237%0.374SS..SBendtrans-86.5-28.8178.1-71.4-31.7000112.1W32 R112W32-D114 PolarHBondContact NE1-OD1 2.69Å; R112-D114 IonicContact NH2-OD1 2.73Å
115T82.5Confident81.9Confident64 Ų6462.5 Ų62.539%0.39333%0.333SS..SBendtrans-113163.7171.3680000113.7N95 E118 C119N95-T115 PolarHBondContact ND2-O 2.93Å; T115-E118 WeakPolarHBondContact CB-OE2 3.14Å; T115-E118 PolarHBondContact N-OE2 3.25Å; T115-E118 VanDerWaalsContact OG1-CB 3.3Å; T115-E118 WeakPolarHBondContact OG1-CB 3.06Å; T115-E118 VanDerWaalsContact OG1-CD 3.24Å; T115-E118 WeakPolarHBondContact OG1-CG 3.44Å; T115-E118 PolarHBondContact OG1-N 3.38Å; T115-E118 PolarHBondContact OG1-OE2 3.17Å; T115-C119 WeakPolarHBondContact O-CB 3.3Å; T115-C119 PolarHBondContact O-N 2.71Å
116E80.1Confident83.3Confident149 Ų14958.2 Ų58.270%0.69629%0.289SS*.Hα-helixtrans-75.6-35.6176.9-172.2171.7-170.300111.5N95 C119 S120N95-E116 PolarHBondContact ND2-N 2.91Å; E116-C119 WeakPolarHBondContact O-CB 3.46Å; E116-C119 PolarHBondContact O-N 3.37Å; E116-S120 PolarHBondContact O-N 2.83Å
117E81.2Confident84.2Confident159 Ų15959.3 Ų59.374%0.74329%0.294SS*.Hα-helixtrans-63.2-47.6175.6-63.3-176.3164.600111.4C119 S120 M121E117-C119 VanDerWaalsContact C-N 3.28Å; E117-C119 PolarHBondContact O-N 3.02Å; E117-S120 PolarHBondContact O-N 2.92Å; E117-M121 WeakPolarHBondContact O-CG 3.4Å; E117-M121 PolarHBondContact O-N 3.07Å
118E83.1Confident84.5Confident78 Ų7855 Ų5536%0.36429%0.294SS..Hα-helixtrans-59.1-40.1172.1-72.9167.5130.800111.7A113 T115 S120 M121 W122A113-E118 HydrophobicContact CB-CB 3.87Å; T115-E118 WeakPolarHBondContact CB-OE2 3.14Å; T115-E118 PolarHBondContact N-OE2 3.25Å; T115-E118 VanDerWaalsContact OG1-CB 3.3Å; T115-E118 WeakPolarHBondContact OG1-CB 3.06Å; T115-E118 VanDerWaalsContact OG1-CD 3.24Å; T115-E118 WeakPolarHBondContact OG1-CG 3.44Å; T115-E118 PolarHBondContact OG1-N 3.38Å; T115-E118 PolarHBondContact OG1-OE2 3.17Å; E118-S120 PolarHBondContact O-N 2.84Å; E118-M121 PolarHBondContact O-N 3.49Å; E118-W122 WeakPolarHBondContact O-CB 3.35Å; E118-W122 PolarHBondContact O-N 3.03Å
119C85.5Confident84.4Confident10 Ų1050.6 Ų50.67%0.06827%0.274CS..Hα-helixtrans-60.7-45.1178.1-171.30000111.5N95 A113 T115 E116 E117 V123N95-C119 HydrophobicContact CB-CB 3.68Å; A113-C119 HydrophobicContact CB-CB 4.1Å; T115-C119 WeakPolarHBondContact O-CB 3.3Å; T115-C119 PolarHBondContact O-N 2.71Å; E116-C119 WeakPolarHBondContact O-CB 3.46Å; E116-C119 PolarHBondContact O-N 3.37Å; E117-C119 VanDerWaalsContact C-N 3.28Å; E117-C119 PolarHBondContact O-N 3.02Å; C119-V123 WeakPolarHBondContact O-CB 3.13Å; C119-V123 VanDerWaalsContact O-CG2 3.24Å; C119-V123 WeakPolarHBondContact O-CG2 3.34Å; C119-V123 PolarHBondContact O-N 2.92Å
120S85.5Confident83.8Confident64 Ų6449.5 Ų49.545%0.44827%0.271SS..Hα-helixtrans-64.6-46.8174.8-159.80000111.2E116 E117 E118 W122 V123 D124E116-S120 PolarHBondContact O-N 2.83Å; E117-S120 PolarHBondContact O-N 2.92Å; E118-S120 PolarHBondContact O-N 2.84Å; S120-W122 VanDerWaalsContact C-N 3.32Å; S120-W122 PolarHBondContact O-N 2.96Å; S120-V123 PolarHBondContact O-N 3.14Å; S120-V123 VanDerWaalsContact O-N 3.14Å; S120-D124 WeakPolarHBondContact O-CB 3.24Å; S120-D124 PolarHBondContact O-N 3.2Å; S120-D124 PolarHBondContact OG-OD2 3.42Å
121M86.4Confident82.7Confident108 Ų10853.7 Ų53.753%0.53229%0.288SS..Hα-helixtrans-56.7-42.8178.6-74178.263.400112.5L27 E117 E118 A125L27-M121 HydrophobicContact CD1-CE 4.14Å; L27-M121 HydrophobicContact CD2-CB 4.35Å; E117-M121 WeakPolarHBondContact O-CG 3.4Å; E117-M121 PolarHBondContact O-N 3.07Å; E118-M121 PolarHBondContact O-N 3.49Å; M121-A125 WeakPolarHBondContact O-CB 3.44Å; M121-A125 PolarHBondContact O-N 3.26Å
122W90.2Very high81.4Confident8 Ų855.1 Ų55.13%0.0330%0.298CS..Hα-helixtrans-68.7-42.4175.7-82.2105.3000112.5L27 L31 F46 L48 L53 F97 E118 S120 A125 I126L27-W122 HydrophobicContact CB-CH2 4.42Å; L27-W122 HydrophobicContact CB-CZ3 4.34Å; L27-W122 HydrophobicContact CD2-CB 4.32Å; L27-W122 HydrophobicContact CD2-CD2 3.41Å; L27-W122 VanDerWaalsContact CD2-CD2 3.41Å; L27-W122 HydrophobicContact CD2-CE3 3.72Å; L27-W122 HydrophobicContact CD2-CG 3.69Å; L27-W122 HydrophobicContact CD2-CZ2 4.26Å; L27-W122 HydrophobicContact CD2-CZ3 4.25Å; L27-W122 HydrophobicContact CG-CD2 4.05Å; L27-W122 HydrophobicContact CG-CE3 4.22Å; L27-W122 HydrophobicContact CG-CH2 4.13Å; L27-W122 HydrophobicContact CG-CZ2 3.96Å; L27-W122 HydrophobicContact CG-CZ3 4.26Å; L31-W122 HydrophobicContact CD1-CD2 3.75Å; L31-W122 HydrophobicContact CD1-CE3 4.1Å; L31-W122 HydrophobicContact CD1-CG 4.11Å; L31-W122 HydrophobicContact CD1-CH2 4.45Å; L31-W122 HydrophobicContact CD1-CZ2 4.1Å; L31-W122 HydrophobicContact CD1-CZ3 4.44Å; L31-W122 HydrophobicContact CD2-CG 4.29Å; L31-W122 HydrophobicContact CG-CD2 4.45Å; L31-W122 HydrophobicContact CG-CZ2 4.36Å; F46-W122 HydrophobicContact CB-CH2 3.69Å; F46-W122 HydrophobicContact CB-CZ2 4.24Å; F46-W122 HydrophobicContact CB-CZ3 4.32Å; L48-W122 HydrophobicContact CB-CZ3 4.24Å; L53-W122 HydrophobicContact CD1-CH2 4.49Å; L53-W122 HydrophobicContact CD1-CZ3 3.8Å; F97-W122 HydrophobicContact CE1-CB 3.93Å; F97-W122 HydrophobicContact CE2-CB 4.25Å; F97-W122 HydrophobicContact CZ-CB 3.57Å; F97-W122 HydrophobicContact CZ-CG 4.12Å; E118-W122 WeakPolarHBondContact O-CB 3.35Å; E118-W122 PolarHBondContact O-N 3.03Å; S120-W122 VanDerWaalsContact C-N 3.32Å; S120-W122 PolarHBondContact O-N 2.96Å; W122-A125 PolarHBondContact O-N 3.38Å; W122-I126 HydrophobicContact CE3-CD1 4.25Å; W122-I126 VanDerWaalsContact O-CB 3.29Å; W122-I126 WeakPolarHBondContact O-CB 3.29Å; W122-I126 WeakPolarHBondContact O-CD1 3.34Å; W122-I126 WeakPolarHBondContact O-CG1 3.29Å; W122-I126 PolarHBondContact O-N 2.91Å
123V87.1Confident80.1Confident9 Ų961.3 Ų61.36%0.05533%0.325CS..Hα-helixtrans-59.7-48.41761670000111.2P77 F97 C119 S120 I126 N127P77-V123 HydrophobicContact CB-CG2 4.38Å; F97-V123 HydrophobicContact CB-CG2 3.62Å; F97-V123 HydrophobicContact CD1-CG2 4.46Å; F97-V123 HydrophobicContact CD2-CG2 4.19Å; F97-V123 HydrophobicContact CG-CG2 3.88Å; C119-V123 WeakPolarHBondContact O-CB 3.13Å; C119-V123 VanDerWaalsContact O-CG2 3.24Å; C119-V123 WeakPolarHBondContact O-CG2 3.34Å; C119-V123 PolarHBondContact O-N 2.92Å; S120-V123 PolarHBondContact O-N 3.14Å; S120-V123 VanDerWaalsContact O-N 3.14Å; V123-I126 PolarHBondContact O-N 2.65Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N127 VanDerWaalsContact O-CB 3.31Å; V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.47Å
124D84.2Confident78.9Confident100 Ų10064.3 Ų64.354%0.53534%0.341SS..Hα-helixtrans-68-40.4179.8-70.1-41.6000112.2S120 G128S120-D124 WeakPolarHBondContact O-CB 3.24Å; S120-D124 PolarHBondContact O-N 3.2Å; S120-D124 PolarHBondContact OG-OD2 3.42Å; D124-G128 PolarHBondContact O-N 3.07Å
125A85.5Confident78Confident11 Ų1162.1 Ų62.19%0.09133%0.329CS..Hα-helixtrans-63.6-4317700000112L27 L48 M121 W122 G128 A129L27-A125 HydrophobicContact CB-CB 4.25Å; L27-A125 HydrophobicContact CD2-CB 3.88Å; L48-A125 HydrophobicContact CD2-CB 3.71Å; M121-A125 WeakPolarHBondContact O-CB 3.44Å; M121-A125 PolarHBondContact O-N 3.26Å; W122-A125 PolarHBondContact O-N 3.38Å; A125-G128 CarbonylContact O-C 3.55Å; A125-A129 WeakPolarHBondContact O-CB 3.17Å; A125-A129 PolarHBondContact O-N 3.38Å; A125-A129 VanDerWaalsContact O-N 3.14Å
126I86.7Confident77.2Confident0 Ų063.5 Ų63.50%033%0.331CS..Hα-helixtrans-70.1-48178.1-69.9165.8000111.1L53 L70 C75 F97 I99 W122 V123 G128 A129 S130L53-I126 HydrophobicContact CD2-CD1 4.18Å; L70-I126 HydrophobicContact CD1-CG1 4.39Å; L70-I126 HydrophobicContact CD1-CG2 4.1Å; L70-I126 HydrophobicContact CD2-CG2 4.06Å; C75-I126 HydrophobicContact CB-CB 4.29Å; C75-I126 HydrophobicContact CB-CG2 3.76Å; F97-I126 HydrophobicContact CE2-CD1 3.69Å; F97-I126 HydrophobicContact CZ-CD1 4.41Å; I99-I126 HydrophobicContact CD1-CD1 4.02Å; I99-I126 HydrophobicContact CD1-CG2 4.45Å; I99-I126 HydrophobicContact CG1-CD1 4.46Å; I99-I126 HydrophobicContact CG1-CG2 4.49Å; W122-I126 HydrophobicContact CE3-CD1 4.25Å; W122-I126 VanDerWaalsContact O-CB 3.29Å; W122-I126 WeakPolarHBondContact O-CB 3.29Å; W122-I126 WeakPolarHBondContact O-CD1 3.34Å; W122-I126 WeakPolarHBondContact O-CG1 3.29Å; W122-I126 PolarHBondContact O-N 2.91Å; V123-I126 PolarHBondContact O-N 2.65Å; I126-G128 VanDerWaalsContact C-N 3.29Å; I126-G128 PolarHBondContact O-N 2.88Å; I126-A129 CarbonylContact O-C 3.5Å; I126-A129 WeakPolarHBondContact O-CA 3.37Å; I126-A129 WeakPolarHBondContact O-CB 3.47Å; I126-A129 PolarHBondContact O-N 2.94Å; I126-S130 PolarHBondContact O-N 3.31Å
127N82.5Confident76.6Confident58 Ų5861.5 Ų61.531%0.3133%0.325SS..Hα-helixtrans-60.1-42.3176.4-79.6-34000110.7C75 V123 A129 S130C75-N127 VanDerWaalsContact CB-OD1 3.29Å; C75-N127 WeakPolarHBondContact CB-OD1 3Å; C75-N127 PolarHBondContact N-OD1 3.22Å; C75-N127 PolarHBondContact O-ND2 2.96Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N127 VanDerWaalsContact O-CB 3.31Å; V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.47Å; N127-A129 PolarHBondContact O-N 3.02Å; N127-S130 PolarHBondContact O-N 2.97Å; N127-S130 PolarHBondContact O-OG 3.13Å
128G77Confident76.1Confident54 Ų5458.2 Ų58.256%0.55731%0.308SS*.THydrogen-bonded Turntrans-734.3171.800000115.9K26 D124 A125 I126K26-G128 PolarHBondContact NZ-O 2.93Å; D124-G128 PolarHBondContact O-N 3.07Å; A125-G128 CarbonylContact O-C 3.55Å; I126-G128 VanDerWaalsContact C-N 3.29Å; I126-G128 PolarHBondContact O-N 2.88Å
129A77.1Confident75.5Confident4 Ų458.6 Ų58.63%0.03331%0.31CS..THydrogen-bonded Turntrans-114.1-14.2171.900000112.8L48 Q50 L70 A125 I126 N127 F131L48-A129 HydrophobicContact CD1-CB 4.05Å; L48-A129 HydrophobicContact CD2-CB 4.34Å; Q50-A129 WeakPolarHBondContact O-CB 3.11Å; L70-A129 HydrophobicContact CD1-CB 3.96Å; A125-A129 WeakPolarHBondContact O-CB 3.17Å; A125-A129 PolarHBondContact O-N 3.38Å; A125-A129 VanDerWaalsContact O-N 3.14Å; I126-A129 CarbonylContact O-C 3.5Å; I126-A129 WeakPolarHBondContact O-CA 3.37Å; I126-A129 WeakPolarHBondContact O-CB 3.47Å; I126-A129 PolarHBondContact O-N 2.94Å; N127-A129 PolarHBondContact O-N 3.02Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 3.48Å
130S71.9Confident74.6Confident6 Ų662.4 Ų62.44%0.04233%0.327CS..SBendtrans-70.1-14.3-176.2700000115.9L70 S73 I126 N127 S132L70-S130 WeakPolarHBondContact O-CA 3.26Å; S73-S130 WeakPolarHBondContact O-CB 3.32Å; I126-S130 PolarHBondContact O-N 3.31Å; N127-S130 PolarHBondContact O-N 2.97Å; N127-S130 PolarHBondContact O-OG 3.13Å; S130-S132 PolarHBondContact O-N 3.4Å; S130-S132 VanDerWaalsContact O-N 3.11Å; S130-S132 PolarHBondContact OG-N 2.97Å
131F65.7Low73.7Confident120 Ų12061.4 Ų61.453%0.52632%0.322SS..  trans50.923.1-168.5-70.6-77.4000115.4N51 A129 K133 L134 L135N51-F131 HydrophobicContact CB-CD2 4.24Å; N51-F131 HydrophobicContact CB-CE2 4.2Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 3.48Å; F131-K133 PolarHBondContact O-N 3.37Å; F131-L134 HydrophobicContact CB-CB 4.45Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.68Å; F131-L135 PolarHBondContact O-N 3.05Å
132S61.5Low72.9Confident29 Ų2960.5 Ų60.520%0.20332%0.316CS..Hα-helixtrans-52.7-32.8-175.3-171.20000114.4S130 L134 L135 E136S130-S132 PolarHBondContact O-N 3.4Å; S130-S132 VanDerWaalsContact O-N 3.11Å; S130-S132 PolarHBondContact OG-N 2.97Å; S132-L134 VanDerWaalsContact C-N 3.28Å; S132-L134 PolarHBondContact O-N 2.75Å; S132-L135 WeakPolarHBondContact O-CB 3.47Å; S132-L135 PolarHBondContact O-N 3.43Å; S132-E136 WeakPolarHBondContact O-CG 3.47Å; S132-E136 PolarHBondContact O-N 3.31Å
133K59.9Low72.1Confident163 Ų16367.1 Ų67.171%0.70935%0.348SS*.Hα-helixtrans-66.8-26.4177.5-166161.7-172165.80113.8F131 L137F131-K133 PolarHBondContact O-N 3.37Å; K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 3.16Å
134L61.6Low71.4Confident65 Ų6572.7 Ų72.734%0.3437%0.371SS..Hα-helixtrans-78.3-34.1174.6-152157.9000110.3F131 S132 K138F131-L134 HydrophobicContact CB-CB 4.45Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.68Å; S132-L134 VanDerWaalsContact C-N 3.28Å; S132-L134 PolarHBondContact O-N 2.75Å; L134-K138 WeakPolarHBondContact O-CB 3.28Å; L134-K138 PolarHBondContact O-N 2.85Å
135L62.7Low71Confident45 Ų4570.9 Ų70.924%0.23636%0.36CS..Hα-helixtrans-64.9-39.8170-178.564.6000112F131 S132 K138 Q139F131-L135 PolarHBondContact O-N 3.05Å; S132-L135 WeakPolarHBondContact O-CB 3.47Å; S132-L135 PolarHBondContact O-N 3.43Å; L135-K138 WeakPolarHBondContact O-CB 3.46Å; L135-K138 PolarHBondContact O-N 3.05Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 3.28Å
136E64.9Low70.6Confident94 Ų9475.4 Ų75.444%0.43938%0.382SS..Hα-helixtrans-63.4-48176.1-74.3165.7176.600112R102 S132 K138 Q139 E140R102-E136 IonicContact NH2-OE1 2.69Å; S132-E136 WeakPolarHBondContact O-CG 3.47Å; S132-E136 PolarHBondContact O-N 3.31Å; E136-K138 PolarHBondContact O-N 3.29Å; E136-Q139 PolarHBondContact O-N 3.24Å; E136-Q139 VanDerWaalsContact O-N 3.14Å; E136-E140 PolarHBondContact O-N 2.88Å
137L67.6Low70.1Confident107 Ų10780.9 Ų80.956%0.5641%0.407SS*.Hα-helixtrans-58.8-36.6173-72.7168.6000112.2K133 A141K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 3.16Å; L137-A141 WeakPolarHBondContact O-CB 3.12Å; L137-A141 PolarHBondContact O-N 2.89Å
138K72.1Confident69.5Low90 Ų9083.8 Ų83.839%0.39142%0.422SS..Hα-helixtrans-66.2-45.4173.4176.1170.6173.3168.60112.1L134 L135 E136 E140 A141 E142L134-K138 WeakPolarHBondContact O-CB 3.28Å; L134-K138 PolarHBondContact O-N 2.85Å; L135-K138 WeakPolarHBondContact O-CB 3.46Å; L135-K138 PolarHBondContact O-N 3.05Å; E136-K138 PolarHBondContact O-N 3.29Å; K138-E140 VanDerWaalsContact C-N 3.31Å; K138-E140 PolarHBondContact O-N 3.21Å; K138-A141 PolarHBondContact O-N 3.48Å; K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 IonicContact NZ-OE1 3.19Å; K138-E142 WeakPolarHBondContact O-CB 3.22Å; K138-E142 WeakPolarHBondContact O-CG 3.48Å; K138-E142 PolarHBondContact O-N 2.88Å
139Q69.7Low69.2Low85 Ų8584.1 Ų84.140%0.39742%0.416SS..Hα-helixtrans-63.6-37.7178.1-71.4-170.8-55.400111.8R102 L135 E136 E142 Q143R102-Q139 VanDerWaalsContact NH1-OE1 3.08Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 3.28Å; E136-Q139 PolarHBondContact O-N 3.24Å; E136-Q139 VanDerWaalsContact O-N 3.14Å; Q139-E142 PolarHBondContact O-N 3.11Å; Q139-Q143 WeakPolarHBondContact O-CG 3.07Å; Q139-Q143 PolarHBondContact O-N 2.7Å
140E65.9Low69.1Low91 Ų9189 Ų8943%0.42544%0.438SS..Hα-helixtrans-65.4-40.8173.6-161.9-167.7164.300111.7E136 K138 K144E136-E140 PolarHBondContact O-N 2.88Å; K138-E140 VanDerWaalsContact C-N 3.31Å; K138-E140 PolarHBondContact O-N 3.21Å; E140-K144 VanDerWaalsContact O-CG 3.31Å; E140-K144 WeakPolarHBondContact O-CG 3.37Å; E140-K144 PolarHBondContact O-N 3.14Å; E140-K144 VanDerWaalsContact OE1-CE 3.25Å; E140-K144 WeakPolarHBondContact OE1-CE 3.36Å; E140-K144 IonicContact OE1-NZ 3.79Å; E140-K144 PolarHBondContact OE1-NZ 2.96Å
141A66.3Low69.2Low43 Ų4392.4 Ų92.436%0.35546%0.455SS..Hα-helixtrans-66.3-41.917500000112.7L137 K138 K144 Q145L137-A141 WeakPolarHBondContact O-CB 3.12Å; L137-A141 PolarHBondContact O-N 2.89Å; K138-A141 PolarHBondContact O-N 3.48Å; A141-K144 PolarHBondContact O-N 3Å; A141-Q145 VanDerWaalsContact O-CB 3.28Å; A141-Q145 WeakPolarHBondContact O-CB 3.07Å; A141-Q145 PolarHBondContact O-N 2.86Å
142E71.6Confident69.3Low88 Ų8889.7 Ų89.741%0.41145%0.445SS..Hα-helixtrans-64.5-38.7176-75176.816100111.7K138 Q139 L146K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 IonicContact NZ-OE1 3.19Å; K138-E142 WeakPolarHBondContact O-CB 3.22Å; K138-E142 WeakPolarHBondContact O-CG 3.48Å; K138-E142 PolarHBondContact O-N 2.88Å; Q139-E142 PolarHBondContact O-N 3.11Å; E142-L146 WeakPolarHBondContact O-CB 3.35Å; E142-L146 PolarHBondContact O-N 3.29Å
143Q73.4Confident69.9Low147 Ų14792.5 Ų92.569%0.68746%0.456SS*.Hα-helixtrans-65.1-45.3172.2-77.3-171.5-5.300112.3Q139 Q145 L146 H147Q139-Q143 WeakPolarHBondContact O-CG 3.07Å; Q139-Q143 PolarHBondContact O-N 2.7Å; Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q143-Q145 PolarHBondContact O-N 3.27Å; Q143-L146 PolarHBondContact O-N 3.29Å; Q143-H147 WeakPolarHBondContact O-CB 2.86Å; Q143-H147 PolarHBondContact O-N 3.47Å
144K70.9Confident70.4Confident126 Ų12688.4 Ų88.455%0.54844%0.444SS..Hα-helixtrans-61.5-42.7176.4-73.6170.4-175.7172.40111.5E140 A141 L148E140-K144 VanDerWaalsContact O-CG 3.31Å; E140-K144 WeakPolarHBondContact O-CG 3.37Å; E140-K144 PolarHBondContact O-N 3.14Å; E140-K144 VanDerWaalsContact OE1-CE 3.25Å; E140-K144 WeakPolarHBondContact OE1-CE 3.36Å; E140-K144 IonicContact OE1-NZ 3.79Å; E140-K144 PolarHBondContact OE1-NZ 2.96Å; A141-K144 PolarHBondContact O-N 3Å; K144-L148 WeakPolarHBondContact O-CB 2.97Å; K144-L148 PolarHBondContact O-N 3.32Å
145Q76Confident70.5Confident63 Ų6391.8 Ų91.829%0.29446%0.458SS..Hα-helixtrans-57.5-49.1172.5167.3-171.7-17.300112A141 Q143 L148 S149 T751A141-Q145 VanDerWaalsContact O-CB 3.28Å; A141-Q145 WeakPolarHBondContact O-CB 3.07Å; A141-Q145 PolarHBondContact O-N 2.86Å; Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q143-Q145 PolarHBondContact O-N 3.27Å; Q145-L148 PolarHBondContact O-N 3.18Å; Q145-S149 WeakPolarHBondContact O-CB 3.22Å; Q145-S149 PolarHBondContact O-N 3.4Å; Q145-T751 HydrophobicContact CB-CG2 4.38Å; Q145-T751 HydrophobicContact CG-CG2 4.04Å; Q145-T751 WeakPolarHBondContact CG-OG1 3.47Å; Q145-T751 PolarHBondContact NE2-OG1 3.22Å; Q145-T751 PolarHBondContact OE1-OG1 3.36Å
146L77.4Confident70.9Confident106 Ų10694.4 Ų94.456%0.55547%0.469SS*.Hα-helixtrans-67.4-39.2-176.9-167.1150.2000111.5E142 Q143 S149 Q150E142-L146 WeakPolarHBondContact O-CB 3.35Å; E142-L146 PolarHBondContact O-N 3.29Å; Q143-L146 PolarHBondContact O-N 3.29Å; L146-S149 PolarHBondContact O-N 3.36Å; L146-Q150 HydrophobicContact CD2-CG 4.32Å; L146-Q150 WeakPolarHBondContact O-CG 3.47Å; L146-Q150 PolarHBondContact O-N 3.14Å
147H75.6Confident71.3Confident115 Ų11596.2 Ų96.253%0.53247%0.472SS..Hα-helixtrans-63.3-43.9172-175.556.6000112.1Q143 S149 Q150 I151Q143-H147 WeakPolarHBondContact O-CB 2.86Å; Q143-H147 PolarHBondContact O-N 3.47Å; H147-S149 VanDerWaalsContact C-N 3.29Å; H147-S149 PolarHBondContact O-N 3.21Å; H147-Q150 PolarHBondContact O-N 2.83Å; H147-I151 WeakPolarHBondContact O-CG1 3.48Å; H147-I151 PolarHBondContact O-N 2.8Å
148L70.7Confident71.2Confident118 Ų11893.2 Ų93.262%0.61846%0.463SS*.Hα-helixtrans-62.6-37.4175.9-154.177.9000111.8K144 Q145 I151 L152K144-L148 WeakPolarHBondContact O-CB 2.97Å; K144-L148 PolarHBondContact O-N 3.32Å; Q145-L148 PolarHBondContact O-N 3.18Å; L148-I151 PolarHBondContact O-N 2.89Å; L148-L152 WeakPolarHBondContact O-CB 3.31Å; L148-L152 PolarHBondContact O-N 3.44Å
149S70.7Confident70.9Confident61 Ų6196 Ų9643%0.42748%0.475SS..Hα-helixtrans-66.2-42175.3-169.20000112Q145 L146 H147 L152 E153Q145-S149 WeakPolarHBondContact O-CB 3.22Å; Q145-S149 PolarHBondContact O-N 3.4Å; L146-S149 PolarHBondContact O-N 3.36Å; H147-S149 VanDerWaalsContact C-N 3.29Å; H147-S149 PolarHBondContact O-N 3.21Å; S149-L152 PolarHBondContact O-N 2.93Å; S149-E153 PolarHBondContact O-N 2.99Å
150Q75.8Confident71.1Confident107 Ų10799.4 Ų99.450%0.548%0.484SS..Hα-helixtrans-62.3-45.4173.2-73.7175.4-12.400112.4L146 H147 L152 E153 T154L146-Q150 HydrophobicContact CD2-CG 4.32Å; L146-Q150 WeakPolarHBondContact O-CG 3.47Å; L146-Q150 PolarHBondContact O-N 3.14Å; H147-Q150 PolarHBondContact O-N 2.83Å; Q150-L152 VanDerWaalsContact C-N 3.3Å; Q150-L152 PolarHBondContact O-N 3.01Å; Q150-E153 PolarHBondContact O-N 2.86Å; Q150-T154 WeakPolarHBondContact O-CG2 3.4Å; Q150-T154 PolarHBondContact O-N 3.4Å; Q150-T154 PolarHBondContact O-OG1 3.38Å
151I72.7Confident71.1Confident78 Ų78100.3 Ų100.340%0.449%0.488SS..Hα-helixtrans-55.9-49.4174.1-69.8167000109.5H147 L148 E153 T154 E155H147-I151 WeakPolarHBondContact O-CG1 3.48Å; H147-I151 PolarHBondContact O-N 2.8Å; L148-I151 PolarHBondContact O-N 2.89Å; I151-E153 PolarHBondContact O-N 2.72Å; I151-T154 PolarHBondContact O-N 2.85Å; I151-T154 PolarHBondContact O-OG1 2.95Å; I151-E155 PolarHBondContact O-N 3.02Å
152L69.2Low70.7Confident62 Ų62105.5 Ų105.533%0.32550%0.5SS..Hα-helixtrans-66.7-36.1-177.1-159.8150.3000112.5L148 S149 Q150 Q156 Y749L148-L152 WeakPolarHBondContact O-CB 3.31Å; L148-L152 PolarHBondContact O-N 3.44Å; S149-L152 PolarHBondContact O-N 2.93Å; Q150-L152 VanDerWaalsContact C-N 3.3Å; Q150-L152 PolarHBondContact O-N 3.01Å; L152-Q156 HydrophobicContact CD2-CG 3.99Å; L152-Q156 VanDerWaalsContact CD2-NE2 3.3Å; L152-Q156 WeakPolarHBondContact O-CB 3.39Å; L152-Q156 WeakPolarHBondContact O-CG 3.4Å; L152-Q156 PolarHBondContact O-N 3.27Å; L152-Y749 HydrophobicContact CD1-CE1 3.97Å; L152-Y749 HydrophobicContact CD2-CE1 3.95Å; L152-Y749 WeakPolarHBondContact CD2-OH 3.39Å
153E72.5Confident70.5Confident89 Ų89104.4 Ų104.442%0.41650%0.499SS..Hα-helixtrans-60.8-41.9168.3-80.8-152.3132.800112.2S149 Q150 I151 Q156 R157S149-E153 PolarHBondContact O-N 2.99Å; Q150-E153 PolarHBondContact O-N 2.86Å; I151-E153 PolarHBondContact O-N 2.72Å; E153-Q156 PolarHBondContact O-N 3.49Å; E153-R157 WeakPolarHBondContact O-CB 3.48Å; E153-R157 VanDerWaalsContact O-CG 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.49Å; E153-R157 PolarHBondContact O-N 2.99Å; E153-R157 IonicContact OE1-CZ 3.83Å; E153-R157 IonicContact OE1-NH2 3.81Å; E153-R157 PolarHBondContact OE1-NH2 3Å; E153-R157 IonicContact OE2-CZ 3.1Å; E153-R157 IonicContact OE2-NH1 3.3Å; E153-R157 PolarHBondContact OE2-NH1 3.48Å; E153-R157 IonicContact OE2-NH2 2.83Å; E153-R157 PolarHBondContact OE2-NH2 3.41Å
154T71.9Confident70.5Confident77 Ų77101.1 Ų101.147%0.47248%0.482SS..Hα-helixtrans-68.8-39.217960.80000112.3Q150 I151 R157 A158Q150-T154 WeakPolarHBondContact O-CG2 3.4Å; Q150-T154 PolarHBondContact O-N 3.4Å; Q150-T154 PolarHBondContact O-OG1 3.38Å; I151-T154 PolarHBondContact O-N 2.85Å; I151-T154 PolarHBondContact O-OG1 2.95Å; T154-R157 PolarHBondContact O-N 3.28Å; T154-A158 VanDerWaalsContact O-CB 3.32Å; T154-A158 WeakPolarHBondContact O-CB 3.47Å; T154-A158 PolarHBondContact O-N 3.33Å
155E62.4Low70.3Confident136 Ų136100.1 Ų100.164%0.63648%0.48SS*.Hα-helixtrans-56.4-49167.9-93.7-89119.900111.4I151 A158 K159I151-E155 PolarHBondContact O-N 3.02Å; E155-A158 PolarHBondContact O-N 3.21Å; E155-K159 VanDerWaalsContact O-CB 3.23Å; E155-K159 WeakPolarHBondContact O-CB 3.39Å; E155-K159 PolarHBondContact O-N 3.48Å
156Q70.9Confident69.9Low99 Ų99101.4 Ų101.446%0.46349%0.488SS..Hα-helixtrans-64.2-42178.1-77.2-171.87.800112.5L152 E153 K159 W160 Y749L152-Q156 HydrophobicContact CD2-CG 3.99Å; L152-Q156 VanDerWaalsContact CD2-NE2 3.3Å; L152-Q156 WeakPolarHBondContact O-CB 3.39Å; L152-Q156 WeakPolarHBondContact O-CG 3.4Å; L152-Q156 PolarHBondContact O-N 3.27Å; E153-Q156 PolarHBondContact O-N 3.49Å; Q156-K159 PolarHBondContact O-N 2.94Å; Q156-W160 WeakPolarHBondContact O-CB 3.42Å; Q156-W160 PolarHBondContact O-N 2.96Å; Q156-Y749 PolarHBondContact NE2-OH 3.34Å
157R73.7Confident69.6Low132 Ų132102.3 Ų102.350%0.49849%0.489SS..Hα-helixtrans-63.8-45175.7-73.8175.4-175.4120.212.2111.3E153 T154 W160 H161E153-R157 WeakPolarHBondContact O-CB 3.48Å; E153-R157 VanDerWaalsContact O-CG 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.49Å; E153-R157 PolarHBondContact O-N 2.99Å; E153-R157 IonicContact OE1-CZ 3.83Å; E153-R157 IonicContact OE1-NH2 3.81Å; E153-R157 PolarHBondContact OE1-NH2 3Å; E153-R157 IonicContact OE2-CZ 3.1Å; E153-R157 IonicContact OE2-NH1 3.3Å; E153-R157 PolarHBondContact OE2-NH1 3.48Å; E153-R157 IonicContact OE2-NH2 2.83Å; E153-R157 PolarHBondContact OE2-NH2 3.41Å; T154-R157 PolarHBondContact O-N 3.28Å; R157-W160 PolarHBondContact O-N 2.97Å; R157-H161 PolarHBondContact O-CD2 2.99Å; R157-H161 PolarHBondContact O-N 2.87Å
158A65Low69.4Low45 Ų45101.8 Ų101.837%0.37249%0.487SS..Hα-helixtrans-61.3-46.7175.500000111.6T154 E155 W160 H161 Y162T154-A158 VanDerWaalsContact O-CB 3.32Å; T154-A158 WeakPolarHBondContact O-CB 3.47Å; T154-A158 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3.21Å; A158-W160 VanDerWaalsContact C-N 3.35Å; A158-W160 PolarHBondContact O-N 3.47Å; A158-H161 PolarHBondContact O-N 3.03Å; A158-Y162 WeakPolarHBondContact O-CD2 2.79Å; A158-Y162 PolarHBondContact O-N 2.6Å
159K67.2Low69.3Low147 Ų14797.7 Ų97.764%0.63947%0.465SS*.Hα-helixtrans-58.5-43.4174.5-176.7180177.8-177.20111.9E155 Q156 Y162 V163E155-K159 VanDerWaalsContact O-CB 3.23Å; E155-K159 WeakPolarHBondContact O-CB 3.39Å; E155-K159 PolarHBondContact O-N 3.48Å; Q156-K159 PolarHBondContact O-N 2.94Å; K159-Y162 PolarHBondContact O-N 3.06Å; K159-V163 WeakPolarHBondContact O-CG2 3.37Å; K159-V163 PolarHBondContact O-N 3.4Å
160W72.6Confident69.4Low157 Ų15797.8 Ų97.860%0.59546%0.463SS*.Hα-helixtrans-65.6-42.5177.3-172.885.9000112.1Q156 R157 A158 Y162 V163 K164Q156-W160 WeakPolarHBondContact O-CB 3.42Å; Q156-W160 PolarHBondContact O-N 2.96Å; R157-W160 PolarHBondContact O-N 2.97Å; A158-W160 VanDerWaalsContact C-N 3.35Å; A158-W160 PolarHBondContact O-N 3.47Å; W160-Y162 VanDerWaalsContact C-N 3.32Å; W160-Y162 PolarHBondContact O-N 3.35Å; W160-V163 PolarHBondContact O-N 2.83Å; W160-K164 HydrophobicContact CE3-CD 4.46Å; W160-K164 HydrophobicContact CH2-CD 3.47Å; W160-K164 VanDerWaalsContact CH2-CD 3.47Å; W160-K164 HydrophobicContact CZ2-CD 3.95Å; W160-K164 HydrophobicContact CZ3-CD 3.75Å; W160-K164 WeakPolarHBondContact O-CB 3.4Å; W160-K164 PolarHBondContact O-N 3.43Å
161H66.1Low69.3Low110 Ų11095.4 Ų95.451%0.50946%0.462SS..Hα-helixtrans-60.1-39.7172.5-80.6-66.6000112.3R157 A158 Q165R157-H161 PolarHBondContact O-CD2 2.99Å; R157-H161 PolarHBondContact O-N 2.87Å; A158-H161 PolarHBondContact O-N 3.03Å; H161-Q165 WeakPolarHBondContact O-CB 3.42Å; H161-Q165 WeakPolarHBondContact O-CG 3.46Å; H161-Q165 PolarHBondContact O-N 3.34Å
162Y57.7Low69.2Low152 Ų15296.4 Ų96.460%0.59647%0.465SS*.Hα-helixtrans-68.3-39.8173.8-75.4-56.3000113.3A158 K159 W160 Q165 I166A158-Y162 WeakPolarHBondContact O-CD2 2.79Å; A158-Y162 PolarHBondContact O-N 2.6Å; K159-Y162 PolarHBondContact O-N 3.06Å; W160-Y162 VanDerWaalsContact C-N 3.32Å; W160-Y162 PolarHBondContact O-N 3.35Å; Y162-Q165 PolarHBondContact O-N 2.97Å; Y162-I166 VanDerWaalsContact O-CG1 3.29Å; Y162-I166 WeakPolarHBondContact O-CG1 3.31Å; Y162-I166 PolarHBondContact O-N 2.84Å
163V68.9Low69Low65 Ų6595.1 Ų95.139%0.39446%0.458SS..Hα-helixtrans-62.9-47.2174.8170.10000110.3K159 W160 Q165 I166 E167K159-V163 WeakPolarHBondContact O-CG2 3.37Å; K159-V163 PolarHBondContact O-N 3.4Å; W160-V163 PolarHBondContact O-N 2.83Å; V163-Q165 PolarHBondContact O-N 2.84Å; V163-I166 CarbonylContact O-C 3.54Å; V163-I166 WeakPolarHBondContact O-CA 3.47Å; V163-I166 WeakPolarHBondContact O-CB 3.35Å; V163-I166 PolarHBondContact O-N 3.43Å; V163-E167 HydrophobicContact CG1-CG 4.45Å; V163-E167 PolarHBondContact O-N 2.88Å
164K72Confident68.9Low79 Ų7998 Ų9834%0.34347%0.47SS..Hα-helixtrans-62-40178-171.6165.3-175.3-70.50112.6W160 I166 E167 E168W160-K164 HydrophobicContact CE3-CD 4.46Å; W160-K164 HydrophobicContact CH2-CD 3.47Å; W160-K164 VanDerWaalsContact CH2-CD 3.47Å; W160-K164 HydrophobicContact CZ2-CD 3.95Å; W160-K164 HydrophobicContact CZ3-CD 3.75Å; W160-K164 WeakPolarHBondContact O-CB 3.4Å; W160-K164 PolarHBondContact O-N 3.43Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 2.94Å; K164-E167 PolarHBondContact O-N 3.25Å; K164-E168 IonicContact NZ-OE1 3.59Å; K164-E168 PolarHBondContact NZ-OE1 3.29Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.35Å; K164-E168 PolarHBondContact O-N 3.4Å
165Q66.5Low68.9Low104 Ų104100.2 Ų100.249%0.48647%0.474SS..Hα-helixtrans-61.9-38.2170.5-77.2-179.517.900112.2H161 Y162 V163 L169H161-Q165 WeakPolarHBondContact O-CB 3.42Å; H161-Q165 WeakPolarHBondContact O-CG 3.46Å; H161-Q165 PolarHBondContact O-N 3.34Å; Y162-Q165 PolarHBondContact O-N 2.97Å; V163-Q165 PolarHBondContact O-N 2.84Å; Q165-L169 VanDerWaalsContact O-CB 3.29Å; Q165-L169 WeakPolarHBondContact O-CB 3.28Å; Q165-L169 WeakPolarHBondContact O-CD1 3.34Å; Q165-L169 WeakPolarHBondContact O-CG 3.32Å; Q165-L169 PolarHBondContact O-N 3.37Å
166I68.3Low69Low91 Ų9196.8 Ų96.847%0.46746%0.46SS..Hα-helixtrans-68-38.2176.2-70.6164.9000111Y162 V163 K164 T170Y162-I166 VanDerWaalsContact O-CG1 3.29Å; Y162-I166 WeakPolarHBondContact O-CG1 3.31Å; Y162-I166 PolarHBondContact O-N 2.84Å; V163-I166 CarbonylContact O-C 3.54Å; V163-I166 WeakPolarHBondContact O-CA 3.47Å; V163-I166 WeakPolarHBondContact O-CB 3.35Å; V163-I166 PolarHBondContact O-N 3.43Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 2.94Å; I166-T170 WeakPolarHBondContact O-CB 3.34Å; I166-T170 PolarHBondContact O-N 2.81Å; I166-T170 PolarHBondContact O-OG1 3.49Å
167E71.2Confident68.7Low125 Ų12599 Ų9958%0.58447%0.468SS*.Hα-helixtrans-67.4-47.6176.1-71.1179.8154.500112.1V163 K164 L169 T170 A171V163-E167 HydrophobicContact CG1-CG 4.45Å; V163-E167 PolarHBondContact O-N 2.88Å; K164-E167 PolarHBondContact O-N 3.25Å; E167-L169 PolarHBondContact O-N 2.81Å; E167-T170 CarbonylContact O-C 3.45Å; E167-T170 PolarHBondContact O-N 2.6Å; E167-T170 VanDerWaalsContact O-N 3.07Å; E167-A171 PolarHBondContact O-N 3.38Å
168E72.2Confident68.4Low103 Ų103101.3 Ų101.348%0.48148%0.478SS..Hα-helixtrans-57.8-46.9175.6-74.1170.1170.700111.2K164 T170 A171 E172K164-E168 IonicContact NZ-OE1 3.59Å; K164-E168 PolarHBondContact NZ-OE1 3.29Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.35Å; K164-E168 PolarHBondContact O-N 3.4Å; E168-T170 VanDerWaalsContact C-N 3.31Å; E168-T170 PolarHBondContact O-N 3.4Å; E168-A171 PolarHBondContact O-N 2.57Å; E168-E172 PolarHBondContact O-N 3.08Å
169L68.9Low68.6Low32 Ų32103 Ų10317%0.16848%0.479CS..Hα-helixtrans-69.2-26.6175.5-65.5174.2000113.1Q165 E167 E172 I173 F209Q165-L169 VanDerWaalsContact O-CB 3.29Å; Q165-L169 WeakPolarHBondContact O-CB 3.28Å; Q165-L169 WeakPolarHBondContact O-CD1 3.34Å; Q165-L169 WeakPolarHBondContact O-CG 3.32Å; Q165-L169 PolarHBondContact O-N 3.37Å; E167-L169 PolarHBondContact O-N 2.81Å; L169-E172 VanDerWaalsContact CD2-OE2 3.31Å; L169-E172 WeakPolarHBondContact CD2-OE2 3.43Å; L169-I173 VanDerWaalsContact O-CB 3.31Å; L169-I173 WeakPolarHBondContact O-CB 3.45Å; L169-I173 WeakPolarHBondContact O-CD1 3.43Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.16Å; L169-F209 HydrophobicContact CD1-CE1 3.92Å; L169-F209 HydrophobicContact CD1-CZ 3.83Å; L169-F209 HydrophobicContact CD2-CE1 3.66Å; L169-F209 HydrophobicContact CD2-CE2 4.44Å; L169-F209 HydrophobicContact CD2-CZ 3.41Å; L169-F209 VanDerWaalsContact CD2-CZ 3.41Å; L169-F209 HydrophobicContact CG-CE1 4.34Å; L169-F209 HydrophobicContact CG-CZ 4.26Å
170T72.4Confident68.3Low63 Ų63102.7 Ų102.739%0.38748%0.477SS..Hα-helixtrans-76.1-34.1174.7-61.50000111.4I166 E167 E168 K174I166-T170 WeakPolarHBondContact O-CB 3.34Å; I166-T170 PolarHBondContact O-N 2.81Å; I166-T170 PolarHBondContact O-OG1 3.49Å; E167-T170 CarbonylContact O-C 3.45Å; E167-T170 PolarHBondContact O-N 2.6Å; E167-T170 VanDerWaalsContact O-N 3.07Å; E168-T170 VanDerWaalsContact C-N 3.31Å; E168-T170 PolarHBondContact O-N 3.4Å; T170-K174 WeakPolarHBondContact O-CG 3.45Å; T170-K174 PolarHBondContact O-N 2.88Å
171A73.4Confident67.4Low58 Ų5899.7 Ų99.748%0.47947%0.473SS..Hα-helixtrans-66.3-46.3169.600000111E167 E168 I173 K174 Q175E167-A171 PolarHBondContact O-N 3.38Å; E168-A171 PolarHBondContact O-N 2.57Å; A171-I173 PolarHBondContact O-N 3.46Å; A171-K174 WeakPolarHBondContact O-CB 3.2Å; A171-K174 PolarHBondContact O-N 3.12Å; A171-K174 VanDerWaalsContact O-N 3.08Å; A171-Q175 PolarHBondContact O-N 3.15Å
172E69.8Low66.7Low99 Ų99100.2 Ų100.246%0.46348%0.475SS..Hα-helixtrans-58.8-44.2174.2-168.3-177.8-158.700111.3E168 L169 K174 Q175 L176E168-E172 PolarHBondContact O-N 3.08Å; L169-E172 VanDerWaalsContact CD2-OE2 3.31Å; L169-E172 WeakPolarHBondContact CD2-OE2 3.43Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 2.99Å; E172-Q175 PolarHBondContact O-N 3.42Å; E172-L176 HydrophobicContact CG-CD1 3.97Å; E172-L176 HydrophobicContact CG-CG 4.39Å; E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.37Å; E172-L176 VanDerWaalsContact O-CG 3.29Å; E172-L176 WeakPolarHBondContact O-CG 3.31Å; E172-L176 PolarHBondContact O-N 3.47Å
173I65.2Low66.3Low34 Ų3496.7 Ų96.717%0.17446%0.462CS..Hα-helixtrans-64-34.5174.3-73.5165.2000112.2L169 A171 K177 F210L169-I173 VanDerWaalsContact O-CB 3.31Å; L169-I173 WeakPolarHBondContact O-CB 3.45Å; L169-I173 WeakPolarHBondContact O-CD1 3.43Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.16Å; A171-I173 PolarHBondContact O-N 3.46Å; I173-K177 HydrophobicContact CG2-CD 4.33Å; I173-K177 VanDerWaalsContact O-CB 3.27Å; I173-K177 WeakPolarHBondContact O-CB 3.25Å; I173-K177 VanDerWaalsContact O-CG 3.22Å; I173-K177 WeakPolarHBondContact O-CG 3.23Å; I173-K177 PolarHBondContact O-N 3.29Å; I173-F210 HydrophobicContact CD1-CE2 4.17Å; I173-F210 HydrophobicContact CD1-CZ 3.79Å; I173-F210 HydrophobicContact CG1-CE2 4.11Å; I173-F210 HydrophobicContact CG1-CZ 4.08Å; I173-F210 HydrophobicContact CG2-CZ 4.35Å
174K70.2Confident65Low151 Ų151101.8 Ų101.866%0.65747%0.474SS*.Hα-helixtrans-68.2-43.6173.5-82.7-178.4176.3-179.10111.7T170 A171 E172 K177 Y178T170-K174 WeakPolarHBondContact O-CG 3.45Å; T170-K174 PolarHBondContact O-N 2.88Å; A171-K174 WeakPolarHBondContact O-CB 3.2Å; A171-K174 PolarHBondContact O-N 3.12Å; A171-K174 VanDerWaalsContact O-N 3.08Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 2.99Å; K174-K177 WeakPolarHBondContact O-CB 3.15Å; K174-K177 PolarHBondContact O-N 2.75Å; K174-Y178 PolarHBondContact O-N 3.3Å
175Q72.1Confident63.8Low123 Ų123104 Ų10458%0.57549%0.488SS*.Hα-helixtrans-67-47.9178.9-175.4172.1-2400111.4A171 E172 K177 Y178 E179A171-Q175 PolarHBondContact O-N 3.15Å; E172-Q175 PolarHBondContact O-N 3.42Å; Q175-K177 PolarHBondContact O-N 3.46Å; Q175-Y178 WeakPolarHBondContact O-CA 3.41Å; Q175-Y178 WeakPolarHBondContact O-CB 3.36Å; Q175-Y178 PolarHBondContact O-N 2.85Å; Q175-E179 PolarHBondContact NE2-OE1 2.88Å; Q175-E179 VanDerWaalsContact NE2-OE1 3.12Å; Q175-E179 PolarHBondContact O-N 2.91Å
176L64.3Low62.7Low64 Ų64105 Ų10534%0.33550%0.497SS..Hα-helixtrans-59.7-31.9173.2-71.6171.9000112.5E172 F180E172-L176 HydrophobicContact CG-CD1 3.97Å; E172-L176 HydrophobicContact CG-CG 4.39Å; E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.37Å; E172-L176 VanDerWaalsContact O-CG 3.29Å; E172-L176 WeakPolarHBondContact O-CG 3.31Å; E172-L176 PolarHBondContact O-N 3.47Å; L176-F180 WeakPolarHBondContact O-CB 3.49Å; L176-F180 PolarHBondContact O-N 3.44Å
177K65.5Low61.4Low146 Ų146107.9 Ų107.964%0.63550%0.502SS*.Hα-helixtrans-69.2-32.7171-84.6178.6176.1-172.10113I173 K174 Q175 N181I173-K177 HydrophobicContact CG2-CD 4.33Å; I173-K177 VanDerWaalsContact O-CB 3.27Å; I173-K177 WeakPolarHBondContact O-CB 3.25Å; I173-K177 VanDerWaalsContact O-CG 3.22Å; I173-K177 WeakPolarHBondContact O-CG 3.23Å; I173-K177 PolarHBondContact O-N 3.29Å; K174-K177 WeakPolarHBondContact O-CB 3.15Å; K174-K177 PolarHBondContact O-N 2.75Å; Q175-K177 PolarHBondContact O-N 3.46Å; K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 PolarHBondContact O-N 3.3Å
178Y67.6Low59.6Low179 Ų179112.7 Ų112.770%0.70252%0.515SS*.Hα-helixtrans-71.6-51.8176.7-134.8-83.9000110.5K174 Q175 F180 N181 E182K174-Y178 PolarHBondContact O-N 3.3Å; Q175-Y178 WeakPolarHBondContact O-CA 3.41Å; Q175-Y178 WeakPolarHBondContact O-CB 3.36Å; Q175-Y178 PolarHBondContact O-N 2.85Å; Y178-F180 VanDerWaalsContact C-N 3.31Å; Y178-F180 PolarHBondContact O-N 2.96Å; Y178-N181 WeakPolarHBondContact O-CA 3.41Å; Y178-N181 WeakPolarHBondContact O-CB 3.39Å; Y178-N181 PolarHBondContact O-N 3.29Å; Y178-E182 PolarHBondContact O-N 3.41Å; Y178-E182 VanDerWaalsContact O-N 3.11Å
179E69.5Low57.7Low82 Ų82116.1 Ų116.138%0.38353%0.528SS..Hα-helixtrans-56.7-42.6174.4-68174.9-161.600111.4Q175 N181 E182 Y183Q175-E179 PolarHBondContact NE2-OE1 2.88Å; Q175-E179 VanDerWaalsContact NE2-OE1 3.12Å; Q175-E179 PolarHBondContact O-N 2.91Å; E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.9Å; E179-E182 PolarHBondContact O-N 3.25Å; E179-Y183 WeakPolarHBondContact O-CB 3.23Å; E179-Y183 WeakPolarHBondContact O-CD2 3.37Å; E179-Y183 PolarHBondContact O-N 2.89Å
180F59.3Low55.8Low140 Ų140122 Ų12261%0.61456%0.56SS**Hα-helixtrans-66.2-25.1175.7-172.1-94.2000113.1L176 Y178 R184L176-F180 WeakPolarHBondContact O-CB 3.49Å; L176-F180 PolarHBondContact O-N 3.44Å; Y178-F180 VanDerWaalsContact C-N 3.31Å; Y178-F180 PolarHBondContact O-N 2.96Å; F180-R184 WeakPolarHBondContact O-CB 3.41Å; F180-R184 PolarHBondContact O-N 3.42Å
181N53.9Low53.9Low93 Ų93126.9 Ų126.950%0.49758%0.583SS.*Hα-helixtrans-79.8-38.8178-138.522.7000111.5K177 Y178 E179 R184 I185K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 PolarHBondContact O-N 3.3Å; Y178-N181 WeakPolarHBondContact O-CA 3.41Å; Y178-N181 WeakPolarHBondContact O-CB 3.39Å; Y178-N181 PolarHBondContact O-N 3.29Å; E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.9Å; N181-R184 PolarHBondContact O-N 3.07Å; N181-R184 VanDerWaalsContact O-N 3.16Å; N181-I185 PolarHBondContact O-N 2.84Å
182E52.1Low51.7Low121 Ų121131.7 Ų131.757%0.56560%0.595SS**Hα-helixtrans-58.7-52168.1-70.8-174.1121.900110.6Y178 E179 R184 I185 D186Y178-E182 PolarHBondContact O-N 3.41Å; Y178-E182 VanDerWaalsContact O-N 3.11Å; E179-E182 PolarHBondContact O-N 3.25Å; E182-R184 PolarHBondContact O-N 2.85Å; E182-I185 WeakPolarHBondContact O-CB 3.18Å; E182-I185 PolarHBondContact O-N 2.86Å; E182-D186 PolarHBondContact O-N 2.99Å
183Y48.4Very low50Low79 Ų79131.4 Ų131.431%0.3160%0.597SS.*Hα-helixtrans-60.3-11.3175.2-95.8-91.5000114.9E179 R187 E199 Y1751E179-Y183 WeakPolarHBondContact O-CB 3.23Å; E179-Y183 WeakPolarHBondContact O-CD2 3.37Å; E179-Y183 PolarHBondContact O-N 2.89Å; Y183-R187 WeakPolarHBondContact O-CG 3.43Å; Y183-E199 VanDerWaalsContact CE1-OE1 3.32Å; Y183-E199 WeakPolarHBondContact CE1-OE1 3.18Å; Y183-Y1751 HydrophobicContact CE1-CE2 4.43Å; Y183-Y1751 WeakPolarHBondContact OH-CE2 3.41Å; Y183-Y1751 PolarHBondContact OH-OH 3.27Å; Y183-Y1751 VanDerWaalsContact OH-OH 3.06Å
184R42.2Very low48.1Very low172 Ų172133 Ų13365%0.64960%0.603SS**Hα-helixtrans-96.4-13.8174.2-149.5179.280.9115.92.6113.3F180 N181 E182F180-R184 WeakPolarHBondContact O-CB 3.41Å; F180-R184 PolarHBondContact O-N 3.42Å; N181-R184 PolarHBondContact O-N 3.07Å; N181-R184 VanDerWaalsContact O-N 3.16Å; E182-R184 PolarHBondContact O-N 2.85Å
185I47.2Very low46.2Very low124 Ų124128.2 Ų128.264%0.63659%0.589SS**Hα-helixtrans-79.8-47.5171.5-67.5168000109.1N181 E182 R187 R188N181-I185 PolarHBondContact O-N 2.84Å; E182-I185 WeakPolarHBondContact O-CB 3.18Å; E182-I185 PolarHBondContact O-N 2.86Å; I185-R187 PolarHBondContact O-N 3.4Å; I185-R188 PolarHBondContact O-N 3.26Å
186D43.4Very low44.2Very low126 Ų126130.5 Ų130.567%0.67460%0.599SS**Hα-helixtrans-65.8-33.3-177.2-68.5-23000113.8E182 R188E182-D186 PolarHBondContact O-N 2.99Å; D186-R188 PolarHBondContact O-N 2.99Å
187R39.8Very low42.9Very low151 Ų151129.8 Ų129.857%0.5760%0.6SS**THydrogen-bonded Turntrans-72.713.4178.7-69.6-168.5-151.9-116.2-3.3115.1Y183 I185 F189 E199Y183-R187 WeakPolarHBondContact O-CG 3.43Å; I185-R187 PolarHBondContact O-N 3.4Å; R187-F189 VanDerWaalsContact C-N 3.33Å; R187-E199 IonicContact CZ-OE1 2.72Å; R187-E199 IonicContact CZ-OE2 2.81Å; R187-E199 IonicContact NH1-OE2 3.7Å; R187-E199 PolarHBondContact NH1-OE2 3.42Å; R187-E199 VanDerWaalsContact NH1-OE2 3.1Å; R187-E199 IonicContact NH2-OE1 3.58Å; R187-E199 PolarHBondContact NH2-OE1 3.45Å; R187-E199 IonicContact NH2-OE2 2.68Å; R187-E199 PolarHBondContact NH2-OE2 3.26Å
188R33.4Very low42Very low226 Ų226128.1 Ų128.185%0.85359%0.594SS**THydrogen-bonded Turntrans-85.1-5.4172.3-129.7178.2-171-174.32114.1I185 D186I185-R188 PolarHBondContact O-N 3.26Å; D186-R188 PolarHBondContact O-N 2.99Å
189F33.4Very low41.1Very low175 Ų175122.1 Ų122.177%0.76857%0.573SS**SBendtrans-121.1136.6167.3-82-89.7000111.7R187R187-F189 VanDerWaalsContact C-N 3.33Å
190N28.2Very low40.2Very low157 Ų157121.7 Ų121.784%0.8457%0.573SS**  trans65.6133.9171.2-56.9-14.9000117.6
191L33.2Very low40.4Very low165 Ų165122.8 Ų122.886%0.86457%0.573SS**  trans-153.284-178.6-143.4-177.8000110.7
192E27.7Very low40.8Very low159 Ų159124.5 Ų124.574%0.74358%0.576SS**  trans-153.867.1168.3-130.1163.3-158.800115.7
193L33.1Very low41.4Very low93 Ų93122.4 Ų122.449%0.48757%0.568SS.*  trans76.9148.3143.6-60.1154.3000120.9S1746 Q1748L193-S1746 VanDerWaalsContact CD1-N 3.26Å; L193-Q1748 PolarHBondContact O-N 2.99Å
194E26.2Very low41.9Very low67 Ų67124.6 Ų124.631%0.31358%0.579SS.*  trans65.4148.4-163.5151.698.9-159.200116.5I1747 Q1748E194-I1747 HydrophobicContact CB-CB 3.52Å; E194-I1747 HydrophobicContact CB-CD1 3.74Å; E194-I1747 HydrophobicContact CB-CG1 3.22Å; E194-I1747 HydrophobicContact CB-CG2 3.54Å; E194-I1747 HydrophobicContact CG-CB 4.31Å; E194-I1747 HydrophobicContact CG-CG1 4.38Å; E194-I1747 HydrophobicContact CG-CG2 3.78Å; E194-Q1748 VanDerWaalsContact CG-CA 3.4Å; E194-Q1748 HydrophobicContact CG-CB 3.89Å; E194-Q1748 HydrophobicContact CG-CG 4.42Å; E194-Q1748 VanDerWaalsContact CG-NE2 3.3Å; E194-Q1748 PolarHBondContact OE1-NE2 3.29Å
195S29Very low43Very low50 Ų50123.8 Ų123.835%0.3558%0.58SS.*  cis-88170-0.1-25.10000115.2S197S195-S197 PolarHBondContact O-N 3.23Å
196E31.3Very low43.9Very low171 Ų171120.8 Ų120.880%0.79957%0.567SS**  trans-63.667.9139.2-81.9-142.1106.400108.3
197S37.5Very low44.6Very low50 Ų50119.1 Ų119.135%0.3556%0.555SS.*  trans-88.3167.1-161-165.30000112S195 E199 L200S195-S197 PolarHBondContact O-N 3.23Å; S197-E199 PolarHBondContact O-N 2.97Å; S197-L200 PolarHBondContact O-N 3.34Å
198E46.3Very low45.5Very low111 Ų111115.8 Ų115.852%0.51956%0.555SS.*Hα-helixtrans-47.4-32.1178-141.567.5-118.700112.6L200 R201 K202E198-L200 PolarHBondContact O-N 2.66Å; E198-R201 WeakPolarHBondContact O-CB 3.43Å; E198-R201 PolarHBondContact O-N 2.7Å; E198-R201 IonicContact OE1-CZ 3.81Å; E198-R201 IonicContact OE1-NH1 3.81Å; E198-R201 PolarHBondContact OE1-NH1 3.05Å; E198-K202 PolarHBondContact O-N 2.72Å
199E47.5Very low47.2Very low52 Ų52109.2 Ų109.224%0.24353%0.533CS..Hα-helixtrans-54.5-45.7174.7-58.7-157.2130.300113.8Y183 R187 S197 R201 K202 I203Y183-E199 VanDerWaalsContact CE1-OE1 3.32Å; Y183-E199 WeakPolarHBondContact CE1-OE1 3.18Å; R187-E199 IonicContact CZ-OE1 2.72Å; R187-E199 IonicContact CZ-OE2 2.81Å; R187-E199 IonicContact NH1-OE2 3.7Å; R187-E199 PolarHBondContact NH1-OE2 3.42Å; R187-E199 VanDerWaalsContact NH1-OE2 3.1Å; R187-E199 IonicContact NH2-OE1 3.58Å; R187-E199 PolarHBondContact NH2-OE1 3.45Å; R187-E199 IonicContact NH2-OE2 2.68Å; R187-E199 PolarHBondContact NH2-OE2 3.26Å; S197-E199 PolarHBondContact O-N 2.97Å; E199-R201 PolarHBondContact O-N 3.08Å; E199-K202 CarbonylContact O-C 3.55Å; E199-K202 WeakPolarHBondContact O-CB 3.05Å; E199-K202 PolarHBondContact O-N 3.29Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-I203 WeakPolarHBondContact O-CG1 3.18Å; E199-I203 PolarHBondContact O-N 3.17Å
200L51.9Low48.3Very low73 Ų73104.8 Ų104.838%0.38251%0.514SS..Hα-helixtrans-68.1-28.3-177.5-161.371.7000110.8S197 E198 K204S197-L200 PolarHBondContact O-N 3.34Å; E198-L200 PolarHBondContact O-N 2.66Å; L200-K204 HydrophobicContact CG-CD 4.44Å; L200-K204 VanDerWaalsContact O-CB 3.28Å; L200-K204 WeakPolarHBondContact O-CB 3.31Å; L200-K204 WeakPolarHBondContact O-CD 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.45Å; L200-K204 PolarHBondContact O-N 3.23Å
201R62.6Low50.1Low163 Ų163104.9 Ų104.962%0.61550%0.502SS*.Hα-helixtrans-74.7-37.4171.8-171.8-177.6-81.6153-8.7111.7E198 E199 K205E198-R201 WeakPolarHBondContact O-CB 3.43Å; E198-R201 PolarHBondContact O-N 2.7Å; E198-R201 IonicContact OE1-CZ 3.81Å; E198-R201 IonicContact OE1-NH1 3.81Å; E198-R201 PolarHBondContact OE1-NH1 3.05Å; E199-R201 PolarHBondContact O-N 3.08Å; R201-K205 PolarHBondContact O-N 3.39Å
202K61.4Low51.5Low130 Ų13098.1 Ų98.157%0.56547%0.473SS*.Hα-helixtrans-62.3-49.7170.2-70.2-178.6179.7-177.40111.5E198 E199 K204 K205 V206E198-K202 PolarHBondContact O-N 2.72Å; E199-K202 CarbonylContact O-C 3.55Å; E199-K202 WeakPolarHBondContact O-CB 3.05Å; E199-K202 PolarHBondContact O-N 3.29Å; E199-K202 VanDerWaalsContact O-N 3.1Å; K202-K204 PolarHBondContact O-N 2.67Å; K202-K205 WeakPolarHBondContact O-CA 3.5Å; K202-K205 WeakPolarHBondContact O-CB 3.43Å; K202-K205 PolarHBondContact O-N 3.48Å; K202-K205 VanDerWaalsContact O-N 3.1Å; K202-V206 PolarHBondContact O-N 2.73Å
203I65.1Low53.5Low77 Ų7793.5 Ų93.540%0.39545%0.449SS..Hα-helixtrans-60.9-44.6178.2-67165.5000110.7E199 K205 V206 Q207E199-I203 WeakPolarHBondContact O-CG1 3.18Å; E199-I203 PolarHBondContact O-N 3.17Å; I203-K205 VanDerWaalsContact C-N 3.33Å; I203-K205 PolarHBondContact O-N 3.45Å; I203-V206 PolarHBondContact O-N 2.55Å; I203-Q207 HydrophobicContact CG2-CG 4.45Å; I203-Q207 WeakPolarHBondContact O-CB 3.19Å; I203-Q207 WeakPolarHBondContact O-CG 3.39Å; I203-Q207 PolarHBondContact O-N 3.23Å
204K59.9Low55Low124 Ų12493.8 Ų93.854%0.53945%0.45SS..Hα-helixtrans-63-35.4174.6-75.1168.5-178.4170.70112.3L200 K202 S208L200-K204 HydrophobicContact CG-CD 4.44Å; L200-K204 VanDerWaalsContact O-CB 3.28Å; L200-K204 WeakPolarHBondContact O-CB 3.31Å; L200-K204 WeakPolarHBondContact O-CD 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.45Å; L200-K204 PolarHBondContact O-N 3.23Å; K202-K204 PolarHBondContact O-N 2.67Å; K204-S208 WeakPolarHBondContact O-CB 2.94Å; K204-S208 PolarHBondContact O-N 3.1Å
205K64.9Low57Low156 Ų15694.8 Ų94.868%0.67846%0.463SS*.Hα-helixtrans-64.3-49.7170.8-84.4-174.3173.4-174.30112.3R201 K202 I203 Q207 S208 F209R201-K205 PolarHBondContact O-N 3.39Å; K202-K205 WeakPolarHBondContact O-CA 3.5Å; K202-K205 WeakPolarHBondContact O-CB 3.43Å; K202-K205 PolarHBondContact O-N 3.48Å; K202-K205 VanDerWaalsContact O-N 3.1Å; I203-K205 VanDerWaalsContact C-N 3.33Å; I203-K205 PolarHBondContact O-N 3.45Å; K205-Q207 PolarHBondContact O-N 2.78Å; K205-S208 WeakPolarHBondContact O-CB 3.31Å; K205-S208 PolarHBondContact O-N 3.35Å; K205-S208 VanDerWaalsContact O-N 3.15Å; K205-F209 PolarHBondContact O-N 2.95Å
206V65.7Low58.6Low60 Ų6099.5 Ų99.536%0.36447%0.474SS..Hα-helixtrans-62.8-42.3179.4175.30000111.2K202 I203 S208 F209 F210K202-V206 PolarHBondContact O-N 2.73Å; I203-V206 PolarHBondContact O-N 2.55Å; V206-S208 PolarHBondContact O-N 3.07Å; V206-F209 PolarHBondContact O-N 3.07Å; V206-F210 HydrophobicContact CG1-CD2 4.12Å; V206-F210 PolarHBondContact O-N 3.38Å
207Q58Low60.2Low92 Ų9298.8 Ų98.843%0.4346%0.464SS..Hα-helixtrans-64.6-37.1173.2-73.8-168.57.300113.1I203 K205 F209 R211I203-Q207 HydrophobicContact CG2-CG 4.45Å; I203-Q207 WeakPolarHBondContact O-CB 3.19Å; I203-Q207 WeakPolarHBondContact O-CG 3.39Å; I203-Q207 PolarHBondContact O-N 3.23Å; K205-Q207 PolarHBondContact O-N 2.78Å; Q207-F209 VanDerWaalsContact C-N 3.35Å; Q207-R211 WeakPolarHBondContact O-CB 3.4Å; Q207-R211 VanDerWaalsContact O-CG 3.27Å; Q207-R211 WeakPolarHBondContact O-CG 3.46Å; Q207-R211 PolarHBondContact O-N 3.43Å
208S59.4Low61.3Low81 Ų81104.7 Ų104.757%0.56648%0.478SS*.Hα-helixtrans-63.9-42.3173.6176.90000110.9K204 K205 V206 R211 G212K204-S208 WeakPolarHBondContact O-CB 2.94Å; K204-S208 PolarHBondContact O-N 3.1Å; K205-S208 WeakPolarHBondContact O-CB 3.31Å; K205-S208 PolarHBondContact O-N 3.35Å; K205-S208 VanDerWaalsContact O-N 3.15Å; V206-S208 PolarHBondContact O-N 3.07Å; S208-R211 PolarHBondContact O-N 2.85Å; S208-G212 PolarHBondContact O-N 2.79Å
209F68.1Low61.9Low87 Ų87107.8 Ų107.838%0.38249%0.485SS..Hα-helixtrans-65.7-46.9177.8-159.1-82.7000112.1L169 K205 V206 Q207 R211 G212 W213L169-F209 HydrophobicContact CD1-CE1 3.92Å; L169-F209 HydrophobicContact CD1-CZ 3.83Å; L169-F209 HydrophobicContact CD2-CE1 3.66Å; L169-F209 HydrophobicContact CD2-CE2 4.44Å; L169-F209 HydrophobicContact CD2-CZ 3.41Å; L169-F209 VanDerWaalsContact CD2-CZ 3.41Å; L169-F209 HydrophobicContact CG-CE1 4.34Å; L169-F209 HydrophobicContact CG-CZ 4.26Å; K205-F209 PolarHBondContact O-N 2.95Å; V206-F209 PolarHBondContact O-N 3.07Å; Q207-F209 VanDerWaalsContact C-N 3.35Å; F209-R211 PolarHBondContact O-N 2.86Å; F209-G212 PolarHBondContact O-N 3.16Å; F209-W213 WeakPolarHBondContact O-CB 3.24Å; F209-W213 PolarHBondContact O-N 2.7Å
210F58.1Low62.7Low83 Ų83111.5 Ų111.536%0.36450%0.501SS..Hα-helixtrans-61-41.6174.8-102.6-84.9000112.6I173 V206 W213 L214I173-F210 HydrophobicContact CD1-CE2 4.17Å; I173-F210 HydrophobicContact CD1-CZ 3.79Å; I173-F210 HydrophobicContact CG1-CE2 4.11Å; I173-F210 HydrophobicContact CG1-CZ 4.08Å; I173-F210 HydrophobicContact CG2-CZ 4.35Å; V206-F210 HydrophobicContact CG1-CD2 4.12Å; V206-F210 PolarHBondContact O-N 3.38Å; F210-W213 PolarHBondContact O-N 3.18Å; F210-L214 WeakPolarHBondContact O-CB 3.48Å; F210-L214 PolarHBondContact O-N 3.4Å
211R64.4Low63.3Low158 Ų158112.9 Ų112.960%0.59651%0.505SS*.Hα-helixtrans-60.6-46172.5-77.1174.6172113.4-1.5111.2Q207 S208 F209 W213 L214 C215Q207-R211 WeakPolarHBondContact O-CB 3.4Å; Q207-R211 VanDerWaalsContact O-CG 3.27Å; Q207-R211 WeakPolarHBondContact O-CG 3.46Å; Q207-R211 PolarHBondContact O-N 3.43Å; S208-R211 PolarHBondContact O-N 2.85Å; F209-R211 PolarHBondContact O-N 2.86Å; R211-W213 PolarHBondContact O-N 3.17Å; R211-L214 PolarHBondContact O-N 3.02Å; R211-C215 WeakPolarHBondContact O-CB 3.43Å; R211-C215 PolarHBondContact O-N 3.45Å; R211-C215 PolarHBondContact O-SG 2.9Å; R211-C215 VanDerWaalsContact O-SG 3.33Å
212G64.2Low63.5Low24 Ų24108.9 Ų108.925%0.24750%0.495CS..Hα-helixtrans-63.8-37.817700000114S208 F209 R216S208-G212 PolarHBondContact O-N 2.79Å; F209-G212 PolarHBondContact O-N 3.16Å; G212-R216 WeakPolarHBondContact O-CG 3.31Å; G212-R216 PolarHBondContact O-N 2.77Å
213W68.8Low63.8Low62 Ų62105.4 Ų105.424%0.23548%0.484CS..Hα-helixtrans-69.2-45.3175.8-178.989.3000112F209 F210 R211 C215 R216 R217F209-W213 WeakPolarHBondContact O-CB 3.24Å; F209-W213 PolarHBondContact O-N 2.7Å; F210-W213 PolarHBondContact O-N 3.18Å; R211-W213 PolarHBondContact O-N 3.17Å; W213-C215 PolarHBondContact O-N 3.43Å; W213-R216 PolarHBondContact O-N 3.02Å; W213-R217 WeakPolarHBondContact O-CB 3.5Å; W213-R217 PolarHBondContact O-N 2.82Å
214L63.9Low64Low99 Ų99104.9 Ų104.952%0.51848%0.48SS..Hα-helixtrans-59.5-43.8172.1-85.2161.2000111.7F210 R211 R217 R218F210-L214 WeakPolarHBondContact O-CB 3.48Å; F210-L214 PolarHBondContact O-N 3.4Å; R211-L214 PolarHBondContact O-N 3.02Å; L214-R217 PolarHBondContact O-N 3.28Å; L214-R218 VanDerWaalsContact O-CB 3.27Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 2.89Å
215C68.6Low64.2Low88 Ų88101.6 Ų101.660%0.59547%0.467SS*.Hα-helixtrans-60.2-45.6174.2-76.60000112.2R211 W213 W219R211-C215 WeakPolarHBondContact O-CB 3.43Å; R211-C215 PolarHBondContact O-N 3.45Å; R211-C215 PolarHBondContact O-SG 2.9Å; R211-C215 VanDerWaalsContact O-SG 3.33Å; W213-C215 PolarHBondContact O-N 3.43Å; C215-W219 VanDerWaalsContact O-CB 3.22Å; C215-W219 WeakPolarHBondContact O-CB 3.32Å; C215-W219 PolarHBondContact O-N 3.31Å
216R63.9Low64.3Low149 Ų149100.1 Ų100.156%0.56246%0.458SS*.Hα-helixtrans-64.5-42177-77.6-170.8-70.8-964.5112.8G212 W213 W219 K220G212-R216 WeakPolarHBondContact O-CG 3.31Å; G212-R216 PolarHBondContact O-N 2.77Å; W213-R216 PolarHBondContact O-N 3.02Å; R216-W219 PolarHBondContact O-N 3.43Å; R216-K220 PolarHBondContact O-N 3.42Å
217R64.4Low64.6Low156 Ų156101.8 Ų101.859%0.58946%0.464SS*.Hα-helixtrans-64.4-45.5177.7-172.3172.1178.8135.6-0.1111.6W213 L214 K220 Q221W213-R217 WeakPolarHBondContact O-CB 3.5Å; W213-R217 PolarHBondContact O-N 2.82Å; L214-R217 PolarHBondContact O-N 3.28Å; R217-K220 PolarHBondContact O-N 3.05Å; R217-Q221 PolarHBondContact O-N 3.31Å
218R61.4Low65.1Low174 Ų174105.6 Ų105.666%0.65747%0.474SS*.Hα-helixtrans-67.2-35.5175.9-170.8171.3-179.9151.20.7112.4L214 Q221 I222L214-R218 VanDerWaalsContact O-CB 3.27Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 2.89Å; R218-Q221 PolarHBondContact O-N 2.94Å; R218-I222 HydrophobicContact CG-CD1 4Å; R218-I222 VanDerWaalsContact O-CG1 3.29Å; R218-I222 WeakPolarHBondContact O-CG1 3.44Å; R218-I222 PolarHBondContact O-N 3.08Å
219W57.2Low65.7Low175 Ų175103.4 Ų103.466%0.66346%0.459SS*.Hα-helixtrans-63.5-42.1173.5-173.7-94000111.9C215 R216 Q221 I222 V223C215-W219 VanDerWaalsContact O-CB 3.22Å; C215-W219 WeakPolarHBondContact O-CB 3.32Å; C215-W219 PolarHBondContact O-N 3.31Å; R216-W219 PolarHBondContact O-N 3.43Å; W219-Q221 VanDerWaalsContact C-N 3.33Å; W219-Q221 PolarHBondContact O-N 2.88Å; W219-I222 PolarHBondContact O-N 2.92Å; W219-V223 HydrophobicContact CG-CG2 4.5Å; W219-V223 WeakPolarHBondContact O-CG2 2.96Å; W219-V223 PolarHBondContact O-N 3.35Å
220K64.8Low65.7Low131 Ų131105.7 Ų105.757%0.5748%0.475SS*.Hα-helixtrans-60.4-42.6174.9-169.4175.3-169.1-84.30112R216 R217 V223 E224R216-K220 PolarHBondContact O-N 3.42Å; R217-K220 PolarHBondContact O-N 3.05Å; K220-V223 PolarHBondContact O-N 3.11Å; K220-E224 IonicContact NZ-OE1 3.17Å; K220-E224 PolarHBondContact NZ-OE1 2.92Å; K220-E224 PolarHBondContact O-N 3.26Å
221Q65.5Low66.5Low102 Ų102106 Ų10648%0.47748%0.477SS..Hα-helixtrans-60.3-50.6173.9-70.5177.1-80.400111.3R217 R218 W219 V223 E224 E225R217-Q221 PolarHBondContact O-N 3.31Å; R218-Q221 PolarHBondContact O-N 2.94Å; W219-Q221 VanDerWaalsContact C-N 3.33Å; W219-Q221 PolarHBondContact O-N 2.88Å; Q221-V223 VanDerWaalsContact C-N 3.28Å; Q221-V223 PolarHBondContact O-N 2.99Å; Q221-E224 PolarHBondContact O-N 2.65Å; Q221-E225 VanDerWaalsContact O-CB 3.32Å; Q221-E225 WeakPolarHBondContact O-CB 3.17Å; Q221-E225 VanDerWaalsContact O-CD 3.3Å; Q221-E225 WeakPolarHBondContact O-CG 3.47Å; Q221-E225 PolarHBondContact O-N 3.26Å
222I65.7Low66.9Low78 Ų7899 Ų9940%0.445%0.454SS..Hα-helixtrans-58.1-37.7177.8-69.4164.3000112.3R218 W219 Y226R218-I222 HydrophobicContact CG-CD1 4Å; R218-I222 VanDerWaalsContact O-CG1 3.29Å; R218-I222 WeakPolarHBondContact O-CG1 3.44Å; R218-I222 PolarHBondContact O-N 3.08Å; W219-I222 PolarHBondContact O-N 2.92Å; I222-Y226 VanDerWaalsContact O-CB 3.25Å; I222-Y226 WeakPolarHBondContact O-CB 3.12Å; I222-Y226 PolarHBondContact O-N 3.06Å
223V67.9Low67.3Low57 Ų57101.8 Ų101.835%0.34546%0.46SS..Hα-helixtrans-71.1-43.5177.3169.90000111.7W219 K220 Q221 E225 Y226 I227W219-V223 HydrophobicContact CG-CG2 4.5Å; W219-V223 WeakPolarHBondContact O-CG2 2.96Å; W219-V223 PolarHBondContact O-N 3.35Å; K220-V223 PolarHBondContact O-N 3.11Å; Q221-V223 VanDerWaalsContact C-N 3.28Å; Q221-V223 PolarHBondContact O-N 2.99Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-Y226 PolarHBondContact O-N 3.38Å; V223-I227 HydrophobicContact CG1-CD1 3.85Å; V223-I227 VanDerWaalsContact O-CG1 3.27Å; V223-I227 WeakPolarHBondContact O-CG1 3.39Å; V223-I227 PolarHBondContact O-N 2.9Å
224E68.4Low67.7Low67 Ų67100.3 Ų100.331%0.31346%0.459SS..Hα-helixtrans-65-38174.9-77.9-169.9-138.900112.4K220 Q221 R228K220-E224 IonicContact NZ-OE1 3.17Å; K220-E224 PolarHBondContact NZ-OE1 2.92Å; K220-E224 PolarHBondContact O-N 3.26Å; Q221-E224 PolarHBondContact O-N 2.65Å; E224-R228 WeakPolarHBondContact O-CG 3.31Å; E224-R228 PolarHBondContact O-N 2.88Å; E224-R228 VanDerWaalsContact O-N 3.14Å; E224-R228 IonicContact OE2-CZ 3.52Å; E224-R228 IonicContact OE2-NH1 3.17Å; E224-R228 PolarHBondContact OE2-NH1 2.97Å; E224-R228 IonicContact OE2-NH2 2.71Å; E224-R228 PolarHBondContact OE2-NH2 2.67Å
225E65.2Low68.1Low55 Ų5597.5 Ų97.526%0.25744%0.444SS..Hα-helixtrans-65.3-43.8173.5-70.6159.8-160.600111Q221 V223 I227 R228 S229 K2337Q221-E225 VanDerWaalsContact O-CB 3.32Å; Q221-E225 WeakPolarHBondContact O-CB 3.17Å; Q221-E225 VanDerWaalsContact O-CD 3.3Å; Q221-E225 WeakPolarHBondContact O-CG 3.47Å; Q221-E225 PolarHBondContact O-N 3.26Å; V223-E225 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.3Å; E225-R228 CarbonylContact O-C 3.39Å; E225-R228 PolarHBondContact O-N 3.24Å; E225-S229 WeakPolarHBondContact O-CB 3.31Å; E225-S229 PolarHBondContact O-N 2.91Å; E225-K2337 IonicContact OE1-NZ 3.99Å; E225-K2337 PolarHBondContact OE1-NZ 3.33Å; E225-K2337 IonicContact OE2-NZ 2.71Å; E225-K2337 PolarHBondContact OE2-NZ 3.08Å
226Y66.4Low68.5Low125 Ų12599.6 Ų99.649%0.4944%0.44SS..Hα-helixtrans-60.6-45.4174.8-178.2-100.3000111.8I222 V223 R228 S229 H231 A232I222-Y226 VanDerWaalsContact O-CB 3.25Å; I222-Y226 WeakPolarHBondContact O-CB 3.12Å; I222-Y226 PolarHBondContact O-N 3.06Å; V223-Y226 PolarHBondContact O-N 3.38Å; Y226-R228 PolarHBondContact O-N 3.12Å; Y226-S229 WeakPolarHBondContact O-CB 3.29Å; Y226-S229 PolarHBondContact O-N 2.91Å; Y226-S229 PolarHBondContact O-OG 3.09Å; Y226-H231 AromaticContact CE2-CD2 3.56Å; Y226-H231 AromaticContact CZ-CD2 3.83Å; Y226-H231 PolarHBondContact OH-CD2 2.99Å; Y226-A232 HydrophobicContact CD1-CB 4.4Å; Y226-A232 HydrophobicContact CE1-CB 4.19Å; Y226-A232 WeakPolarHBondContact O-CB 3.16Å
227I71.7Confident69.3Low94 Ų9498.9 Ų98.948%0.48244%0.437SS..Hα-helixtrans-63.3-29.3178.1-69.2165.2000112.3V223 E225 R236V223-I227 HydrophobicContact CG1-CD1 3.85Å; V223-I227 VanDerWaalsContact O-CG1 3.27Å; V223-I227 WeakPolarHBondContact O-CG1 3.39Å; V223-I227 PolarHBondContact O-N 2.9Å; E225-I227 PolarHBondContact O-N 3.3Å; I227-R236 PolarHBondContact O-NH2 3.12Å
228R68.7Low70.3Confident172 Ų17291.4 Ų91.465%0.64941%0.409SS*.THydrogen-bonded Turntrans-91.10.3174-64.6-179-164.4111.69.2114E224 E225 Y226E224-R228 WeakPolarHBondContact O-CG 3.31Å; E224-R228 PolarHBondContact O-N 2.88Å; E224-R228 VanDerWaalsContact O-N 3.14Å; E224-R228 IonicContact OE2-CZ 3.52Å; E224-R228 IonicContact OE2-NH1 3.17Å; E224-R228 PolarHBondContact OE2-NH1 2.97Å; E224-R228 IonicContact OE2-NH2 2.71Å; E224-R228 PolarHBondContact OE2-NH2 2.67Å; E225-R228 CarbonylContact O-C 3.39Å; E225-R228 PolarHBondContact O-N 3.24Å; Y226-R228 PolarHBondContact O-N 3.12Å
229S72.4Confident71.2Confident35 Ų3583.9 Ų83.925%0.24538%0.381CS..SBendtrans-83.8147.4-176.6730000112.8E225 Y226 H231 A232 E233E225-S229 WeakPolarHBondContact O-CB 3.31Å; E225-S229 PolarHBondContact O-N 2.91Å; Y226-S229 WeakPolarHBondContact O-CB 3.29Å; Y226-S229 PolarHBondContact O-N 2.91Å; Y226-S229 PolarHBondContact O-OG 3.09Å; S229-H231 PolarHBondContact O-N 3.16Å; S229-H231 VanDerWaalsContact O-N 3.1Å; S229-A232 PolarHBondContact O-N 2.79Å; S229-A232 PolarHBondContact OG-N 3.39Å; S229-E233 PolarHBondContact O-N 3.12Å
230D69.1Low72.3Confident135 Ų13579.4 Ų79.472%0.72238%0.376SS*.Hα-helixtrans-55.9-29.1175.5-40.8-32.1000112E233 S234D230-E233 PolarHBondContact O-N 2.83Å; D230-S234 WeakPolarHBondContact O-CB 3.31Å; D230-S234 PolarHBondContact O-N 2.91Å
231H73.1Confident73.3Confident89 Ų8974.5 Ų74.541%0.41236%0.356SS..Hα-helixtrans-64.1-45.5173.5178.795000111.9Y226 S229 M235Y226-H231 AromaticContact CE2-CD2 3.56Å; Y226-H231 AromaticContact CZ-CD2 3.83Å; Y226-H231 PolarHBondContact OH-CD2 2.99Å; S229-H231 PolarHBondContact O-N 3.16Å; S229-H231 VanDerWaalsContact O-N 3.1Å; H231-M235 WeakPolarHBondContact O-CB 3.22Å; H231-M235 WeakPolarHBondContact O-CG 3.27Å; H231-M235 PolarHBondContact O-N 2.72Å
232A72.6Confident74.1Confident12 Ų1269.8 Ų69.810%0.09933%0.334CS..Hα-helixtrans-75.1-25.8177.800000112.7Y226 S229 R236Y226-A232 HydrophobicContact CD1-CB 4.4Å; Y226-A232 HydrophobicContact CE1-CB 4.19Å; Y226-A232 WeakPolarHBondContact O-CB 3.16Å; S229-A232 PolarHBondContact O-N 2.79Å; S229-A232 PolarHBondContact OG-N 3.39Å; A232-R236 WeakPolarHBondContact O-CG 3.36Å; A232-R236 PolarHBondContact O-N 2.69Å; A232-R236 PolarHBondContact O-NE 2.92Å
233E73Confident74.9Confident83 Ų8370.5 Ų70.539%0.38834%0.335SS..Hα-helixtrans-73.6-45.2168.5-155.1-166.8124.500112S229 D230 M235 R236 R237S229-E233 PolarHBondContact O-N 3.12Å; D230-E233 PolarHBondContact O-N 2.83Å; E233-M235 VanDerWaalsContact C-N 3.31Å; E233-M235 PolarHBondContact O-N 3.29Å; E233-R236 CarbonylContact O-C 3.59Å; E233-R236 WeakPolarHBondContact O-CA 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.45Å; E233-R236 PolarHBondContact O-N 3.35Å; E233-R237 PolarHBondContact O-N 2.78Å; E233-R237 IonicContact OE1-CZ 2.77Å; E233-R237 IonicContact OE1-NE 2.78Å; E233-R237 PolarHBondContact OE1-NE 3.07Å; E233-R237 IonicContact OE1-NH2 3.28Å; E233-R237 PolarHBondContact OE1-NH2 3.42Å
234S78.2Confident75.5Confident31 Ų3169 Ų6922%0.21733%0.33CS..Hα-helixtrans-60.8-39.6176.6-164.90000111.5D230 R236 R237 R238 H437D230-S234 WeakPolarHBondContact O-CB 3.31Å; D230-S234 PolarHBondContact O-N 2.91Å; S234-R236 VanDerWaalsContact C-N 3.33Å; S234-R236 PolarHBondContact O-N 3.09Å; S234-R237 PolarHBondContact O-N 3.38Å; S234-R238 WeakPolarHBondContact O-CB 3.43Å; S234-R238 PolarHBondContact O-N 2.86Å; S234-H437 PolarHBondContact OG-ND1 3.03Å
235M72.7Confident76.3Confident39 Ų3966 Ų6619%0.19232%0.317CS..Hα-helixtrans-65.3-30.3171-75.2-65.9-66.900113.5H231 E233 N239 P439H231-M235 WeakPolarHBondContact O-CB 3.22Å; H231-M235 WeakPolarHBondContact O-CG 3.27Å; H231-M235 PolarHBondContact O-N 2.72Å; E233-M235 VanDerWaalsContact C-N 3.31Å; E233-M235 PolarHBondContact O-N 3.29Å; M235-N239 PolarHBondContact O-N 3.29Å; M235-N239 VanDerWaalsContact O-N 3.15Å; M235-N239 PolarHBondContact O-ND2 3.21Å; M235-P439 HydrophobicContact SD-CG 4.45Å
236R77.1Confident77.3Confident133 Ų13363.7 Ų63.750%0.50231%0.306SS..Hα-helixtrans-69.7-44.8170.4-82.1173.5-77.6-169.1-2.9111.4I227 A232 E233 S234 N239 S240I227-R236 PolarHBondContact O-NH2 3.12Å; A232-R236 WeakPolarHBondContact O-CG 3.36Å; A232-R236 PolarHBondContact O-N 2.69Å; A232-R236 PolarHBondContact O-NE 2.92Å; E233-R236 CarbonylContact O-C 3.59Å; E233-R236 WeakPolarHBondContact O-CA 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.45Å; E233-R236 PolarHBondContact O-N 3.35Å; S234-R236 VanDerWaalsContact C-N 3.33Å; S234-R236 PolarHBondContact O-N 3.09Å; R236-N239 PolarHBondContact O-N 2.88Å; R236-S240 PolarHBondContact O-N 3.29Å
237R80.9Confident78Confident133 Ų13364.1 Ų64.150%0.50231%0.313SS..Hα-helixtrans-60.4-44.2174.2-65-178.9-173.3-159.49111.5E233 S234 N239 S240 I241 H437E233-R237 PolarHBondContact O-N 2.78Å; E233-R237 IonicContact OE1-CZ 2.77Å; E233-R237 IonicContact OE1-NE 2.78Å; E233-R237 PolarHBondContact OE1-NE 3.07Å; E233-R237 IonicContact OE1-NH2 3.28Å; E233-R237 PolarHBondContact OE1-NH2 3.42Å; S234-R237 PolarHBondContact O-N 3.38Å; R237-N239 VanDerWaalsContact C-N 3.35Å; R237-N239 PolarHBondContact O-N 2.89Å; R237-S240 WeakPolarHBondContact O-CB 3.22Å; R237-S240 PolarHBondContact O-N 2.83Å; R237-S240 VanDerWaalsContact O-N 3.15Å; R237-I241 WeakPolarHBondContact O-CG1 3.43Å; R237-I241 PolarHBondContact O-N 3.48Å; R237-H437 WeakPolarHBondContact CD-CE1 3.48Å
238R83.5Confident78.4Confident0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-52.4-50.9172.1-171.2-171.4177.8-105.9-2.1111.3S234 S240 I241 V242 L314 L434 H437 T438 H442 D444S234-R238 WeakPolarHBondContact O-CB 3.43Å; S234-R238 PolarHBondContact O-N 2.86Å; R238-S240 PolarHBondContact O-N 3.18Å; R238-I241 PolarHBondContact O-N 2.88Å; R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 2.9Å; R238-L314 PolarHBondContact NH1-O 2.96Å; R238-L314 PolarHBondContact NH2-O 3.43Å; R238-L434 HydrophobicContact CG-CD1 3.63Å; R238-H437 HydrophobicContact CB-CB 3.91Å; R238-T438 WeakPolarHBondContact CD-OG1 3.49Å; R238-T438 PolarHBondContact NE-OG1 2.98Å; R238-H442 PolarHBondContact NH2-CE1 3Å; R238-H442 VanDerWaalsContact NH2-CE1 3.32Å; R238-D444 IonicContact NH2-OD2 3.17Å; R238-D444 PolarHBondContact NH2-OD2 2.89Å
239N81.1Confident79.2Confident16 Ų1654 Ų549%0.08628%0.276CS..Hα-helixtrans-65.5-38.4180-66.7-15.6000111.8M235 R236 R237 I241 V242 F243 W311M235-N239 PolarHBondContact O-N 3.29Å; M235-N239 VanDerWaalsContact O-N 3.15Å; M235-N239 PolarHBondContact O-ND2 3.21Å; R236-N239 PolarHBondContact O-N 2.88Å; R237-N239 VanDerWaalsContact C-N 3.35Å; R237-N239 PolarHBondContact O-N 2.89Å; N239-I241 VanDerWaalsContact C-N 3.29Å; N239-I241 PolarHBondContact O-N 3.04Å; N239-V242 WeakPolarHBondContact O-CB 3.29Å; N239-V242 PolarHBondContact O-N 2.59Å; N239-V242 VanDerWaalsContact O-N 3.08Å; N239-F243 HydrophobicContact CB-CE2 4.16Å; N239-F243 WeakPolarHBondContact O-CD2 3.38Å; N239-F243 PolarHBondContact O-N 2.93Å; N239-W311 WeakPolarHBondContact ND2-CZ2 3.33Å; N239-W311 PolarHBondContact ND2-NE1 2.97Å; N239-W311 VanDerWaalsContact ND2-NE1 3.12Å
240S80.1Confident79.8Confident80 Ų8054.4 Ų54.456%0.55928%0.276SS*.Hα-helixtrans-57.6-40.2174.5-158.80000112.6R236 R237 R238 V242 F243 G244R236-S240 PolarHBondContact O-N 3.29Å; R237-S240 WeakPolarHBondContact O-CB 3.22Å; R237-S240 PolarHBondContact O-N 2.83Å; R237-S240 VanDerWaalsContact O-N 3.15Å; R238-S240 PolarHBondContact O-N 3.18Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-F243 PolarHBondContact O-N 2.91Å; S240-G244 PolarHBondContact O-N 3.4Å; S240-G244 VanDerWaalsContact O-N 3.07Å
241I85Confident80.4Confident28 Ų2851.9 Ų51.914%0.14426%0.259CS..Hα-helixtrans-66.7-36.2176-64.7158000111R237 R238 N239 L245 T430 E433 L434 H437R237-I241 WeakPolarHBondContact O-CG1 3.43Å; R237-I241 PolarHBondContact O-N 3.48Å; R238-I241 PolarHBondContact O-N 2.88Å; N239-I241 VanDerWaalsContact C-N 3.29Å; N239-I241 PolarHBondContact O-N 3.04Å; I241-L245 WeakPolarHBondContact O-CB 3.44Å; I241-L245 PolarHBondContact O-N 3.49Å; I241-T430 HydrophobicContact CG2-CG2 3.77Å; I241-E433 HydrophobicContact CD1-CB 3.97Å; I241-L434 HydrophobicContact CB-CD1 4.4Å; I241-L434 HydrophobicContact CG2-CB 4.19Å; I241-L434 HydrophobicContact CG2-CD1 4.2Å; I241-H437 HydrophobicContact CD1-CB 4.49Å
242V83.1Confident80.8Confident3 Ų348 Ų482%0.01824%0.241CC..Hα-helixtrans-68.8-40.5176179.10000112R238 N239 S240 L245 V246 L314 L316 L434R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 2.9Å; N239-V242 WeakPolarHBondContact O-CB 3.29Å; N239-V242 PolarHBondContact O-N 2.59Å; N239-V242 VanDerWaalsContact O-N 3.08Å; S240-V242 VanDerWaalsContact C-N 3.34Å; V242-L245 PolarHBondContact O-N 3.3Å; V242-V246 PolarHBondContact O-N 3.02Å; V242-V246 VanDerWaalsContact O-N 3.15Å; V242-L314 HydrophobicContact CG1-CD2 3.94Å; V242-L316 HydrophobicContact CB-CD1 4.4Å; V242-L316 HydrophobicContact CG1-CD1 3.95Å; V242-L316 HydrophobicContact CG2-CD1 3.49Å; V242-L316 VanDerWaalsContact CG2-CD1 3.49Å; V242-L434 HydrophobicContact CG2-CD1 3.61Å
243F82.5Confident81.5Confident94 Ų9448.2 Ų48.241%0.41224%0.241SC..Hα-helixtrans-61.6-49.6174.1-67.7-61.1000111.1N239 S240 L245 V246 E247 M308N239-F243 HydrophobicContact CB-CE2 4.16Å; N239-F243 WeakPolarHBondContact O-CD2 3.38Å; N239-F243 PolarHBondContact O-N 2.93Å; S240-F243 PolarHBondContact O-N 2.91Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.33Å; F243-V246 PolarHBondContact O-N 3.47Å; F243-E247 PolarHBondContact O-N 3.25Å; F243-E247 VanDerWaalsContact O-N 3.07Å; F243-M308 HydrophobicContact CD1-CE 3.8Å; F243-M308 HydrophobicContact CD1-CG 4.36Å; F243-M308 HydrophobicContact CD1-SD 3.5Å; F243-M308 WeakPolarHBondContact CD1-SD 3.35Å; F243-M308 HydrophobicContact CE1-CE 3.82Å; F243-M308 HydrophobicContact CE1-CG 3.99Å; F243-M308 HydrophobicContact CE1-SD 3.69Å
244G81.3Confident82.2Confident24 Ų2449.6 Ų49.625%0.24725%0.248CC..Hα-helixtrans-60.2-36.6176.600000113.6S240 E247 C248S240-G244 PolarHBondContact O-N 3.4Å; S240-G244 VanDerWaalsContact O-N 3.07Å; G244-E247 PolarHBondContact O-N 2.96Å; G244-C248 WeakPolarHBondContact O-CB 3.44Å; G244-C248 PolarHBondContact O-N 3.39Å; G244-C248 PolarHBondContact O-SG 3.43Å
245L84.4Confident82.5Confident6 Ų648.7 Ų48.73%0.03124%0.24CC..Hα-helixtrans-60.2-42.5172.3176.861.2000112I241 V242 F243 E249 L304 F320 Y427 T430I241-L245 WeakPolarHBondContact O-CB 3.44Å; I241-L245 PolarHBondContact O-N 3.49Å; V242-L245 PolarHBondContact O-N 3.3Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.33Å; L245-E249 WeakPolarHBondContact O-CB 3.43Å; L245-E249 PolarHBondContact O-N 3.23Å; L245-E249 VanDerWaalsContact O-N 3.08Å; L245-L304 HydrophobicContact CD2-CD1 4.28Å; L245-L304 HydrophobicContact CD2-CD2 4.22Å; L245-L304 HydrophobicContact CG-CD1 4.07Å; L245-F320 HydrophobicContact CD2-CZ 4.14Å; L245-Y427 HydrophobicContact CD1-CD1 4.36Å; L245-Y427 HydrophobicContact CD1-CE1 4.2Å; L245-T430 HydrophobicContact CB-CG2 4.24Å; L245-T430 HydrophobicContact CD1-CG2 4.25Å
246V85.4Confident83.1Confident6 Ų646.9 Ų46.94%0.03623%0.231CC..Hα-helixtrans-64.5-501771740000110.9V242 F243 C248 E249 D250 V301 L304 R305 M308V242-V246 PolarHBondContact O-N 3.02Å; V242-V246 VanDerWaalsContact O-N 3.15Å; F243-V246 PolarHBondContact O-N 3.47Å; V246-C248 VanDerWaalsContact C-N 3.34Å; V246-C248 PolarHBondContact O-N 2.84Å; V246-E249 WeakPolarHBondContact O-CB 3.47Å; V246-E249 PolarHBondContact O-N 3Å; V246-D250 WeakPolarHBondContact CG1-OD2 3.41Å; V246-D250 PolarHBondContact O-N 3.3Å; V246-V301 HydrophobicContact CG1-CG2 4.37Å; V246-L304 HydrophobicContact CG2-CB 3.65Å; V246-L304 HydrophobicContact CG2-CD1 4.08Å; V246-L304 HydrophobicContact CG2-CG 4.45Å; V246-R305 HydrophobicContact CG1-CG 4.05Å; V246-M308 HydrophobicContact CB-SD 4.46Å; V246-M308 HydrophobicContact CG2-SD 3.85Å
247E81.8Confident83.6Confident134 Ų13442.4 Ų42.463%0.62622%0.22SC*.Hα-helixtrans-57.9-44.9-179.2-68173.3168.900112.1F243 G244 E249 E251F243-E247 PolarHBondContact O-N 3.25Å; F243-E247 VanDerWaalsContact O-N 3.07Å; G244-E247 PolarHBondContact O-N 2.96Å; E247-E249 VanDerWaalsContact C-N 3.28Å; E247-E249 PolarHBondContact O-N 3.45Å; E247-E251 PolarHBondContact O-N 3.17Å; E247-E251 VanDerWaalsContact O-N 3.14Å
248C79.9Confident84Confident52 Ų5236.9 Ų36.935%0.35120%0.2SC..Hα-helixtrans-75.3-16.6179.5-62.70000112.9G244 V246 Y252 R426G244-C248 WeakPolarHBondContact O-CB 3.44Å; G244-C248 PolarHBondContact O-N 3.39Å; G244-C248 PolarHBondContact O-SG 3.43Å; V246-C248 VanDerWaalsContact C-N 3.34Å; V246-C248 PolarHBondContact O-N 2.84Å; C248-Y252 PolarHBondContact O-N 2.65Å; C248-R426 VanDerWaalsContact C-NH2 3.31Å; C248-R426 PolarHBondContact O-NH1 2.99Å; C248-R426 PolarHBondContact O-NH2 2.85Å; C248-R426 VanDerWaalsContact O-NH2 3.08Å
249E85.6Confident84.2Confident0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-85.4-40.2173.8-163.370.7-161.500111.3L245 V246 E247 Y252 V253 H297 F300 V301 L304 R426 Y427L245-E249 WeakPolarHBondContact O-CB 3.43Å; L245-E249 PolarHBondContact O-N 3.23Å; L245-E249 VanDerWaalsContact O-N 3.08Å; V246-E249 WeakPolarHBondContact O-CB 3.47Å; V246-E249 PolarHBondContact O-N 3Å; E247-E249 VanDerWaalsContact C-N 3.28Å; E247-E249 PolarHBondContact O-N 3.45Å; E249-Y252 PolarHBondContact O-N 2.79Å; E249-V253 WeakPolarHBondContact O-CB 3.5Å; E249-V253 WeakPolarHBondContact O-CG2 3.44Å; E249-V253 PolarHBondContact O-N 2.73Å; E249-H297 IonicContact OE1-CE1 2.76Å; E249-H297 IonicContact OE1-CG 3.47Å; E249-H297 IonicContact OE1-ND1 3.48Å; E249-H297 PolarHBondContact OE1-ND1 2.94Å; E249-F300 HydrophobicContact CG-CD1 4Å; E249-F300 HydrophobicContact CG-CE1 4.47Å; E249-V301 HydrophobicContact CB-CB 4.3Å; E249-V301 HydrophobicContact CB-CG2 3.95Å; E249-V301 HydrophobicContact CG-CB 3.78Å; E249-V301 HydrophobicContact CG-CG2 4Å; E249-L304 HydrophobicContact CG-CD1 4.49Å; E249-R426 IonicContact OE2-NH2 2.84Å; E249-R426 PolarHBondContact OE2-NH2 2.85Å; E249-Y427 PolarHBondContact OE1-OH 3.07Å; E249-Y427 WeakPolarHBondContact OE2-CE1 3.13Å; E249-Y427 PolarHBondContact OE2-OH 3.05Å
250D84.7Confident84.6Confident45 Ų4536.2 Ų36.224%0.24120%0.197CC..Hα-helixtrans-57.8-46.8170.9-73.9-57.3000111.2V246 Y252 V253 Q254 V301 R305V246-D250 WeakPolarHBondContact CG1-OD2 3.41Å; V246-D250 PolarHBondContact O-N 3.3Å; D250-Y252 VanDerWaalsContact C-N 3.33Å; D250-Y252 PolarHBondContact O-N 2.79Å; D250-V253 PolarHBondContact O-N 3.41Å; D250-Q254 WeakPolarHBondContact O-CB 3.48Å; D250-Q254 PolarHBondContact O-N 2.66Å; D250-V301 WeakPolarHBondContact OD1-CG2 3.15Å; D250-R305 IonicContact OD1-CZ 3.2Å; D250-R305 IonicContact OD1-NE 3.42Å; D250-R305 PolarHBondContact OD1-NE 3.48Å; D250-R305 VanDerWaalsContact OD1-NE 3.12Å; D250-R305 IonicContact OD1-NH2 2.69Å; D250-R305 PolarHBondContact OD1-NH2 3.49Å; D250-R305 IonicContact OD2-CZ 2.79Å; D250-R305 IonicContact OD2-NE 3.86Å; D250-R305 IonicContact OD2-NH2 3.35Å; D250-R305 PolarHBondContact OD2-NH2 2.98Å
251E81.9Confident85Confident81 Ų8135.5 Ų35.538%0.37919%0.189SC..Hα-helixtrans-59.6-44.2176.4-167-160.2173.800111.2E247 Q254 Q255E247-E251 PolarHBondContact O-N 3.17Å; E247-E251 VanDerWaalsContact O-N 3.14Å; E251-Q254 WeakPolarHBondContact O-CB 3.37Å; E251-Q254 PolarHBondContact O-N 3.06Å; E251-Q254 VanDerWaalsContact O-N 3.14Å; E251-Q255 WeakPolarHBondContact O-CG 3.17Å; E251-Q255 PolarHBondContact O-N 2.89Å
252Y82.6Confident85.1Confident7 Ų734.3 Ų34.33%0.02718%0.183CC..Hα-helixtrans-64.2-44.3-179.7-177.7-115.8000112.1C248 E249 D250 Q254 Q255 L256 H297 Y330 P378C248-Y252 PolarHBondContact O-N 2.65Å; E249-Y252 PolarHBondContact O-N 2.79Å; D250-Y252 VanDerWaalsContact C-N 3.33Å; D250-Y252 PolarHBondContact O-N 2.79Å; Y252-Q254 VanDerWaalsContact C-N 3.29Å; Y252-Q254 PolarHBondContact O-N 3.34Å; Y252-Q255 PolarHBondContact O-N 2.95Å; Y252-L256 HydrophobicContact CD1-CD1 3.96Å; Y252-L256 HydrophobicContact CE1-CD1 3.48Å; Y252-L256 VanDerWaalsContact CE1-CD1 3.48Å; Y252-L256 HydrophobicContact CE2-CD1 4.21Å; Y252-L256 PolarHBondContact O-N 3.37Å; Y252-H297 HydrophobicContact CD1-CB 4.45Å; Y252-H297 AromaticContact CD1-ND1 3.93Å; Y252-H297 AromaticContact CE1-CE1 3.96Å; Y252-H297 AromaticContact CE1-CG 3.86Å; Y252-H297 AromaticContact CE1-ND1 3.77Å; Y252-Y330 WeakPolarHBondContact CE1-OH 3.43Å; Y252-Y330 PolarHBondContact OH-OH 3.16Å; Y252-P378 WeakPolarHBondContact OH-CA 3.27Å
253V87.6Confident85.5Confident17 Ų1734.2 Ų34.210%0.10318%0.182CC..Hα-helixtrans-59.8-39.2171.5166.20000111.2E249 D250 S257 L294 H297 Q298 V301E249-V253 WeakPolarHBondContact O-CB 3.5Å; E249-V253 WeakPolarHBondContact O-CG2 3.44Å; E249-V253 PolarHBondContact O-N 2.73Å; D250-V253 PolarHBondContact O-N 3.41Å; V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 2.94Å; V253-L294 HydrophobicContact CG1-CD1 4.08Å; V253-H297 HydrophobicContact CG2-CB 3.77Å; V253-Q298 HydrophobicContact CG1-CG 3.55Å; V253-Q298 HydrophobicContact CG2-CG 4.4Å; V253-V301 HydrophobicContact CG2-CG1 4.26Å
254Q86.5Confident85.8Confident113 Ų11329.8 Ų29.853%0.52816%0.163SC..Hα-helixtrans-63.5-47.8176.7-168.9-178.39.800111.7D250 E251 Y252 L256 S257 I258D250-Q254 WeakPolarHBondContact O-CB 3.48Å; D250-Q254 PolarHBondContact O-N 2.66Å; E251-Q254 WeakPolarHBondContact O-CB 3.37Å; E251-Q254 PolarHBondContact O-N 3.06Å; E251-Q254 VanDerWaalsContact O-N 3.14Å; Y252-Q254 VanDerWaalsContact C-N 3.29Å; Y252-Q254 PolarHBondContact O-N 3.34Å; Q254-L256 PolarHBondContact O-N 3.43Å; Q254-S257 WeakPolarHBondContact O-CB 3.44Å; Q254-S257 PolarHBondContact O-N 3.01Å; Q254-S257 VanDerWaalsContact O-N 3.13Å; Q254-S257 PolarHBondContact O-OG 3.2Å; Q254-I258 WeakPolarHBondContact O-CG1 3.39Å; Q254-I258 PolarHBondContact O-N 3.29Å
255Q85.1Confident86.2Confident12 Ų1234.5 Ų34.56%0.05617%0.174CC..Hα-helixtrans-64.2-40.7178.3-56.9-50.6-6200112.2E251 Y252 S257 I258 L259 Y377E251-Q255 WeakPolarHBondContact O-CG 3.17Å; E251-Q255 PolarHBondContact O-N 2.89Å; Y252-Q255 PolarHBondContact O-N 2.95Å; Q255-S257 VanDerWaalsContact C-N 3.31Å; Q255-S257 PolarHBondContact O-N 3.19Å; Q255-I258 PolarHBondContact O-N 3.16Å; Q255-L259 PolarHBondContact O-N 2.72Å; Q255-Y377 HydrophobicContact CB-CD1 3.92Å; Q255-Y377 HydrophobicContact CB-CE1 4.15Å; Q255-Y377 HydrophobicContact CB-CG 4.26Å; Q255-Y377 HydrophobicContact CG-CD1 3.98Å; Q255-Y377 HydrophobicContact CG-CE1 3.69Å
256L85.4Confident86.3Confident1 Ų135.7 Ų35.71%0.00518%0.181CC..Hα-helixtrans-61.8-37.6171.6-88.8162.1000112.3Y252 Q254 I258 L259 V260 V293 L294 P378Y252-L256 HydrophobicContact CD1-CD1 3.96Å; Y252-L256 HydrophobicContact CE1-CD1 3.48Å; Y252-L256 VanDerWaalsContact CE1-CD1 3.48Å; Y252-L256 HydrophobicContact CE2-CD1 4.21Å; Y252-L256 PolarHBondContact O-N 3.37Å; Q254-L256 PolarHBondContact O-N 3.43Å; L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 PolarHBondContact O-N 2.77Å; L256-L259 HydrophobicContact CD2-CD2 4.46Å; L256-L259 PolarHBondContact O-N 3.12Å; L256-V260 WeakPolarHBondContact O-CG2 3.4Å; L256-V260 PolarHBondContact O-N 3.27Å; L256-V293 HydrophobicContact CD1-CG1 3.9Å; L256-V293 HydrophobicContact CD2-CG1 4.25Å; L256-L294 HydrophobicContact CB-CB 4.26Å; L256-L294 HydrophobicContact CB-CD1 3.79Å; L256-P378 HydrophobicContact CD2-CG 4Å
257S88.2Confident86.4Confident38 Ų3835.4 Ų35.427%0.26618%0.18SC..Hα-helixtrans-65.6-33.4176.783.40000112.5V253 Q254 Q255 T261V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 2.94Å; Q254-S257 WeakPolarHBondContact O-CB 3.44Å; Q254-S257 PolarHBondContact O-N 3.01Å; Q254-S257 VanDerWaalsContact O-N 3.13Å; Q254-S257 PolarHBondContact O-OG 3.2Å; Q255-S257 VanDerWaalsContact C-N 3.31Å; Q255-S257 PolarHBondContact O-N 3.19Å; S257-T261 WeakPolarHBondContact O-CB 3.06Å; S257-T261 PolarHBondContact O-N 2.82Å; S257-T261 PolarHBondContact O-OG1 2.89Å
258I87.6Confident86.6Confident18 Ų1832.8 Ų32.89%0.09216%0.164CC..Hα-helixtrans-68.8-47.1173.5-65.4160.7000110Q254 Q255 L256 V260 T261 C262 L365 F374Q254-I258 WeakPolarHBondContact O-CG1 3.39Å; Q254-I258 PolarHBondContact O-N 3.29Å; Q255-I258 PolarHBondContact O-N 3.16Å; L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 PolarHBondContact O-N 2.77Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.81Å; I258-T261 PolarHBondContact O-N 3.34Å; I258-C262 HydrophobicContact CG2-CB 4.33Å; I258-C262 VanDerWaalsContact O-CB 3.25Å; I258-C262 WeakPolarHBondContact O-CB 3.21Å; I258-C262 PolarHBondContact O-N 3.38Å; I258-L365 WeakPolarHBondContact CD1-O 3.27Å; I258-L365 WeakPolarHBondContact CG2-O 3.22Å; I258-F374 HydrophobicContact CB-CE1 4.14Å; I258-F374 HydrophobicContact CG2-CD1 4.21Å; I258-F374 HydrophobicContact CG2-CE1 3.63Å; I258-F374 HydrophobicContact CG2-CE2 4.35Å; I258-F374 HydrophobicContact CG2-CZ 3.71Å
259L88.4Confident86.9Confident2 Ų237 Ų371%0.0118%0.181CC..Iπ-helixtrans-54-49.4174.5177.464.3000111.6Q255 L256 Y263 L264 F287 A290 F374 L375Q255-L259 PolarHBondContact O-N 2.72Å; L256-L259 HydrophobicContact CD2-CD2 4.46Å; L256-L259 PolarHBondContact O-N 3.12Å; L259-Y263 PolarHBondContact O-N 3.44Å; L259-L264 PolarHBondContact O-N 3.07Å; L259-L264 VanDerWaalsContact O-N 3.13Å; L259-F287 HydrophobicContact CD1-CD1 3.92Å; L259-F287 HydrophobicContact CD1-CE1 3.73Å; L259-F287 HydrophobicContact CG-CD1 4.42Å; L259-A290 HydrophobicContact CD2-CB 4.49Å; L259-F374 HydrophobicContact CB-CB 4.28Å; L259-F374 HydrophobicContact CD1-CB 3.82Å; L259-L375 HydrophobicContact CD1-CD2 4.2Å; L259-L375 HydrophobicContact CD1-CG 4.43Å
260V89.3Confident86.7Confident0 Ų037.6 Ų37.60%019%0.185CC..Iπ-helixtrans-67.4-43.7-179.1170.90000112.1L256 I258 L264 R265 E291 L294L256-V260 WeakPolarHBondContact O-CG2 3.4Å; L256-V260 PolarHBondContact O-N 3.27Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.81Å; V260-L264 HydrophobicContact CG2-CD2 4.42Å; V260-R265 HydrophobicContact CG1-CG 4.44Å; V260-R265 WeakPolarHBondContact O-CB 3.47Å; V260-R265 WeakPolarHBondContact O-CG 3.46Å; V260-R265 PolarHBondContact O-N 2.67Å; V260-E291 HydrophobicContact CG1-CG 3.71Å; V260-E291 HydrophobicContact CG2-CG 3.99Å; V260-L294 HydrophobicContact CB-CD2 3.92Å; V260-L294 HydrophobicContact CG1-CD2 4.21Å; V260-L294 HydrophobicContact CG2-CB 4.37Å; V260-L294 HydrophobicContact CG2-CD2 3.76Å
261T88.8Confident86.8Confident64 Ų6436 Ų3639%0.39318%0.178SC..Iπ-helixtrans-87.3-34.9-170.1-51.70000113.4S257 I258 P266S257-T261 WeakPolarHBondContact O-CB 3.06Å; S257-T261 PolarHBondContact O-N 2.82Å; S257-T261 PolarHBondContact O-OG1 2.89Å; I258-T261 PolarHBondContact O-N 3.34Å; T261-P266 WeakPolarHBondContact O-CD 3.36Å
262C87.9Confident86.8Confident4 Ų436.1 Ų36.13%0.02719%0.188CC..Iπ-helixtrans-90.2-27.5-178.5-68.20000113.8I258 P266 K363 C366I258-C262 HydrophobicContact CG2-CB 4.33Å; I258-C262 VanDerWaalsContact O-CB 3.25Å; I258-C262 WeakPolarHBondContact O-CB 3.21Å; I258-C262 PolarHBondContact O-N 3.38Å; C262-P266 WeakPolarHBondContact O-CG 3.26Å; C262-K363 HydrophobicContact CB-CD 4.4Å; C262-C366 VanDerWaalsContact CB-SG 3.55Å
263Y89.9Confident86.8Confident0 Ų038.2 Ų38.20%020%0.203CC..Iπ-helixtrans-116.9-63.6-177.3-59.7-80000113.3L259 R265 P266 F267 L357 L360 E361 R369 I371 F374L259-Y263 PolarHBondContact O-N 3.44Å; Y263-R265 PolarHBondContact O-N 3.34Å; Y263-P266 WeakPolarHBondContact O-CD 3.4Å; Y263-F267 WeakPolarHBondContact O-CB 3.22Å; Y263-F267 VanDerWaalsContact O-CD1 3.29Å; Y263-F267 WeakPolarHBondContact O-CD1 3.46Å; Y263-F267 PolarHBondContact O-N 3.49Å; Y263-L357 HydrophobicContact CD1-CD1 4.39Å; Y263-L357 HydrophobicContact CE1-CD1 4.33Å; Y263-L360 HydrophobicContact CD1-CB 4.28Å; Y263-L360 HydrophobicContact CE1-CB 4.08Å; Y263-E361 HydrophobicContact CE1-CG 4.04Å; Y263-E361 WeakPolarHBondContact OH-CG 3.4Å; Y263-R369 PolarHBondContact OH-O 3.24Å; Y263-I371 HydrophobicContact CD1-CB 3.98Å; Y263-I371 HydrophobicContact CD1-CD1 3.92Å; Y263-I371 HydrophobicContact CD1-CG1 4.01Å; Y263-I371 HydrophobicContact CE1-CB 3.86Å; Y263-I371 HydrophobicContact CE1-CG1 4.39Å; Y263-I371 HydrophobicContact CG-CD1 4.24Å; Y263-I371 HydrophobicContact CG-CG1 4.2Å; Y263-F374 HydrophobicContact CD2-CD2 4.44Å; Y263-F374 AromaticContact CE2-CD2 3.54Å; Y263-F374 HydrophobicContact CE2-CD2 3.54Å; Y263-F374 AromaticContact CE2-CE2 3.98Å; Y263-F374 HydrophobicContact CE2-CE2 3.98Å; Y263-F374 HydrophobicContact CE2-CG 4.21Å
264L89.7Confident86.1Confident2 Ų247.8 Ų47.81%0.0124%0.244CC..Iπ-helixtrans-58.9-50.3-173.9168.356.6000112.9L259 V260 F267 R268 V283 F287 E291L259-L264 PolarHBondContact O-N 3.07Å; L259-L264 VanDerWaalsContact O-N 3.13Å; V260-L264 HydrophobicContact CG2-CD2 4.42Å; L264-F267 PolarHBondContact O-N 3.43Å; L264-R268 WeakPolarHBondContact O-CB 3.12Å; L264-R268 PolarHBondContact O-N 3.14Å; L264-V283 HydrophobicContact CD1-CG1 3.66Å; L264-F287 HydrophobicContact CB-CB 4.44Å; L264-F287 HydrophobicContact CB-CD1 4.18Å; L264-F287 HydrophobicContact CB-CD2 4.02Å; L264-F287 HydrophobicContact CB-CE1 4.4Å; L264-F287 HydrophobicContact CB-CE2 4.23Å; L264-F287 HydrophobicContact CB-CG 3.98Å; L264-F287 HydrophobicContact CB-CZ 4.42Å; L264-F287 HydrophobicContact CD1-CB 3.94Å; L264-F287 HydrophobicContact CD1-CD2 3.61Å; L264-F287 HydrophobicContact CD1-CE2 4.32Å; L264-F287 HydrophobicContact CD1-CG 3.98Å; L264-F287 HydrophobicContact CD2-CB 4.13Å; L264-F287 HydrophobicContact CG-CB 4.39Å; L264-F287 HydrophobicContact CG-CD2 4.34Å; L264-F287 HydrophobicContact CG-CG 4.38Å; L264-E291 HydrophobicContact CD2-CG 3.76Å
265R89.4Confident85.7Confident123 Ų12351 Ų5146%0.46426%0.256SS..Hα-helixtrans-60.5-50.7179.4-75176.5-173.9168.20.2112.1V260 Y263 F267 R268 M269V260-R265 HydrophobicContact CG1-CG 4.44Å; V260-R265 WeakPolarHBondContact O-CB 3.47Å; V260-R265 WeakPolarHBondContact O-CG 3.46Å; V260-R265 PolarHBondContact O-N 2.67Å; Y263-R265 PolarHBondContact O-N 3.34Å; R265-F267 PolarHBondContact O-N 2.94Å; R265-R268 PolarHBondContact O-N 3.13Å; R265-M269 VanDerWaalsContact O-CG 3.31Å; R265-M269 WeakPolarHBondContact O-CG 3.48Å; R265-M269 PolarHBondContact O-N 3.39Å
266P86.1Confident85.2Confident30 Ų3054.1 Ų54.120%0.19528%0.277CS..Hα-helixtrans-57.1-39.4172.1-3240.2000115T261 C262 Y263 M269 A270 L360T261-P266 WeakPolarHBondContact O-CD 3.36Å; C262-P266 WeakPolarHBondContact O-CG 3.26Å; Y263-P266 WeakPolarHBondContact O-CD 3.4Å; P266-M269 PolarHBondContact O-N 3.43Å; P266-A270 WeakPolarHBondContact O-CB 3.28Å; P266-A270 PolarHBondContact O-N 2.77Å; P266-L360 HydrophobicContact CB-CD1 4.01Å; P266-L360 HydrophobicContact CB-CD2 4Å; P266-L360 HydrophobicContact CG-CD2 4.12Å
267F87.4Confident85Confident0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-66.7-44.3177-85.137.1000111.5Y263 L264 R265 M269 A270 A271 V283 F287 F353 M356 L357 L360 I371Y263-F267 WeakPolarHBondContact O-CB 3.22Å; Y263-F267 VanDerWaalsContact O-CD1 3.29Å; Y263-F267 WeakPolarHBondContact O-CD1 3.46Å; Y263-F267 PolarHBondContact O-N 3.49Å; L264-F267 PolarHBondContact O-N 3.43Å; R265-F267 PolarHBondContact O-N 2.94Å; F267-M269 VanDerWaalsContact C-N 3.32Å; F267-M269 PolarHBondContact O-N 3.42Å; F267-A270 WeakPolarHBondContact O-CB 3.44Å; F267-A270 PolarHBondContact O-N 3.28Å; F267-A271 PolarHBondContact O-N 2.78Å; F267-V283 HydrophobicContact CB-CG1 4.14Å; F267-V283 HydrophobicContact CB-CG2 3.92Å; F267-F287 HydrophobicContact CB-CE2 4.05Å; F267-F287 AromaticContact CD2-CE2 3.53Å; F267-F287 HydrophobicContact CD2-CE2 3.53Å; F267-F287 AromaticContact CD2-CZ 3.89Å; F267-F287 HydrophobicContact CD2-CZ 3.89Å; F267-F287 HydrophobicContact CE2-CE2 4.15Å; F267-F287 HydrophobicContact CE2-CZ 4.11Å; F267-F287 AromaticContact CG-CE2 3.98Å; F267-F287 HydrophobicContact CG-CE2 3.98Å; F267-F287 HydrophobicContact CG-CZ 4.28Å; F267-F353 HydrophobicContact CD2-CE2 4.26Å; F267-F353 HydrophobicContact CE1-CE2 4.23Å; F267-F353 AromaticContact CE2-CE2 3.47Å; F267-F353 HydrophobicContact CE2-CE2 3.47Å; F267-F353 VanDerWaalsContact CE2-CE2 3.47Å; F267-F353 AromaticContact CE2-CZ 3.58Å; F267-F353 HydrophobicContact CE2-CZ 3.58Å; F267-F353 AromaticContact CZ-CE2 3.45Å; F267-F353 HydrophobicContact CZ-CE2 3.45Å; F267-F353 VanDerWaalsContact CZ-CE2 3.45Å; F267-F353 AromaticContact CZ-CZ 3.5Å; F267-F353 HydrophobicContact CZ-CZ 3.5Å; F267-M356 HydrophobicContact CD1-SD 4.47Å; F267-L357 HydrophobicContact CE1-CD1 4.25Å; F267-L357 HydrophobicContact CZ-CD1 3.82Å; F267-L360 HydrophobicContact CD1-CD1 4.07Å; F267-L360 HydrophobicContact CE1-CD1 3.77Å; F267-I371 HydrophobicContact CE2-CD1 3.94Å; F267-I371 HydrophobicContact CZ-CD1 3.75Å
268R87.4Confident84.7Confident79 Ų7954.4 Ų54.430%0.29828%0.276SS..Hα-helixtrans-62.8-38.8175.6-168.7-178-73.5152.7-6.2111.3L264 R265 A271 S272 H280 V283 E291L264-R268 WeakPolarHBondContact O-CB 3.12Å; L264-R268 PolarHBondContact O-N 3.14Å; R265-R268 PolarHBondContact O-N 3.13Å; R268-A271 PolarHBondContact O-N 2.88Å; R268-S272 PolarHBondContact O-N 3.15Å; R268-S272 VanDerWaalsContact O-N 3.09Å; R268-S272 PolarHBondContact O-OG 3.4Å; R268-S272 VanDerWaalsContact O-OG 3.12Å; R268-H280 PolarHBondContact O-CE1 3.14Å; R268-H280 VanDerWaalsContact O-CE1 3.31Å; R268-V283 HydrophobicContact CB-CG1 4.26Å; R268-E291 IonicContact CZ-OE2 2.73Å; R268-E291 VanDerWaalsContact NH1-CD 3.29Å; R268-E291 IonicContact NH1-OE1 3.14Å; R268-E291 PolarHBondContact NH1-OE1 2.61Å; R268-E291 VanDerWaalsContact NH1-OE1 3.09Å; R268-E291 IonicContact NH1-OE2 2.68Å; R268-E291 PolarHBondContact NH1-OE2 2.95Å; R268-E291 IonicContact NH2-OE2 3.85Å; R268-E291 PolarHBondContact NH2-OE2 3.37Å
269M84.9Confident84.6Confident142 Ų14255.6 Ų55.670%0.729%0.285SS*.Hα-helixtrans-66.7-37.8172.6-70.8176.873.500112.8R265 P266 F267 S272 S273R265-M269 VanDerWaalsContact O-CG 3.31Å; R265-M269 WeakPolarHBondContact O-CG 3.48Å; R265-M269 PolarHBondContact O-N 3.39Å; P266-M269 PolarHBondContact O-N 3.43Å; F267-M269 VanDerWaalsContact C-N 3.32Å; F267-M269 PolarHBondContact O-N 3.42Å; M269-S272 PolarHBondContact O-N 3.49Å; M269-S273 PolarHBondContact O-N 2.79Å
270A83Confident84.4Confident12 Ų1259.2 Ų59.210%0.09930%0.302CS..Hα-helixtrans-64.9-40174.300000111.7P266 F267 S272 S273 P276 M356P266-A270 WeakPolarHBondContact O-CB 3.28Å; P266-A270 PolarHBondContact O-N 2.77Å; F267-A270 WeakPolarHBondContact O-CB 3.44Å; F267-A270 PolarHBondContact O-N 3.28Å; A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.2Å; A270-S273 VanDerWaalsContact O-CB 3.28Å; A270-S273 WeakPolarHBondContact O-CB 3.46Å; A270-S273 PolarHBondContact O-N 3.2Å; A270-S273 VanDerWaalsContact O-N 3.12Å; A270-S273 PolarHBondContact O-OG 3.22Å; A270-P276 WeakPolarHBondContact O-CA 3.46Å; A270-M356 HydrophobicContact CB-CE 3.67Å; A270-M356 HydrophobicContact CB-SD 4.03Å
271A85.5Confident84.2Confident10 Ų1066.9 Ų66.98%0.08334%0.338CS..Hα-helixtrans-65.8-27.117400000113.5F267 R268 V278 H280 V283F267-A271 PolarHBondContact O-N 2.78Å; R268-A271 PolarHBondContact O-N 2.88Å; A271-V278 VanDerWaalsContact CA-O 3.27Å; A271-V278 WeakPolarHBondContact CA-O 3.29Å; A271-V278 VanDerWaalsContact CB-O 3.26Å; A271-V278 WeakPolarHBondContact CB-O 3.45Å; A271-H280 HydrophobicContact CB-CB 4.49Å; A271-H280 PolarHBondContact O-NE2 2.83Å; A271-V283 HydrophobicContact CB-CG2 4.21Å
272S82.4Confident84Confident84 Ų8465.4 Ų65.459%0.58733%0.328SS*.THydrogen-bonded Turntrans-861.1172-54.80000114.3R268 M269 A270 H280R268-S272 PolarHBondContact O-N 3.15Å; R268-S272 VanDerWaalsContact O-N 3.09Å; R268-S272 PolarHBondContact O-OG 3.4Å; R268-S272 VanDerWaalsContact O-OG 3.12Å; M269-S272 PolarHBondContact O-N 3.49Å; A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.2Å; S272-H280 PolarHBondContact N-NE2 3.34Å; S272-H280 PolarHBondContact OG-CE1 3.48Å; S272-H280 PolarHBondContact OG-NE2 3.01Å
273S83.3Confident84Confident51 Ų5165.2 Ų65.236%0.35733%0.326SS..SBendtrans-80.8162.3-17778.60000112.8M269 A270 K275 P276M269-S273 PolarHBondContact O-N 2.79Å; A270-S273 VanDerWaalsContact O-CB 3.28Å; A270-S273 WeakPolarHBondContact O-CB 3.46Å; A270-S273 PolarHBondContact O-N 3.2Å; A270-S273 VanDerWaalsContact O-N 3.12Å; A270-S273 PolarHBondContact O-OG 3.22Å; S273-K275 PolarHBondContact O-N 3.03Å; S273-K275 PolarHBondContact OG-O 3.38Å; S273-K275 VanDerWaalsContact OG-O 3.08Å; S273-P276 WeakPolarHBondContact O-CD 3.46Å
274K72.8Confident83.7Confident219 Ų21969.2 Ų69.295%0.95235%0.348SS*.SBendtrans-62.9-10.7178.9-69-173.4177.5-178.50114.7
275K77.4Confident83.4Confident179 Ų17969.8 Ų69.878%0.77835%0.352SS*.SBendtrans-139.885.9169.7-76.5-169.3173.9-172.50107.9S273 I277S273-K275 PolarHBondContact O-N 3.03Å; S273-K275 PolarHBondContact OG-O 3.38Å; S273-K275 VanDerWaalsContact OG-O 3.08Å; K275-I277 PolarHBondContact O-N 3.21Å; K275-I277 VanDerWaalsContact O-N 3.13Å
276P75.3Confident83.2Confident78 Ų7864 Ų6451%0.50633%0.33SS..  trans-68113.3-173.126.9-33.8000111.2A270 S273 V278A270-P276 WeakPolarHBondContact O-CA 3.46Å; S273-P276 WeakPolarHBondContact O-CD 3.46Å; P276-V278 PolarHBondContact O-N 3.31Å
277I79.6Confident83.2Confident44 Ų4462.9 Ų62.923%0.22632%0.322CS..SBendtrans-72.4-22.1179.5-66.4164.6000111.2K275 Y347 E352 F353 M356K275-I277 PolarHBondContact O-N 3.21Å; K275-I277 VanDerWaalsContact O-N 3.13Å; I277-Y347 VanDerWaalsContact O-CE1 3.27Å; I277-Y347 WeakPolarHBondContact O-CE1 3.08Å; I277-E352 HydrophobicContact CG2-CB 4.41Å; I277-F353 HydrophobicContact CG2-CB 3.94Å; I277-F353 HydrophobicContact CG2-CD2 4.36Å; I277-M356 HydrophobicContact CB-CE 3.85Å; I277-M356 HydrophobicContact CD1-CE 3.44Å; I277-M356 VanDerWaalsContact CD1-CE 3.44Å; I277-M356 HydrophobicContact CG1-CE 4.22Å; I277-M356 HydrophobicContact CG2-CE 3.88Å
278V82.7Confident83Confident2 Ų265.3 Ų65.31%0.01234%0.335CS..SBendtrans-139.4146.2174.6-171.10000107.5A271 P276 D282 V283 Y347 F353A271-V278 VanDerWaalsContact CA-O 3.27Å; A271-V278 WeakPolarHBondContact CA-O 3.29Å; A271-V278 VanDerWaalsContact CB-O 3.26Å; A271-V278 WeakPolarHBondContact CB-O 3.45Å; P276-V278 PolarHBondContact O-N 3.31Å; V278-D282 HydrophobicContact CG1-CB 3.69Å; V278-V283 HydrophobicContact CB-CG2 4.19Å; V278-V283 HydrophobicContact CG1-CG2 3.73Å; V278-Y347 HydrophobicContact CB-CE1 4.15Å; V278-Y347 HydrophobicContact CG1-CD1 4.47Å; V278-Y347 HydrophobicContact CG1-CE1 4.08Å; V278-Y347 HydrophobicContact CG1-CE2 4.27Å; V278-Y347 HydrophobicContact CG2-CD1 4.01Å; V278-Y347 HydrophobicContact CG2-CE1 4.03Å; V278-F353 HydrophobicContact CG2-CD2 3.44Å; V278-F353 VanDerWaalsContact CG2-CD2 3.44Å; V278-F353 HydrophobicContact CG2-CE2 3.54Å
279S85.2Confident82.7Confident42 Ų4264 Ų6429%0.29433%0.334SS..  trans-80.1159.4176.584.40000112.6E281 D282 V283S279-E281 PolarHBondContact O-N 3.11Å; S279-E281 PolarHBondContact OG-N 2.65Å; S279-D282 VanDerWaalsContact CB-OD2 3.28Å; S279-D282 WeakPolarHBondContact CB-OD2 3.39Å; S279-D282 PolarHBondContact N-OD2 3.31Å; S279-D282 PolarHBondContact O-N 2.92Å; S279-D282 PolarHBondContact OG-N 3.15Å; S279-D282 PolarHBondContact OG-OD2 2.7Å; S279-V283 WeakPolarHBondContact O-CG2 3.41Å; S279-V283 PolarHBondContact O-N 3.08Å
280H85.3Confident82.7Confident79 Ų7957.4 Ų57.437%0.36630%0.302SS..Hα-helixtrans-64.5-27.7174.4-88.5-68.5000113.3R268 A271 S272 N284R268-H280 PolarHBondContact O-CE1 3.14Å; R268-H280 VanDerWaalsContact O-CE1 3.31Å; A271-H280 HydrophobicContact CB-CB 4.49Å; A271-H280 PolarHBondContact O-NE2 2.83Å; S272-H280 PolarHBondContact N-NE2 3.34Å; S272-H280 PolarHBondContact OG-CE1 3.48Å; S272-H280 PolarHBondContact OG-NE2 3.01Å; H280-N284 WeakPolarHBondContact O-CB 3.28Å; H280-N284 VanDerWaalsContact O-CG 3.24Å; H280-N284 PolarHBondContact O-N 2.62Å; H280-N284 VanDerWaalsContact O-N 3.17Å; H280-N284 PolarHBondContact O-ND2 2.73Å
281E83.7Confident82.8Confident161 Ų16159.7 Ų59.775%0.75231%0.311SS*.Hα-helixtrans-71.9-44.6176.2-168.9166.6-171.300110.6S279 V283 N284 S285S279-E281 PolarHBondContact O-N 3.11Å; S279-E281 PolarHBondContact OG-N 2.65Å; E281-V283 PolarHBondContact O-N 3.07Å; E281-N284 PolarHBondContact O-N 2.99Å; E281-S285 PolarHBondContact O-N 2.89Å; E281-S285 PolarHBondContact O-OG 3.23Å
282D85.5Confident82.7Confident33 Ų3361.2 Ų61.218%0.17632%0.323CS..Hα-helixtrans-63.7-38.7174.8-61.3-51.8000112.5V278 S279 N284 S285 I286 V343 Y347V278-D282 HydrophobicContact CG1-CB 3.69Å; S279-D282 VanDerWaalsContact CB-OD2 3.28Å; S279-D282 WeakPolarHBondContact CB-OD2 3.39Å; S279-D282 PolarHBondContact N-OD2 3.31Å; S279-D282 PolarHBondContact O-N 2.92Å; S279-D282 PolarHBondContact OG-N 3.15Å; S279-D282 PolarHBondContact OG-OD2 2.7Å; D282-N284 VanDerWaalsContact C-N 3.33Å; D282-N284 PolarHBondContact O-N 2.82Å; D282-S285 WeakPolarHBondContact CA-OG 3.31Å; D282-S285 PolarHBondContact O-N 2.92Å; D282-S285 PolarHBondContact O-OG 2.83Å; D282-S285 VanDerWaalsContact O-OG 3.11Å; D282-I286 WeakPolarHBondContact O-CB 3.42Å; D282-I286 VanDerWaalsContact O-CG1 3.23Å; D282-I286 WeakPolarHBondContact O-CG1 3.46Å; D282-I286 PolarHBondContact O-N 2.91Å; D282-V343 HydrophobicContact CB-CG1 4.13Å; D282-Y347 HydrophobicContact CB-CE2 3.89Å; D282-Y347 WeakPolarHBondContact OD2-CE2 3.39Å; D282-Y347 PolarHBondContact OD2-OH 3.42Å
283V86.8Confident82.8Confident0 Ų057.3 Ų57.30%030%0.295CS..Hα-helixtrans-65.1-39.2174.8174.80000111.1L264 F267 R268 A271 V278 S279 E281 I286 F287L264-V283 HydrophobicContact CD1-CG1 3.66Å; F267-V283 HydrophobicContact CB-CG1 4.14Å; F267-V283 HydrophobicContact CB-CG2 3.92Å; R268-V283 HydrophobicContact CB-CG1 4.26Å; A271-V283 HydrophobicContact CB-CG2 4.21Å; V278-V283 HydrophobicContact CB-CG2 4.19Å; V278-V283 HydrophobicContact CG1-CG2 3.73Å; S279-V283 WeakPolarHBondContact O-CG2 3.41Å; S279-V283 PolarHBondContact O-N 3.08Å; E281-V283 PolarHBondContact O-N 3.07Å; V283-I286 PolarHBondContact O-N 2.84Å; V283-F287 HydrophobicContact CG1-CD2 4.04Å; V283-F287 HydrophobicContact CG1-CE2 4.35Å; V283-F287 WeakPolarHBondContact O-CD2 3.12Å; V283-F287 PolarHBondContact O-N 2.87Å; V283-F287 VanDerWaalsContact O-N 3.1Å
284N84.3Confident82.9Confident83 Ų8355.4 Ų55.444%0.44428%0.281SS..Hα-helixtrans-71.9-29.7177.5-72-15.7000112.6H280 E281 D282 L288H280-N284 WeakPolarHBondContact O-CB 3.28Å; H280-N284 VanDerWaalsContact O-CG 3.24Å; H280-N284 PolarHBondContact O-N 2.62Å; H280-N284 VanDerWaalsContact O-N 3.17Å; H280-N284 PolarHBondContact O-ND2 2.73Å; E281-N284 PolarHBondContact O-N 2.99Å; D282-N284 VanDerWaalsContact C-N 3.33Å; D282-N284 PolarHBondContact O-N 2.82Å; N284-L288 WeakPolarHBondContact O-CA 3.43Å; N284-L288 WeakPolarHBondContact O-CB 3.37Å; N284-L288 PolarHBondContact O-N 2.89Å; N284-L288 VanDerWaalsContact O-N 3.12Å
285S84.1Confident83.7Confident15 Ų1550.5 Ų50.511%0.10526%0.26CS..Hα-helixtrans-82.8-21.1173.767.10000113.7E281 D282 N336 S340E281-S285 PolarHBondContact O-N 2.89Å; E281-S285 PolarHBondContact O-OG 3.23Å; D282-S285 WeakPolarHBondContact CA-OG 3.31Å; D282-S285 PolarHBondContact O-N 2.92Å; D282-S285 PolarHBondContact O-OG 2.83Å; D282-S285 VanDerWaalsContact O-OG 3.11Å; S285-N336 PolarHBondContact O-ND2 3.06Å; S285-S340 WeakPolarHBondContact O-CB 3.36Å
286I83.8Confident84.1Confident1 Ų142.8 Ų42.81%0.00523%0.227CC..Hα-helixtrans-75-44.3169.3-69.3165.6000111.4D282 V283 S340 V343 L375D282-I286 WeakPolarHBondContact O-CB 3.42Å; D282-I286 VanDerWaalsContact O-CG1 3.23Å; D282-I286 WeakPolarHBondContact O-CG1 3.46Å; D282-I286 PolarHBondContact O-N 2.91Å; V283-I286 PolarHBondContact O-N 2.84Å; I286-S340 WeakPolarHBondContact O-CB 3.25Å; I286-V343 HydrophobicContact CD1-CG1 4.06Å; I286-V343 HydrophobicContact CG1-CB 4.29Å; I286-V343 HydrophobicContact CG1-CG1 4.01Å; I286-L375 HydrophobicContact CG2-CD1 4.07Å; I286-L375 HydrophobicContact CG2-CD2 4.28Å; I286-L375 WeakPolarHBondContact O-CD2 3.37Å
287F87.6Confident84.6Confident7 Ų739.1 Ų39.13%0.03120%0.203CC..SBendtrans-116.435.5-172.9-51.3-82.6000114.1L259 L264 F267 V283 N289 A290 I371 L375L259-F287 HydrophobicContact CD1-CD1 3.92Å; L259-F287 HydrophobicContact CD1-CE1 3.73Å; L259-F287 HydrophobicContact CG-CD1 4.42Å; L264-F287 HydrophobicContact CB-CB 4.44Å; L264-F287 HydrophobicContact CB-CD1 4.18Å; L264-F287 HydrophobicContact CB-CD2 4.02Å; L264-F287 HydrophobicContact CB-CE1 4.4Å; L264-F287 HydrophobicContact CB-CE2 4.23Å; L264-F287 HydrophobicContact CB-CG 3.98Å; L264-F287 HydrophobicContact CB-CZ 4.42Å; L264-F287 HydrophobicContact CD1-CB 3.94Å; L264-F287 HydrophobicContact CD1-CD2 3.61Å; L264-F287 HydrophobicContact CD1-CE2 4.32Å; L264-F287 HydrophobicContact CD1-CG 3.98Å; L264-F287 HydrophobicContact CD2-CB 4.13Å; L264-F287 HydrophobicContact CG-CB 4.39Å; L264-F287 HydrophobicContact CG-CD2 4.34Å; L264-F287 HydrophobicContact CG-CG 4.38Å; F267-F287 HydrophobicContact CB-CE2 4.05Å; F267-F287 AromaticContact CD2-CE2 3.53Å; F267-F287 HydrophobicContact CD2-CE2 3.53Å; F267-F287 AromaticContact CD2-CZ 3.89Å; F267-F287 HydrophobicContact CD2-CZ 3.89Å; F267-F287 HydrophobicContact CE2-CE2 4.15Å; F267-F287 HydrophobicContact CE2-CZ 4.11Å; F267-F287 AromaticContact CG-CE2 3.98Å; F267-F287 HydrophobicContact CG-CE2 3.98Å; F267-F287 HydrophobicContact CG-CZ 4.28Å; V283-F287 HydrophobicContact CG1-CD2 4.04Å; V283-F287 HydrophobicContact CG1-CE2 4.35Å; V283-F287 WeakPolarHBondContact O-CD2 3.12Å; V283-F287 PolarHBondContact O-N 2.87Å; V283-F287 VanDerWaalsContact O-N 3.1Å; F287-N289 PolarHBondContact O-N 2.8Å; F287-A290 HydrophobicContact CB-CB 4.19Å; F287-A290 WeakPolarHBondContact O-CB 3.46Å; F287-A290 PolarHBondContact O-N 2.72Å; F287-I371 HydrophobicContact CE1-CD1 4.11Å; F287-I371 HydrophobicContact CZ-CD1 3.81Å; F287-L375 HydrophobicContact CD1-CD2 3.7Å; F287-L375 HydrophobicContact CE1-CD2 3.96Å
288L81.8Confident85.1Confident50 Ų5041 Ų4126%0.26221%0.211SC..THydrogen-bonded Turntrans-47.8124.8-174.3-17565.2000111.9N284 A290 E332 Y333 N336N284-L288 WeakPolarHBondContact O-CA 3.43Å; N284-L288 WeakPolarHBondContact O-CB 3.37Å; N284-L288 PolarHBondContact O-N 2.89Å; N284-L288 VanDerWaalsContact O-N 3.12Å; L288-A290 PolarHBondContact O-N 3.46Å; L288-E332 HydrophobicContact CD2-CB 4.24Å; L288-Y333 VanDerWaalsContact O-CD2 3.22Å; L288-Y333 WeakPolarHBondContact O-CD2 3.36Å; L288-N336 HydrophobicContact CD2-CB 3.66Å
289N81.5Confident85.3Confident53 Ų5343.8 Ų43.828%0.28323%0.228SC..THydrogen-bonded Turntrans58.85.6179.9-58.3-24.7000117.4F287 E291 A292 V293 I329 E332F287-N289 PolarHBondContact O-N 2.8Å; N289-E291 VanDerWaalsContact C-N 3.34Å; N289-E291 PolarHBondContact O-N 3.22Å; N289-A292 WeakPolarHBondContact O-CB 3.41Å; N289-A292 PolarHBondContact O-N 3.39Å; N289-V293 PolarHBondContact O-N 2.97Å; N289-V293 VanDerWaalsContact O-N 3.09Å; N289-I329 HydrophobicContact CB-CG2 3.53Å; N289-E332 PolarHBondContact ND2-OE2 3.29Å
290A84Confident85.5Confident2 Ų242.1 Ų42.12%0.01722%0.216CC..Hα-helixtrans-59-36.3-172.100000114.8L259 F287 L288 V293 L294 Y333L259-A290 HydrophobicContact CD2-CB 4.49Å; F287-A290 HydrophobicContact CB-CB 4.19Å; F287-A290 WeakPolarHBondContact O-CB 3.46Å; F287-A290 PolarHBondContact O-N 2.72Å; L288-A290 PolarHBondContact O-N 3.46Å; A290-V293 PolarHBondContact O-N 3.06Å; A290-L294 PolarHBondContact O-N 3.17Å; A290-Y333 HydrophobicContact CB-CE2 4.4Å
291E85.5Confident85.7Confident61 Ų6138.9 Ų38.929%0.28520%0.201SC..Hα-helixtrans-69.3-33.2174.5-83.7170.1145.200113.1V260 L264 R268 N289 L294 F295V260-E291 HydrophobicContact CG1-CG 3.71Å; V260-E291 HydrophobicContact CG2-CG 3.99Å; L264-E291 HydrophobicContact CD2-CG 3.76Å; R268-E291 IonicContact CZ-OE2 2.73Å; R268-E291 VanDerWaalsContact NH1-CD 3.29Å; R268-E291 IonicContact NH1-OE1 3.14Å; R268-E291 PolarHBondContact NH1-OE1 2.61Å; R268-E291 VanDerWaalsContact NH1-OE1 3.09Å; R268-E291 IonicContact NH1-OE2 2.68Å; R268-E291 PolarHBondContact NH1-OE2 2.95Å; R268-E291 IonicContact NH2-OE2 3.85Å; R268-E291 PolarHBondContact NH2-OE2 3.37Å; N289-E291 VanDerWaalsContact C-N 3.34Å; N289-E291 PolarHBondContact O-N 3.22Å; E291-L294 PolarHBondContact O-N 2.99Å; E291-F295 WeakPolarHBondContact O-CB 3.35Å; E291-F295 PolarHBondContact O-N 3.39Å
292A84.5Confident85.9Confident41 Ų4136 Ų3634%0.33919%0.188SC..Hα-helixtrans-70.4-37.2176.200000111.3N289 L296N289-A292 WeakPolarHBondContact O-CB 3.41Å; N289-A292 PolarHBondContact O-N 3.39Å; A292-L296 WeakPolarHBondContact O-CB 3.38Å; A292-L296 PolarHBondContact O-N 3.37Å
293V83.5Confident86Confident2 Ų235 Ų351%0.01219%0.186CC..Hα-helixtrans-63.1-49.6172178.30000110.5L256 N289 A290 F295 L296 H297 I329 Y330L256-V293 HydrophobicContact CD1-CG1 3.9Å; L256-V293 HydrophobicContact CD2-CG1 4.25Å; N289-V293 PolarHBondContact O-N 2.97Å; N289-V293 VanDerWaalsContact O-N 3.09Å; A290-V293 PolarHBondContact O-N 3.06Å; V293-F295 VanDerWaalsContact C-N 3.34Å; V293-F295 PolarHBondContact O-N 3.32Å; V293-L296 PolarHBondContact O-N 2.94Å; V293-H297 PolarHBondContact O-CD2 3.11Å; V293-H297 VanDerWaalsContact O-CD2 3.27Å; V293-H297 PolarHBondContact O-N 3.47Å; V293-H297 VanDerWaalsContact O-N 3.17Å; V293-I329 HydrophobicContact CG2-CG2 3.99Å; V293-Y330 HydrophobicContact CG1-CE1 4.14Å; V293-Y330 HydrophobicContact CG1-CE2 4.18Å; V293-Y330 VanDerWaalsContact CG1-OH 3.3Å; V293-Y330 WeakPolarHBondContact CG1-OH 3.06Å
294L86.8Confident86Confident12 Ų1235.1 Ų35.16%0.06319%0.186CC..Hα-helixtrans-55.4-47.3176.3173.459.4000112.1V253 L256 V260 A290 E291 L296 H297 Q298V253-L294 HydrophobicContact CG1-CD1 4.08Å; L256-L294 HydrophobicContact CB-CB 4.26Å; L256-L294 HydrophobicContact CB-CD1 3.79Å; V260-L294 HydrophobicContact CB-CD2 3.92Å; V260-L294 HydrophobicContact CG1-CD2 4.21Å; V260-L294 HydrophobicContact CG2-CB 4.37Å; V260-L294 HydrophobicContact CG2-CD2 3.76Å; A290-L294 PolarHBondContact O-N 3.17Å; E291-L294 PolarHBondContact O-N 2.99Å; L294-L296 PolarHBondContact O-N 3.24Å; L294-H297 PolarHBondContact O-N 2.91Å; L294-Q298 HydrophobicContact CD1-CG 4.07Å; L294-Q298 WeakPolarHBondContact O-CB 3.5Å; L294-Q298 WeakPolarHBondContact O-CG 3.46Å; L294-Q298 PolarHBondContact O-N 3.47Å
295F88.2Confident86.1Confident115 Ų11536 Ų3650%0.50418%0.183SC..Hα-helixtrans-62.6-42.6179.7177.9-103.5000112.8E291 V293 H297 Q298 V299 I1224E291-F295 WeakPolarHBondContact O-CB 3.35Å; E291-F295 PolarHBondContact O-N 3.39Å; V293-F295 VanDerWaalsContact C-N 3.34Å; V293-F295 PolarHBondContact O-N 3.32Å; F295-H297 PolarHBondContact O-N 2.97Å; F295-Q298 PolarHBondContact O-N 3.41Å; F295-V299 HydrophobicContact CE1-CG2 4.08Å; F295-V299 HydrophobicContact CE2-CG2 4.12Å; F295-V299 HydrophobicContact CZ-CG2 3.85Å; F295-V299 WeakPolarHBondContact O-CG2 3.41Å; F295-V299 PolarHBondContact O-N 2.93Å; F295-I1224 HydrophobicContact CZ-CD1 4.07Å
296L85.6Confident86.1Confident18 Ų1839 Ų399%0.09420%0.198CC..Hα-helixtrans-58.6-47.8178.6-18066.8000111.9A292 V293 L294 V299 F300 L323 M326A292-L296 WeakPolarHBondContact O-CB 3.38Å; A292-L296 PolarHBondContact O-N 3.37Å; V293-L296 PolarHBondContact O-N 2.94Å; L294-L296 PolarHBondContact O-N 3.24Å; L296-V299 PolarHBondContact O-N 3.04Å; L296-F300 PolarHBondContact O-N 3.48Å; L296-L323 HydrophobicContact CD1-CD1 4.15Å; L296-L323 HydrophobicContact CD2-CD1 3.82Å; L296-L323 HydrophobicContact CG-CD1 3.76Å; L296-M326 HydrophobicContact CD1-CB 3.61Å; L296-M326 HydrophobicContact CD1-CG 3.76Å; L296-M326 HydrophobicContact CD2-CB 3.55Å; L296-M326 HydrophobicContact CG-CB 4.23Å
297H87Confident85.9Confident0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-73.8-29.8-178.2-73.3-90.4000112.4E249 Y252 V253 V293 L294 F295 F300 V301 Y330 Y427E249-H297 IonicContact OE1-CE1 2.76Å; E249-H297 IonicContact OE1-CG 3.47Å; E249-H297 IonicContact OE1-ND1 3.48Å; E249-H297 PolarHBondContact OE1-ND1 2.94Å; Y252-H297 HydrophobicContact CD1-CB 4.45Å; Y252-H297 AromaticContact CD1-ND1 3.93Å; Y252-H297 AromaticContact CE1-CE1 3.96Å; Y252-H297 AromaticContact CE1-CG 3.86Å; Y252-H297 AromaticContact CE1-ND1 3.77Å; V253-H297 HydrophobicContact CG2-CB 3.77Å; V293-H297 PolarHBondContact O-CD2 3.11Å; V293-H297 VanDerWaalsContact O-CD2 3.27Å; V293-H297 PolarHBondContact O-N 3.47Å; V293-H297 VanDerWaalsContact O-N 3.17Å; L294-H297 PolarHBondContact O-N 2.91Å; F295-H297 PolarHBondContact O-N 2.97Å; H297-F300 PolarHBondContact O-N 3.11Å; H297-V301 PolarHBondContact O-N 2.91Å; H297-Y330 PolarHBondContact CD2-OH 3.26Å; H297-Y330 PolarHBondContact CE1-OH 2.85Å; H297-Y330 AromaticContact NE2-CE2 3.5Å; H297-Y330 AromaticContact NE2-CZ 3.56Å; H297-Y330 PolarHBondContact NE2-OH 3.36Å; H297-Y427 PolarHBondContact CE1-OH 2.94Å; H297-Y427 PolarHBondContact ND1-OH 3.15Å
298Q89.5Confident85.4Confident84 Ų8443.8 Ų43.839%0.39322%0.221SC..Hα-helixtrans-60.8-44168-78.4177.8-20.600112.7V253 L294 F295 F300 Q302V253-Q298 HydrophobicContact CG1-CG 3.55Å; V253-Q298 HydrophobicContact CG2-CG 4.4Å; L294-Q298 HydrophobicContact CD1-CG 4.07Å; L294-Q298 WeakPolarHBondContact O-CB 3.5Å; L294-Q298 WeakPolarHBondContact O-CG 3.46Å; L294-Q298 PolarHBondContact O-N 3.47Å; F295-Q298 PolarHBondContact O-N 3.41Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; Q298-Q302 PolarHBondContact O-N 3.19Å
299V87.9Confident84.9Confident61 Ų6149 Ų4937%0.3724%0.243SC..Hα-helixtrans-65.4-39.5175.7173.40000111F295 L296 G303 L322F295-V299 HydrophobicContact CE1-CG2 4.08Å; F295-V299 HydrophobicContact CE2-CG2 4.12Å; F295-V299 HydrophobicContact CZ-CG2 3.85Å; F295-V299 WeakPolarHBondContact O-CG2 3.41Å; F295-V299 PolarHBondContact O-N 2.93Å; L296-V299 PolarHBondContact O-N 3.04Å; V299-G303 PolarHBondContact O-N 3.29Å; V299-L322 HydrophobicContact CG1-CD2 4.12Å
300F89Confident84.1Confident7 Ų751.7 Ų51.73%0.03126%0.258CS..Hα-helixtrans-65.1-49.6178.9-174.2-112.1000112.5E249 L296 H297 Q298 Q302 G303 L304 L319 F320 L323 Y427E249-F300 HydrophobicContact CG-CD1 4Å; E249-F300 HydrophobicContact CG-CE1 4.47Å; L296-F300 PolarHBondContact O-N 3.48Å; H297-F300 PolarHBondContact O-N 3.11Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; F300-Q302 PolarHBondContact O-N 2.73Å; F300-G303 WeakPolarHBondContact O-CA 3.39Å; F300-G303 PolarHBondContact O-N 2.6Å; F300-G303 VanDerWaalsContact O-N 3.09Å; F300-L304 HydrophobicContact CD1-CD1 4.09Å; F300-L304 HydrophobicContact CE1-CD1 3.77Å; F300-L304 HydrophobicContact CE1-CG 4.31Å; F300-L304 HydrophobicContact CZ-CD1 4.29Å; F300-L304 HydrophobicContact CZ-CD2 4.25Å; F300-L304 HydrophobicContact CZ-CG 4.43Å; F300-L304 PolarHBondContact O-N 3.36Å; F300-L319 HydrophobicContact CD2-CB 4.05Å; F300-L319 HydrophobicContact CE2-CB 3.75Å; F300-F320 HydrophobicContact CE2-CD1 4.35Å; F300-F320 HydrophobicContact CE2-CE1 4.38Å; F300-F320 HydrophobicContact CZ-CD1 4.18Å; F300-F320 AromaticContact CZ-CE1 3.76Å; F300-F320 HydrophobicContact CZ-CE1 3.76Å; F300-F320 HydrophobicContact CZ-CE2 4.3Å; F300-F320 AromaticContact CZ-CZ 3.83Å; F300-F320 HydrophobicContact CZ-CZ 3.83Å; F300-L323 HydrophobicContact CB-CD1 4.47Å; F300-L323 HydrophobicContact CD1-CD2 4.42Å; F300-L323 HydrophobicContact CD2-CB 4.15Å; F300-L323 HydrophobicContact CD2-CD1 4.5Å; F300-L323 HydrophobicContact CD2-CD2 4.16Å; F300-L323 HydrophobicContact CE1-CD2 4.27Å; F300-L323 HydrophobicContact CE2-CB 4.3Å; F300-L323 HydrophobicContact CE2-CD2 4.01Å; F300-L323 HydrophobicContact CG-CD1 4.42Å; F300-L323 HydrophobicContact CG-CD2 4.37Å; F300-L323 HydrophobicContact CZ-CD2 4.07Å; F300-Y427 HydrophobicContact CE1-CE1 4.19Å
301V88.4Confident82.5Confident10 Ų1059.1 Ų59.16%0.06129%0.286CS..Hα-helixtrans-65.7-37.2-179.675.40000112.7V246 E249 D250 V253 H297 G303 L304 R305V246-V301 HydrophobicContact CG1-CG2 4.37Å; E249-V301 HydrophobicContact CB-CB 4.3Å; E249-V301 HydrophobicContact CB-CG2 3.95Å; E249-V301 HydrophobicContact CG-CB 3.78Å; E249-V301 HydrophobicContact CG-CG2 4Å; D250-V301 WeakPolarHBondContact OD1-CG2 3.15Å; V253-V301 HydrophobicContact CG2-CG1 4.26Å; H297-V301 PolarHBondContact O-N 2.91Å; V301-G303 VanDerWaalsContact C-N 3.3Å; V301-G303 PolarHBondContact O-N 3.4Å; V301-L304 PolarHBondContact O-N 3.33Å; V301-R305 WeakPolarHBondContact O-CG 3.29Å; V301-R305 PolarHBondContact O-N 3.05Å
302Q89.1Confident80.8Confident101 Ų10159.8 Ų59.847%0.47230%0.295SS..Hα-helixtrans-64.1-37.8172.5-170.563.955.900111.5Q298 F300 R305 N306Q298-Q302 PolarHBondContact O-N 3.19Å; F300-Q302 PolarHBondContact O-N 2.73Å; Q302-R305 PolarHBondContact O-N 2.76Å; Q302-N306 PolarHBondContact NE2-OD1 2.98Å; Q302-N306 WeakPolarHBondContact O-CB 3.41Å; Q302-N306 PolarHBondContact O-N 3.48Å; Q302-N306 PolarHBondContact O-OD1 3.36Å; Q302-N306 VanDerWaalsContact O-OD1 3.12Å
303G87.4Confident79.4Confident13 Ų1363.1 Ų63.113%0.13431%0.311CS..Hα-helixtrans-59.9-45.1172.500000112.8V299 F300 V301 K307 L319V299-G303 PolarHBondContact O-N 3.29Å; F300-G303 WeakPolarHBondContact O-CA 3.39Å; F300-G303 PolarHBondContact O-N 2.6Å; F300-G303 VanDerWaalsContact O-N 3.09Å; V301-G303 VanDerWaalsContact C-N 3.3Å; V301-G303 PolarHBondContact O-N 3.4Å; G303-K307 WeakPolarHBondContact O-CG 3.34Å; G303-K307 PolarHBondContact O-N 2.81Å; G303-K307 VanDerWaalsContact O-N 3.12Å; G303-L319 VanDerWaalsContact C-CD1 3.44Å
304L86.7Confident78.7Confident1 Ų163.2 Ų63.21%0.00531%0.312CS..Hα-helixtrans-61.5-48.6176.1-64.6172.3000111.3L245 V246 E249 F300 V301 N306 K307 M308 L316 L319L245-L304 HydrophobicContact CD2-CD1 4.28Å; L245-L304 HydrophobicContact CD2-CD2 4.22Å; L245-L304 HydrophobicContact CG-CD1 4.07Å; V246-L304 HydrophobicContact CG2-CB 3.65Å; V246-L304 HydrophobicContact CG2-CD1 4.08Å; V246-L304 HydrophobicContact CG2-CG 4.45Å; E249-L304 HydrophobicContact CG-CD1 4.49Å; F300-L304 HydrophobicContact CD1-CD1 4.09Å; F300-L304 HydrophobicContact CE1-CD1 3.77Å; F300-L304 HydrophobicContact CE1-CG 4.31Å; F300-L304 HydrophobicContact CZ-CD1 4.29Å; F300-L304 HydrophobicContact CZ-CD2 4.25Å; F300-L304 HydrophobicContact CZ-CG 4.43Å; F300-L304 PolarHBondContact O-N 3.36Å; V301-L304 PolarHBondContact O-N 3.33Å; L304-N306 PolarHBondContact O-N 3.02Å; L304-K307 PolarHBondContact O-N 3.45Å; L304-K307 VanDerWaalsContact O-N 3.15Å; L304-M308 PolarHBondContact O-N 3.15Å; L304-L316 HydrophobicContact CD2-CD2 3.89Å; L304-L319 HydrophobicContact CD2-CD1 3.75Å; L304-L319 HydrophobicContact CG-CD1 4.2Å
305R85.7Confident78.2Confident102 Ų10266 Ų6639%0.38533%0.325SS..Hα-helixtrans-56-49.9177.5-72.4170.7170.1-829.9111.7V246 D250 V301 Q302 K307 M308 E309V246-R305 HydrophobicContact CG1-CG 4.05Å; D250-R305 IonicContact OD1-CZ 3.2Å; D250-R305 IonicContact OD1-NE 3.42Å; D250-R305 PolarHBondContact OD1-NE 3.48Å; D250-R305 VanDerWaalsContact OD1-NE 3.12Å; D250-R305 IonicContact OD1-NH2 2.69Å; D250-R305 PolarHBondContact OD1-NH2 3.49Å; D250-R305 IonicContact OD2-CZ 2.79Å; D250-R305 IonicContact OD2-NE 3.86Å; D250-R305 IonicContact OD2-NH2 3.35Å; D250-R305 PolarHBondContact OD2-NH2 2.98Å; V301-R305 WeakPolarHBondContact O-CG 3.29Å; V301-R305 PolarHBondContact O-N 3.05Å; Q302-R305 PolarHBondContact O-N 2.76Å; R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.07Å; R305-M308 VanDerWaalsContact O-CB 3.28Å; R305-M308 WeakPolarHBondContact O-CB 3.48Å; R305-M308 PolarHBondContact O-N 2.74Å; R305-E309 PolarHBondContact O-N 2.68Å
306N83.6Confident78Confident79 Ų7960.5 Ų60.542%0.42230%0.301SS..Hα-helixtrans-61.2-33.4178-68.18.8000113Q302 L304 N310Q302-N306 PolarHBondContact NE2-OD1 2.98Å; Q302-N306 WeakPolarHBondContact O-CB 3.41Å; Q302-N306 PolarHBondContact O-N 3.48Å; Q302-N306 PolarHBondContact O-OD1 3.36Å; Q302-N306 VanDerWaalsContact O-OD1 3.12Å; L304-N306 PolarHBondContact O-N 3.02Å; N306-N310 PolarHBondContact O-ND2 2.71Å
307K81.1Confident77.8Confident54 Ų5459.7 Ų59.724%0.23530%0.296CS..Hα-helixtrans-72.4-33.5174.1-71.2-74-171145.90111.9G303 L304 R305 N310 L314 Q315 L316 D318 L319G303-K307 WeakPolarHBondContact O-CG 3.34Å; G303-K307 PolarHBondContact O-N 2.81Å; G303-K307 VanDerWaalsContact O-N 3.12Å; L304-K307 PolarHBondContact O-N 3.45Å; L304-K307 VanDerWaalsContact O-N 3.15Å; R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.07Å; K307-N310 PolarHBondContact O-N 3.31Å; K307-L314 WeakPolarHBondContact O-CD1 3.42Å; K307-L314 WeakPolarHBondContact O-CG 3.32Å; K307-Q315 WeakPolarHBondContact CD-O 3.35Å; K307-Q315 VanDerWaalsContact CE-O 3.27Å; K307-Q315 WeakPolarHBondContact CE-O 3.34Å; K307-Q315 PolarHBondContact NZ-O 2.77Å; K307-L316 HydrophobicContact CB-CD2 4.18Å; K307-D318 IonicContact NZ-OD2 2.68Å; K307-D318 PolarHBondContact NZ-OD2 3.15Å; K307-L319 HydrophobicContact CG-CD1 3.95Å
308M76.2Confident77.6Confident54 Ų5462.5 Ų62.527%0.26631%0.311SS..Hα-helixtrans-64.4-37178.7-125.9167.561.500113.1F243 V246 L304 R305 N310 L314F243-M308 HydrophobicContact CD1-CE 3.8Å; F243-M308 HydrophobicContact CD1-CG 4.36Å; F243-M308 HydrophobicContact CD1-SD 3.5Å; F243-M308 WeakPolarHBondContact CD1-SD 3.35Å; F243-M308 HydrophobicContact CE1-CE 3.82Å; F243-M308 HydrophobicContact CE1-CG 3.99Å; F243-M308 HydrophobicContact CE1-SD 3.69Å; V246-M308 HydrophobicContact CB-SD 4.46Å; V246-M308 HydrophobicContact CG2-SD 3.85Å; L304-M308 PolarHBondContact O-N 3.15Å; R305-M308 VanDerWaalsContact O-CB 3.28Å; R305-M308 WeakPolarHBondContact O-CB 3.48Å; R305-M308 PolarHBondContact O-N 2.74Å; M308-N310 PolarHBondContact O-N 2.98Å; M308-L314 HydrophobicContact CG-CD2 4.38Å
309E71.7Confident77.5Confident159 Ų15959.4 Ų59.474%0.74330%0.297SS*.THydrogen-bonded Turntrans-63.5-20.4174.9-66.2177.4168.600113.5R305R305-E309 PolarHBondContact O-N 2.68Å
310N63.8Low77.4Confident110 Ų11056.6 Ų56.659%0.58828%0.28SS*.THydrogen-bonded Turntrans-104.541.7-173.9-71.9-87000112.7N306 K307 M308N306-N310 PolarHBondContact O-ND2 2.71Å; K307-N310 PolarHBondContact O-N 3.31Å; M308-N310 PolarHBondContact O-N 2.98Å
311W51.1Low77Confident158 Ų15858.9 Ų58.960%0.59829%0.293SS*.  trans-64.1140.6177.4-154.785.5000111.5N239 L314N239-W311 WeakPolarHBondContact ND2-CZ2 3.33Å; N239-W311 PolarHBondContact ND2-NE1 2.97Å; N239-W311 VanDerWaalsContact ND2-NE1 3.12Å; W311-L314 HydrophobicContact CB-CD1 4.24Å; W311-L314 HydrophobicContact CG-CD1 4.27Å
312P49.8Very low76.6Confident75 Ų7563.2 Ų63.249%0.48732%0.315SS..SBendcis-101.7-10.3162.619000116.1L314P312-L314 PolarHBondContact O-N 2.91Å
313T56.3Low76.3Confident110 Ų11058.6 Ų58.668%0.67529%0.293SS*.  trans-83.352.1-168.250.20000113.2Q315T313-Q315 PolarHBondContact O-N 3.1Å
314L67.1Low76Confident5 Ų558.6 Ų58.63%0.02629%0.29CS..  trans-66.298.8-179.6-92.877.7000112R238 V242 K307 M308 W311 P312R238-L314 PolarHBondContact NH1-O 2.96Å; R238-L314 PolarHBondContact NH2-O 3.43Å; V242-L314 HydrophobicContact CG1-CD2 3.94Å; K307-L314 WeakPolarHBondContact O-CD1 3.42Å; K307-L314 WeakPolarHBondContact O-CG 3.32Å; M308-L314 HydrophobicContact CG-CD2 4.38Å; W311-L314 HydrophobicContact CB-CD1 4.24Å; W311-L314 HydrophobicContact CG-CD1 4.27Å; P312-L314 PolarHBondContact O-N 2.91Å
315Q77.2Confident75.3Confident70 Ų7063.4 Ų63.433%0.32732%0.321SS..  trans-95.3112.5164.5-65.6172.94.500108.4K307 T313 D444K307-Q315 WeakPolarHBondContact CD-O 3.35Å; K307-Q315 VanDerWaalsContact CE-O 3.27Å; K307-Q315 WeakPolarHBondContact CE-O 3.34Å; K307-Q315 PolarHBondContact NZ-O 2.77Å; T313-Q315 PolarHBondContact O-N 3.1Å; Q315-D444 WeakPolarHBondContact CA-OD1 3.32Å; Q315-D444 HydrophobicContact CG-CB 4.39Å
316L83.9Confident74.5Confident0 Ų062.6 Ų62.60%032%0.323CS..  trans-106.1-17.8-174.7-65.8167.2000112.3V242 L304 K307 D318 L319 L434 D444V242-L316 HydrophobicContact CB-CD1 4.4Å; V242-L316 HydrophobicContact CG1-CD1 3.95Å; V242-L316 HydrophobicContact CG2-CD1 3.49Å; V242-L316 VanDerWaalsContact CG2-CD1 3.49Å; L304-L316 HydrophobicContact CD2-CD2 3.89Å; K307-L316 HydrophobicContact CB-CD2 4.18Å; L316-D318 PolarHBondContact O-N 3.18Å; L316-D318 VanDerWaalsContact O-N 3.16Å; L316-L319 HydrophobicContact CD2-CD1 4.25Å; L316-L319 WeakPolarHBondContact O-CB 3.26Å; L316-L319 PolarHBondContact O-N 2.85Å; L316-L434 HydrophobicContact CD1-CD2 4.21Å; L316-D444 VanDerWaalsContact N-CG 3.26Å; L316-D444 PolarHBondContact N-OD1 3.49Å; L316-D444 VanDerWaalsContact N-OD1 3.09Å; L316-D444 PolarHBondContact N-OD2 3.47Å
317G80.8Confident73.8Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-55.9-34-177.100000113.9L319 F320 D321 D444G317-L319 PolarHBondContact O-N 3.46Å; G317-F320 PolarHBondContact O-N 3.1Å; G317-F320 VanDerWaalsContact O-N 3.16Å; G317-D321 VanDerWaalsContact O-CG 3.3Å; G317-D321 PolarHBondContact O-N 3.37Å; G317-D444 WeakPolarHBondContact CA-OD1 3.35Å; G317-D444 PolarHBondContact N-OD1 3.4Å
318D83.8Confident73.1Confident59 Ų5957.9 Ų57.932%0.31631%0.308SS..Hα-helixtrans-57.2-30.4175.8-42.7-37.7000113.3K307 L316 L322 K447K307-D318 IonicContact NZ-OD2 2.68Å; K307-D318 PolarHBondContact NZ-OD2 3.15Å; L316-D318 PolarHBondContact O-N 3.18Å; L316-D318 VanDerWaalsContact O-N 3.16Å; D318-L322 PolarHBondContact O-N 2.81Å; D318-K447 IonicContact OD1-NZ 2.76Å; D318-K447 PolarHBondContact OD1-NZ 3.22Å
319L86.3Confident73Confident19 Ų1957 Ų5710%0.09930%0.304CS..Hα-helixtrans-81.6-35.4-179.1-59173.5000111.1F300 G303 L304 K307 L316 G317 L322 L323F300-L319 HydrophobicContact CD2-CB 4.05Å; F300-L319 HydrophobicContact CE2-CB 3.75Å; G303-L319 VanDerWaalsContact C-CD1 3.44Å; L304-L319 HydrophobicContact CD2-CD1 3.75Å; L304-L319 HydrophobicContact CG-CD1 4.2Å; K307-L319 HydrophobicContact CG-CD1 3.95Å; L316-L319 HydrophobicContact CD2-CD1 4.25Å; L316-L319 WeakPolarHBondContact O-CB 3.26Å; L316-L319 PolarHBondContact O-N 2.85Å; G317-L319 PolarHBondContact O-N 3.46Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 2.9Å; L319-L323 PolarHBondContact O-N 3.31Å
320F86.3Confident72.8Confident3 Ų349.4 Ų49.41%0.01327%0.269CS..Hα-helixtrans-69.5-39.1171.1-70.6-80.5000111.2L245 F300 G317 L322 L323 L324 Y427 L431 L448 A451L245-F320 HydrophobicContact CD2-CZ 4.14Å; F300-F320 HydrophobicContact CE2-CD1 4.35Å; F300-F320 HydrophobicContact CE2-CE1 4.38Å; F300-F320 HydrophobicContact CZ-CD1 4.18Å; F300-F320 AromaticContact CZ-CE1 3.76Å; F300-F320 HydrophobicContact CZ-CE1 3.76Å; F300-F320 HydrophobicContact CZ-CE2 4.3Å; F300-F320 AromaticContact CZ-CZ 3.83Å; F300-F320 HydrophobicContact CZ-CZ 3.83Å; G317-F320 PolarHBondContact O-N 3.1Å; G317-F320 VanDerWaalsContact O-N 3.16Å; F320-L322 PolarHBondContact O-N 2.98Å; F320-L323 PolarHBondContact O-N 2.87Å; F320-L323 VanDerWaalsContact O-N 3.08Å; F320-L324 WeakPolarHBondContact O-CB 3.35Å; F320-L324 WeakPolarHBondContact O-CD1 3.38Å; F320-L324 WeakPolarHBondContact O-CG 3.42Å; F320-L324 PolarHBondContact O-N 3.45Å; F320-Y427 HydrophobicContact CE1-CD1 4.4Å; F320-L431 HydrophobicContact CD1-CD1 4.22Å; F320-L431 HydrophobicContact CD1-CD2 4.47Å; F320-L431 HydrophobicContact CD2-CD2 4.25Å; F320-L431 HydrophobicContact CE1-CD1 4.05Å; F320-L431 HydrophobicContact CE1-CD2 4.05Å; F320-L431 HydrophobicContact CE1-CG 4.17Å; F320-L431 HydrophobicContact CE2-CD2 3.81Å; F320-L431 HydrophobicContact CZ-CD2 3.69Å; F320-L431 HydrophobicContact CZ-CG 4.18Å; F320-L448 HydrophobicContact CD2-CD2 4.04Å; F320-L448 HydrophobicContact CE2-CD2 4.16Å; F320-A451 HydrophobicContact CB-CB 3.7Å; F320-A451 HydrophobicContact CG-CB 4.18Å
321D80.5Confident73Confident55 Ų5546.4 Ų46.429%0.29425%0.251SS..Hα-helixtrans-55.2-32.4171.5-68.9-30.1000112.2G317 P325 K447G317-D321 VanDerWaalsContact O-CG 3.3Å; G317-D321 PolarHBondContact O-N 3.37Å; D321-P325 WeakPolarHBondContact O-CD 3.41Å; D321-K447 WeakPolarHBondContact OD2-CD 3.39Å; D321-K447 VanDerWaalsContact OD2-CE 3.26Å; D321-K447 WeakPolarHBondContact OD2-CE 3.13Å; D321-K447 IonicContact OD2-NZ 2.81Å; D321-K447 PolarHBondContact OD2-NZ 3.01Å
322L81.3Confident73.9Confident100 Ų10043.5 Ų43.552%0.52424%0.244SC..Hα-helixtrans-79.3-36.6175.6-177.265.3000113.1V299 D318 L319 F320V299-L322 HydrophobicContact CG1-CD2 4.12Å; D318-L322 PolarHBondContact O-N 2.81Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 2.9Å; F320-L322 PolarHBondContact O-N 2.98Å
323L81.9Confident75Confident4 Ų440.2 Ų40.22%0.02122%0.222CC..Hα-helixtrans-73.9-43.6-178.7-173.967.8000112.4L296 F300 L319 F320 M326 L327L296-L323 HydrophobicContact CD1-CD1 4.15Å; L296-L323 HydrophobicContact CD2-CD1 3.82Å; L296-L323 HydrophobicContact CG-CD1 3.76Å; F300-L323 HydrophobicContact CB-CD1 4.47Å; F300-L323 HydrophobicContact CD1-CD2 4.42Å; F300-L323 HydrophobicContact CD2-CB 4.15Å; F300-L323 HydrophobicContact CD2-CD1 4.5Å; F300-L323 HydrophobicContact CD2-CD2 4.16Å; F300-L323 HydrophobicContact CE1-CD2 4.27Å; F300-L323 HydrophobicContact CE2-CB 4.3Å; F300-L323 HydrophobicContact CE2-CD2 4.01Å; F300-L323 HydrophobicContact CG-CD1 4.42Å; F300-L323 HydrophobicContact CG-CD2 4.37Å; F300-L323 HydrophobicContact CZ-CD2 4.07Å; L319-L323 PolarHBondContact O-N 3.31Å; F320-L323 PolarHBondContact O-N 2.87Å; F320-L323 VanDerWaalsContact O-N 3.08Å; L323-M326 PolarHBondContact O-N 3.49Å; L323-M326 VanDerWaalsContact O-N 3.1Å; L323-L327 HydrophobicContact CG-CD2 4.36Å
324L81.2Confident75.6Confident14 Ų1435.7 Ų35.77%0.07320%0.195CC..G310 helixtrans-54.2-43.4-170-73.7161.1000115.5F320 M326 L327 F450 A451 K454 L455F320-L324 WeakPolarHBondContact O-CB 3.35Å; F320-L324 WeakPolarHBondContact O-CD1 3.38Å; F320-L324 WeakPolarHBondContact O-CG 3.42Å; F320-L324 PolarHBondContact O-N 3.45Å; L324-M326 PolarHBondContact O-N 3.41Å; L324-L327 HydrophobicContact CD2-CD1 4.05Å; L324-L327 PolarHBondContact O-N 2.82Å; L324-F450 HydrophobicContact CD1-CD1 4.49Å; L324-F450 HydrophobicContact CD1-CE1 4.37Å; L324-A451 HydrophobicContact CD1-CB 3.9Å; L324-K454 HydrophobicContact CD1-CB 4.42Å; L324-K454 HydrophobicContact CD2-CB 3.94Å; L324-K454 HydrophobicContact CD2-CG 3.97Å; L324-L455 HydrophobicContact CD2-CD1 4.42Å; L324-L455 HydrophobicContact CD2-CG 3.89Å
325P71.4Confident75.6Confident101 Ų10142.4 Ų42.466%0.65622%0.219SC*.G310 helixtrans-66.2-25.8-179.1-20.834.2000113.3D321D321-P325 WeakPolarHBondContact O-CD 3.41Å
326M69.7Low75.6Confident85 Ų8540.4 Ų40.442%0.41921%0.211SC..G310 helixtrans-88.9-10.6-174.4-62.6-68.7-75.500112.8L296 L323 L324 G328 I329L296-M326 HydrophobicContact CD1-CB 3.61Å; L296-M326 HydrophobicContact CD1-CG 3.76Å; L296-M326 HydrophobicContact CD2-CB 3.55Å; L296-M326 HydrophobicContact CG-CB 4.23Å; L323-M326 PolarHBondContact O-N 3.49Å; L323-M326 VanDerWaalsContact O-N 3.1Å; L324-M326 PolarHBondContact O-N 3.41Å; M326-G328 PolarHBondContact O-N 2.96Å; M326-G328 VanDerWaalsContact O-N 3.16Å; M326-I329 HydrophobicContact CB-CD1 4.48Å; M326-I329 HydrophobicContact CE-CD1 3.7Å; M326-I329 WeakPolarHBondContact O-CB 3.47Å; M326-I329 VanDerWaalsContact O-CG1 3.29Å; M326-I329 WeakPolarHBondContact O-CG1 3.42Å; M326-I329 PolarHBondContact O-N 2.89Å; M326-I329 VanDerWaalsContact O-N 3.14Å; M326-I329 HydrophobicContact SD-CD1 4.46Å
327L68.9Low75.2Confident1 Ų141.3 Ų41.31%0.00522%0.215CC..G310 helixtrans-63.4-19.2179.2-67.7174.3000113.9L323 L324 I329 Y330 L455 I458L323-L327 HydrophobicContact CG-CD2 4.36Å; L324-L327 HydrophobicContact CD2-CD1 4.05Å; L324-L327 PolarHBondContact O-N 2.82Å; L327-I329 PolarHBondContact O-N 3.18Å; L327-I329 VanDerWaalsContact O-N 3.13Å; L327-Y330 HydrophobicContact CD2-CD2 4.1Å; L327-Y330 HydrophobicContact CD2-CE2 4.17Å; L327-Y330 WeakPolarHBondContact O-CB 3.28Å; L327-Y330 PolarHBondContact O-N 3.46Å; L327-L455 HydrophobicContact CD1-CD2 3.52Å; L327-L455 HydrophobicContact CD1-CG 4.3Å; L327-I458 HydrophobicContact CB-CD1 4.11Å; L327-I458 HydrophobicContact CD1-CD1 3.94Å
328G66.9Low74.7Confident33 Ų3345.9 Ų45.934%0.3424%0.236SC..Hα-helixtrans-56.5-26.2172.200000113.5M326 Y330 Q331M326-G328 PolarHBondContact O-N 2.96Å; M326-G328 VanDerWaalsContact O-N 3.16Å; G328-Y330 PolarHBondContact O-N 2.98Å; G328-Q331 WeakPolarHBondContact O-CB 3.18Å; G328-Q331 PolarHBondContact O-N 3.27Å
329I72.7Confident74.4Confident35 Ų3548.9 Ų48.918%0.17924%0.244CC..Hα-helixtrans-61.6-31.6176-61172.8000111.6N289 V293 M326 L327 Q331 E332 Y333N289-I329 HydrophobicContact CB-CG2 3.53Å; V293-I329 HydrophobicContact CG2-CG2 3.99Å; M326-I329 HydrophobicContact CB-CD1 4.48Å; M326-I329 HydrophobicContact CE-CD1 3.7Å; M326-I329 WeakPolarHBondContact O-CB 3.47Å; M326-I329 VanDerWaalsContact O-CG1 3.29Å; M326-I329 WeakPolarHBondContact O-CG1 3.42Å; M326-I329 PolarHBondContact O-N 2.89Å; M326-I329 VanDerWaalsContact O-N 3.14Å; M326-I329 HydrophobicContact SD-CD1 4.46Å; L327-I329 PolarHBondContact O-N 3.18Å; L327-I329 VanDerWaalsContact O-N 3.13Å; I329-Q331 VanDerWaalsContact C-N 3.32Å; I329-Q331 PolarHBondContact O-N 3.43Å; I329-E332 PolarHBondContact O-N 2.82Å; I329-Y333 PolarHBondContact O-N 3.25Å
330Y69.2Low74.2Confident1 Ų148 Ų480%0.00424%0.24CC..Hα-helixtrans-68.4-28.2174.4-80-88.9000112.8Y252 V293 H297 L327 G328 E332 Y333 V334 P378Y252-Y330 WeakPolarHBondContact CE1-OH 3.43Å; Y252-Y330 PolarHBondContact OH-OH 3.16Å; V293-Y330 HydrophobicContact CG1-CE1 4.14Å; V293-Y330 HydrophobicContact CG1-CE2 4.18Å; V293-Y330 VanDerWaalsContact CG1-OH 3.3Å; V293-Y330 WeakPolarHBondContact CG1-OH 3.06Å; H297-Y330 PolarHBondContact CD2-OH 3.26Å; H297-Y330 PolarHBondContact CE1-OH 2.85Å; H297-Y330 AromaticContact NE2-CE2 3.5Å; H297-Y330 AromaticContact NE2-CZ 3.56Å; H297-Y330 PolarHBondContact NE2-OH 3.36Å; L327-Y330 HydrophobicContact CD2-CD2 4.1Å; L327-Y330 HydrophobicContact CD2-CE2 4.17Å; L327-Y330 WeakPolarHBondContact O-CB 3.28Å; L327-Y330 PolarHBondContact O-N 3.46Å; G328-Y330 PolarHBondContact O-N 2.98Å; Y330-E332 VanDerWaalsContact C-N 3.31Å; Y330-E332 PolarHBondContact O-N 3.44Å; Y330-Y333 PolarHBondContact O-N 3.02Å; Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.36Å; Y330-V334 WeakPolarHBondContact O-CG2 3.46Å; Y330-V334 PolarHBondContact O-N 2.89Å; Y330-P378 HydrophobicContact CE1-CB 4.28Å; Y330-P378 WeakPolarHBondContact CE1-O 3.37Å
331Q66.5Low74Confident47 Ų4750.5 Ų50.522%0.2225%0.253CS..Hα-helixtrans-63.3-40.4176.1-59.2-172.4-73.800110.9G328 I329 R335 M462 E465G328-Q331 WeakPolarHBondContact O-CB 3.18Å; G328-Q331 PolarHBondContact O-N 3.27Å; I329-Q331 VanDerWaalsContact C-N 3.32Å; I329-Q331 PolarHBondContact O-N 3.43Å; Q331-R335 WeakPolarHBondContact O-CB 3.4Å; Q331-R335 PolarHBondContact O-N 3.49Å; Q331-M462 HydrophobicContact CG-CE 4.24Å; Q331-M462 HydrophobicContact CG-CG 3.91Å; Q331-M462 HydrophobicContact CG-SD 3.87Å; Q331-E465 PolarHBondContact NE2-OE1 3.34Å; Q331-E465 VanDerWaalsContact NE2-OE1 3.16Å
332E69.8Low74Confident96 Ų9652.7 Ų52.745%0.44926%0.261SS..Hα-helixtrans-68.4-45.5175.7-62-168.2149.500112.2L288 N289 I329 Y330 V334 R335 N336L288-E332 HydrophobicContact CD2-CB 4.24Å; N289-E332 PolarHBondContact ND2-OE2 3.29Å; I329-E332 PolarHBondContact O-N 2.82Å; Y330-E332 VanDerWaalsContact C-N 3.31Å; Y330-E332 PolarHBondContact O-N 3.44Å; E332-V334 PolarHBondContact O-N 3.12Å; E332-R335 PolarHBondContact O-N 2.98Å; E332-N336 WeakPolarHBondContact O-CB 3.43Å; E332-N336 PolarHBondContact O-N 3.46Å
333Y73.7Confident74Confident6 Ų648.2 Ų48.22%0.02424%0.238CC..Hα-helixtrans-56.2-49.9175.9-171.5-75.1000111.2L288 A290 I329 Y330 N336 H337 L375 P378 M379L288-Y333 VanDerWaalsContact O-CD2 3.22Å; L288-Y333 WeakPolarHBondContact O-CD2 3.36Å; A290-Y333 HydrophobicContact CB-CE2 4.4Å; I329-Y333 PolarHBondContact O-N 3.25Å; Y330-Y333 PolarHBondContact O-N 3.02Å; Y333-N336 PolarHBondContact O-N 3.23Å; Y333-H337 PolarHBondContact O-N 3.03Å; Y333-L375 PolarHBondContact OH-O 3.2Å; Y333-P378 HydrophobicContact CD1-CB 4.19Å; Y333-P378 HydrophobicContact CE1-CB 3.8Å; Y333-P378 HydrophobicContact CE1-CG 4.11Å; Y333-P378 HydrophobicContact CE2-CB 4.3Å; Y333-P378 HydrophobicContact CE2-CG 4.11Å; Y333-M379 HydrophobicContact CD1-CG 3.93Å; Y333-M379 HydrophobicContact CD1-SD 3.68Å; Y333-M379 HydrophobicContact CE1-CG 3.92Å; Y333-M379 HydrophobicContact CE1-SD 3.68Å
334V68Low74.2Confident16 Ų1648 Ų4810%0.09724%0.237CC..Hα-helixtrans-64.5-46.4-178.1168.20000111.7Y330 E332 N336 H337 M379 C421 M462Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.36Å; Y330-V334 WeakPolarHBondContact O-CG2 3.46Å; Y330-V334 PolarHBondContact O-N 2.89Å; E332-V334 PolarHBondContact O-N 3.12Å; V334-N336 VanDerWaalsContact C-N 3.26Å; V334-N336 PolarHBondContact O-N 3.42Å; V334-H337 WeakPolarHBondContact O-CB 3.3Å; V334-H337 PolarHBondContact O-N 3.39Å; V334-M379 HydrophobicContact CB-CE 4.29Å; V334-M379 HydrophobicContact CB-SD 4.42Å; V334-M379 HydrophobicContact CG1-CE 4.06Å; V334-M379 HydrophobicContact CG2-CE 4.07Å; V334-M379 HydrophobicContact CG2-CG 3.84Å; V334-M379 HydrophobicContact CG2-SD 3.96Å; V334-C421 HydrophobicContact CG1-CB 4.23Å; V334-C421 HydrophobicContact CG2-CB 3.74Å; V334-M462 HydrophobicContact CB-CE 3.99Å; V334-M462 HydrophobicContact CG1-CE 4.18Å; V334-M462 HydrophobicContact CG2-CE 3.79Å
335R67.3Low74.2Confident145 Ų14550 Ų5055%0.54726%0.255SS..Hα-helixtrans-62.5-34.9178.1-168.6-177-60.1122.3-1.2111.8Q331 E332 E465Q331-R335 WeakPolarHBondContact O-CB 3.4Å; Q331-R335 PolarHBondContact O-N 3.49Å; E332-R335 PolarHBondContact O-N 2.98Å; R335-E465 IonicContact CZ-OE2 2.66Å; R335-E465 IonicContact NE-OE2 3.76Å; R335-E465 IonicContact NH2-OE1 3.53Å; R335-E465 IonicContact NH2-OE2 2.85Å; R335-E465 PolarHBondContact NH2-OE2 2.98Å
336N78.6Confident74.7Confident28 Ų2850 Ų5015%0.1525%0.246CC..Hα-helixtrans-82-18.4178.5-177.971.2000114S285 L288 E332 Y333 V334 H338 Y339 S340S285-N336 PolarHBondContact O-ND2 3.06Å; L288-N336 HydrophobicContact CD2-CB 3.66Å; E332-N336 WeakPolarHBondContact O-CB 3.43Å; E332-N336 PolarHBondContact O-N 3.46Å; Y333-N336 PolarHBondContact O-N 3.23Å; V334-N336 VanDerWaalsContact C-N 3.26Å; V334-N336 PolarHBondContact O-N 3.42Å; N336-H338 PolarHBondContact O-N 2.9Å; N336-Y339 WeakPolarHBondContact O-CA 3.29Å; N336-Y339 WeakPolarHBondContact O-CB 3.45Å; N336-Y339 PolarHBondContact O-N 3.25Å; N336-S340 PolarHBondContact O-N 2.89Å
337H75.4Confident75.2Confident19 Ų1946.8 Ų46.89%0.08823%0.23CC..Hα-helixtrans-56.8-41.6-171.1-176.863.3000114.6Y333 V334 Y339 S340 L341 M379Y333-H337 PolarHBondContact O-N 3.03Å; V334-H337 WeakPolarHBondContact O-CB 3.3Å; V334-H337 PolarHBondContact O-N 3.39Å; H337-Y339 VanDerWaalsContact C-N 3.29Å; H337-Y339 PolarHBondContact O-N 2.83Å; H337-S340 WeakPolarHBondContact CA-OG 2.91Å; H337-S340 PolarHBondContact O-N 2.91Å; H337-S340 PolarHBondContact O-OG 3.46Å; H337-L341 PolarHBondContact O-N 2.9Å; H337-M379 HydrophobicContact CB-CE 3.71Å; H337-M379 HydrophobicContact CB-SD 3.39Å; H337-M379 WeakPolarHBondContact CB-SD 3.31Å; H337-M379 VanDerWaalsContact CD2-CE 3.48Å; H337-M379 WeakPolarHBondContact CD2-CE 3.37Å
338H70.3Confident75.8Confident97 Ų9750.1 Ų50.145%0.44924%0.244SC..Hα-helixtrans-64.6-35.2177.8-16860.8000112.3N336 Q342 F417N336-H338 PolarHBondContact O-N 2.9Å; H338-Q342 PolarHBondContact O-N 2.72Å; H338-Q342 VanDerWaalsContact O-N 3.15Å; H338-F417 AromaticContact CE1-CE1 3.71Å; H338-F417 AromaticContact CE1-CZ 3.98Å
339Y77.2Confident76.4Confident122 Ų12256.2 Ų56.248%0.47826%0.264SS..Hα-helixtrans-69.6-41.7173-175.4-120.2000111.4N336 H337 L341 Q342 V343N336-Y339 WeakPolarHBondContact O-CA 3.29Å; N336-Y339 WeakPolarHBondContact O-CB 3.45Å; N336-Y339 PolarHBondContact O-N 3.25Å; H337-Y339 VanDerWaalsContact C-N 3.29Å; H337-Y339 PolarHBondContact O-N 2.83Å; Y339-L341 VanDerWaalsContact C-N 3.28Å; Y339-L341 PolarHBondContact O-N 3.04Å; Y339-Q342 PolarHBondContact O-N 3.48Å; Y339-V343 HydrophobicContact CD1-CG2 4.3Å; Y339-V343 HydrophobicContact CD2-CG2 4.15Å; Y339-V343 HydrophobicContact CE1-CG2 3.97Å; Y339-V343 HydrophobicContact CE2-CG2 3.81Å; Y339-V343 HydrophobicContact CG-CG2 4.38Å; Y339-V343 WeakPolarHBondContact O-CG2 3.11Å; Y339-V343 PolarHBondContact O-N 3.08Å
340S82.2Confident76.9Confident1 Ų160.7 Ų60.71%0.00728%0.278CS..Hα-helixtrans-56.2-41.2175.577.90000112.7S285 I286 N336 H337 L344S285-S340 WeakPolarHBondContact O-CB 3.36Å; I286-S340 WeakPolarHBondContact O-CB 3.25Å; N336-S340 PolarHBondContact O-N 2.89Å; H337-S340 WeakPolarHBondContact CA-OG 2.91Å; H337-S340 PolarHBondContact O-N 2.91Å; H337-S340 PolarHBondContact O-OG 3.46Å; S340-L344 WeakPolarHBondContact O-CB 3.45Å; S340-L344 PolarHBondContact O-N 3.44Å
341L81.8Confident77.4Confident55 Ų5565.8 Ų65.829%0.28831%0.312SS..Hα-helixtrans-71.3-35.4176.2-67.6177.7000112.4H337 Y339 A345 E372H337-L341 PolarHBondContact O-N 2.9Å; Y339-L341 VanDerWaalsContact C-N 3.28Å; Y339-L341 PolarHBondContact O-N 3.04Å; L341-A345 VanDerWaalsContact O-CB 3.3Å; L341-A345 WeakPolarHBondContact O-CB 3.37Å; L341-A345 PolarHBondContact O-N 3.09Å; L341-E372 HydrophobicContact CD2-CG 4.1Å
342Q79.7Confident78Confident100 Ų10070.1 Ų70.147%0.46733%0.332SS..Hα-helixtrans-65.1-51.4174.7-173.6-172.9-3200111.2H338 Y339 L344 A345 E346H338-Q342 PolarHBondContact O-N 2.72Å; H338-Q342 VanDerWaalsContact O-N 3.15Å; Y339-Q342 PolarHBondContact O-N 3.48Å; Q342-L344 VanDerWaalsContact C-N 3.29Å; Q342-L344 PolarHBondContact O-N 3.32Å; Q342-A345 PolarHBondContact O-N 3.12Å; Q342-A345 VanDerWaalsContact O-N 3.08Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.37Å; Q342-E346 PolarHBondContact NE2-OE1 3.1Å; Q342-E346 PolarHBondContact O-N 2.86Å
343V82.5Confident78.7Confident6 Ų665.5 Ų65.54%0.03631%0.31CS..Hα-helixtrans-58.9-43.3178.5177.10000110.2D282 I286 Y339 A345 E346 Y347D282-V343 HydrophobicContact CB-CG1 4.13Å; I286-V343 HydrophobicContact CD1-CG1 4.06Å; I286-V343 HydrophobicContact CG1-CB 4.29Å; I286-V343 HydrophobicContact CG1-CG1 4.01Å; Y339-V343 HydrophobicContact CD1-CG2 4.3Å; Y339-V343 HydrophobicContact CD2-CG2 4.15Å; Y339-V343 HydrophobicContact CE1-CG2 3.97Å; Y339-V343 HydrophobicContact CE2-CG2 3.81Å; Y339-V343 HydrophobicContact CG-CG2 4.38Å; Y339-V343 WeakPolarHBondContact O-CG2 3.11Å; Y339-V343 PolarHBondContact O-N 3.08Å; V343-A345 PolarHBondContact O-N 3.12Å; V343-E346 PolarHBondContact O-N 3.26Å; V343-Y347 HydrophobicContact CG1-CD2 3.89Å; V343-Y347 HydrophobicContact CG1-CE2 4.09Å; V343-Y347 WeakPolarHBondContact O-CD2 3.39Å; V343-Y347 PolarHBondContact O-N 3.17Å
344L84.7Confident79.2Confident1 Ų167.4 Ų67.41%0.00532%0.323CS..Hα-helixtrans-60.7-41.2174.6-179.966.3000112.9S340 Q342 Y347 K348 F353 I371 E372 L375S340-L344 WeakPolarHBondContact O-CB 3.45Å; S340-L344 PolarHBondContact O-N 3.44Å; Q342-L344 VanDerWaalsContact C-N 3.29Å; Q342-L344 PolarHBondContact O-N 3.32Å; L344-Y347 PolarHBondContact O-N 3.27Å; L344-K348 WeakPolarHBondContact O-CB 3.4Å; L344-K348 PolarHBondContact O-N 2.91Å; L344-F353 HydrophobicContact CD1-CE1 4Å; L344-F353 HydrophobicContact CD1-CZ 3.83Å; L344-I371 HydrophobicContact CD1-CD1 4.2Å; L344-I371 HydrophobicContact CD1-CG2 4.16Å; L344-I371 HydrophobicContact CD2-CG2 3.81Å; L344-E372 HydrophobicContact CD2-CG 3.93Å; L344-L375 HydrophobicContact CD2-CD1 3.93Å
345A82.4Confident79.9Confident54 Ų5473.2 Ų73.245%0.44635%0.348SS..Hα-helixtrans-68.7-34.3178.300000112.9L341 Q342 V343L341-A345 VanDerWaalsContact O-CB 3.3Å; L341-A345 WeakPolarHBondContact O-CB 3.37Å; L341-A345 PolarHBondContact O-N 3.09Å; Q342-A345 PolarHBondContact O-N 3.12Å; Q342-A345 VanDerWaalsContact O-N 3.08Å; V343-A345 PolarHBondContact O-N 3.12Å
346E80.8Confident80.8Confident102 Ų10267.5 Ų67.548%0.47733%0.328SS..Hα-helixtrans-67.6-43.6171.7-70.2176.3-154.400111Q342 V343 Q349Q342-E346 WeakPolarHBondContact CG-OE1 3.37Å; Q342-E346 PolarHBondContact NE2-OE1 3.1Å; Q342-E346 PolarHBondContact O-N 2.86Å; V343-E346 PolarHBondContact O-N 3.26Å; E346-Q349 WeakPolarHBondContact O-CB 3.49Å; E346-Q349 PolarHBondContact O-N 3.31Å
347Y81.3Confident81.2Confident18 Ų1866.3 Ų66.37%0.07132%0.322CS..Hα-helixtrans-68-33.1176.2-90-82.7000113.5I277 V278 D282 V343 L344 Q349 R350 F353I277-Y347 VanDerWaalsContact O-CE1 3.27Å; I277-Y347 WeakPolarHBondContact O-CE1 3.08Å; V278-Y347 HydrophobicContact CB-CE1 4.15Å; V278-Y347 HydrophobicContact CG1-CD1 4.47Å; V278-Y347 HydrophobicContact CG1-CE1 4.08Å; V278-Y347 HydrophobicContact CG1-CE2 4.27Å; V278-Y347 HydrophobicContact CG2-CD1 4.01Å; V278-Y347 HydrophobicContact CG2-CE1 4.03Å; D282-Y347 HydrophobicContact CB-CE2 3.89Å; D282-Y347 WeakPolarHBondContact OD2-CE2 3.39Å; D282-Y347 PolarHBondContact OD2-OH 3.42Å; V343-Y347 HydrophobicContact CG1-CD2 3.89Å; V343-Y347 HydrophobicContact CG1-CE2 4.09Å; V343-Y347 WeakPolarHBondContact O-CD2 3.39Å; V343-Y347 PolarHBondContact O-N 3.17Å; L344-Y347 PolarHBondContact O-N 3.27Å; Y347-Q349 PolarHBondContact O-N 2.87Å; Y347-Q349 VanDerWaalsContact O-N 3.09Å; Y347-R350 WeakPolarHBondContact O-CB 3.44Å; Y347-R350 PolarHBondContact O-N 3.45Å; Y347-F353 HydrophobicContact CD1-CD2 4.35Å; Y347-F353 HydrophobicContact CD1-CG 4.4Å; Y347-F353 WeakPolarHBondContact O-CD1 3.38Å
348K81Confident81.5Confident71 Ų7171.3 Ų71.331%0.30934%0.343SS..THydrogen-bonded Turntrans-60.5-15173.5-88.3-170.8166.6-177.30114.4L344 R350 F353 T354 L357 E372L344-K348 WeakPolarHBondContact O-CB 3.4Å; L344-K348 PolarHBondContact O-N 2.91Å; K348-R350 VanDerWaalsContact C-N 3.32Å; K348-F353 HydrophobicContact CG-CE1 4.15Å; K348-T354 PolarHBondContact O-OG1 2.89Å; K348-L357 HydrophobicContact CD-CD2 4.34Å; K348-L357 HydrophobicContact CG-CD2 4.36Å; K348-E372 WeakPolarHBondContact CE-OE1 3.48Å; K348-E372 VanDerWaalsContact NZ-CD 3.29Å; K348-E372 IonicContact NZ-OE1 3.41Å; K348-E372 PolarHBondContact NZ-OE1 3.31Å; K348-E372 IonicContact NZ-OE2 2.73Å; K348-E372 PolarHBondContact NZ-OE2 3.41Å; K348-E372 VanDerWaalsContact NZ-OE2 3.15Å
349Q78.9Confident82.2Confident160 Ų16074.5 Ų74.575%0.74835%0.352SS*.THydrogen-bonded Turntrans-77.7-15.4172.3-59.4176.337.300112.9E346 Y347E346-Q349 WeakPolarHBondContact O-CB 3.49Å; E346-Q349 PolarHBondContact O-N 3.31Å; Y347-Q349 PolarHBondContact O-N 2.87Å; Y347-Q349 VanDerWaalsContact O-N 3.09Å
350R84.2Confident82.5Confident129 Ų12969 Ų6949%0.48733%0.331SS..SBendtrans-88.5122.3179.2-56.8-174.7-173.2177.47.4110.4Y347 K348 E352 F353 T354Y347-R350 WeakPolarHBondContact O-CB 3.44Å; Y347-R350 PolarHBondContact O-N 3.45Å; K348-R350 VanDerWaalsContact C-N 3.32Å; R350-E352 PolarHBondContact O-N 3.26Å; R350-F353 HydrophobicContact CB-CB 4.15Å; R350-F353 PolarHBondContact O-N 2.97Å; R350-T354 PolarHBondContact O-N 3.4Å; R350-T354 PolarHBondContact O-OG1 3.44Å
351P78.4Confident82.7Confident108 Ų10870.6 Ų70.670%0.70134%0.338SS*.Hα-helixtrans-64.7-35.7-173.523.9-33.4000113.5F353 T354 H355P351-F353 PolarHBondContact O-N 3.12Å; P351-T354 PolarHBondContact O-N 3.2Å; P351-H355 WeakPolarHBondContact O-CB 3.39Å; P351-H355 PolarHBondContact O-N 3.27Å
352E79.4Confident82.7Confident138 Ų13874.7 Ų74.765%0.64536%0.355SS*.Hα-helixtrans-62.9-40.7176.3-61.3-173.8161.900112.1I277 R350 M356I277-E352 HydrophobicContact CG2-CB 4.41Å; R350-E352 PolarHBondContact O-N 3.26Å; E352-M356 PolarHBondContact O-N 3.43Å
353F85.6Confident82.9Confident0 Ų073.1 Ų73.10%035%0.347CS..Hα-helixtrans-68.9-45.5176.3177.4-98.5000111.3F267 I277 V278 L344 Y347 K348 R350 P351 H355 M356 L357F267-F353 HydrophobicContact CD2-CE2 4.26Å; F267-F353 HydrophobicContact CE1-CE2 4.23Å; F267-F353 AromaticContact CE2-CE2 3.47Å; F267-F353 HydrophobicContact CE2-CE2 3.47Å; F267-F353 VanDerWaalsContact CE2-CE2 3.47Å; F267-F353 AromaticContact CE2-CZ 3.58Å; F267-F353 HydrophobicContact CE2-CZ 3.58Å; F267-F353 AromaticContact CZ-CE2 3.45Å; F267-F353 HydrophobicContact CZ-CE2 3.45Å; F267-F353 VanDerWaalsContact CZ-CE2 3.45Å; F267-F353 AromaticContact CZ-CZ 3.5Å; F267-F353 HydrophobicContact CZ-CZ 3.5Å; I277-F353 HydrophobicContact CG2-CB 3.94Å; I277-F353 HydrophobicContact CG2-CD2 4.36Å; V278-F353 HydrophobicContact CG2-CD2 3.44Å; V278-F353 VanDerWaalsContact CG2-CD2 3.44Å; V278-F353 HydrophobicContact CG2-CE2 3.54Å; L344-F353 HydrophobicContact CD1-CE1 4Å; L344-F353 HydrophobicContact CD1-CZ 3.83Å; Y347-F353 HydrophobicContact CD1-CD2 4.35Å; Y347-F353 HydrophobicContact CD1-CG 4.4Å; Y347-F353 WeakPolarHBondContact O-CD1 3.38Å; K348-F353 HydrophobicContact CG-CE1 4.15Å; R350-F353 HydrophobicContact CB-CB 4.15Å; R350-F353 PolarHBondContact O-N 2.97Å; P351-F353 PolarHBondContact O-N 3.12Å; F353-H355 VanDerWaalsContact C-N 3.31Å; F353-H355 PolarHBondContact O-N 2.99Å; F353-M356 WeakPolarHBondContact O-CA 3.44Å; F353-M356 WeakPolarHBondContact O-CB 3.44Å; F353-M356 PolarHBondContact O-N 3.36Å; F353-M356 VanDerWaalsContact O-N 3.08Å; F353-L357 WeakPolarHBondContact O-CB 3.16Å; F353-L357 PolarHBondContact O-N 2.95Å
354T83.9Confident82.8Confident46 Ų4678.6 Ų78.628%0.28238%0.383SS..Hα-helixtrans-65.9-32.3179.2-67.90000112.5K348 R350 P351 K358K348-T354 PolarHBondContact O-OG1 2.89Å; R350-T354 PolarHBondContact O-N 3.4Å; R350-T354 PolarHBondContact O-OG1 3.44Å; P351-T354 PolarHBondContact O-N 3.2Å; T354-K358 PolarHBondContact O-N 3.39Å; T354-K358 VanDerWaalsContact O-N 3.12Å
355H83.4Confident82.5Confident137 Ų13784 Ų8463%0.63441%0.411SS*.Hα-helixtrans-69.1-39.2169.4-169.3-38.8000112.1P351 F353 L357 R359P351-H355 WeakPolarHBondContact O-CB 3.39Å; P351-H355 PolarHBondContact O-N 3.27Å; F353-H355 VanDerWaalsContact C-N 3.31Å; F353-H355 PolarHBondContact O-N 2.99Å; H355-L357 VanDerWaalsContact C-N 3.33Å; H355-R359 PolarHBondContact O-N 3.27Å
356M85.6Confident82.3Confident25 Ų2581.5 Ų81.512%0.12339%0.39CS..Hα-helixtrans-61.3-45173.1-172.8-167.2-54.200111F267 A270 I277 E352 F353 R359 L360F267-M356 HydrophobicContact CD1-SD 4.47Å; A270-M356 HydrophobicContact CB-CE 3.67Å; A270-M356 HydrophobicContact CB-SD 4.03Å; I277-M356 HydrophobicContact CB-CE 3.85Å; I277-M356 HydrophobicContact CD1-CE 3.44Å; I277-M356 VanDerWaalsContact CD1-CE 3.44Å; I277-M356 HydrophobicContact CG1-CE 4.22Å; I277-M356 HydrophobicContact CG2-CE 3.88Å; E352-M356 PolarHBondContact O-N 3.43Å; F353-M356 WeakPolarHBondContact O-CA 3.44Å; F353-M356 WeakPolarHBondContact O-CB 3.44Å; F353-M356 PolarHBondContact O-N 3.36Å; F353-M356 VanDerWaalsContact O-N 3.08Å; M356-R359 PolarHBondContact O-N 3.23Å; M356-L360 HydrophobicContact CG-CD1 4.15Å; M356-L360 WeakPolarHBondContact O-CG 3.32Å; M356-L360 PolarHBondContact O-N 3.35Å
357L86.4Confident82.1Confident3 Ų383.4 Ų83.42%0.01640%0.399CS..Hα-helixtrans-62.6-49.5-176.3-170.477.2000111.8Y263 F267 K348 F353 H355 R359 L360 E361 I371Y263-L357 HydrophobicContact CD1-CD1 4.39Å; Y263-L357 HydrophobicContact CE1-CD1 4.33Å; F267-L357 HydrophobicContact CE1-CD1 4.25Å; F267-L357 HydrophobicContact CZ-CD1 3.82Å; K348-L357 HydrophobicContact CD-CD2 4.34Å; K348-L357 HydrophobicContact CG-CD2 4.36Å; F353-L357 WeakPolarHBondContact O-CB 3.16Å; F353-L357 PolarHBondContact O-N 2.95Å; H355-L357 VanDerWaalsContact C-N 3.33Å; L357-R359 VanDerWaalsContact C-N 3.29Å; L357-R359 PolarHBondContact O-N 3.13Å; L357-L360 WeakPolarHBondContact O-CA 3.38Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.45Å; L357-E361 HydrophobicContact CG-CG 4.31Å; L357-E361 WeakPolarHBondContact O-CG 3.4Å; L357-E361 PolarHBondContact O-N 2.83Å; L357-I371 HydrophobicContact CD1-CB 4.01Å; L357-I371 HydrophobicContact CD1-CD1 4.08Å; L357-I371 HydrophobicContact CD1-CG2 3.69Å; L357-I371 HydrophobicContact CD2-CG2 3.99Å; L357-I371 HydrophobicContact CG-CG2 4.38Å
358K83Confident81.7Confident125 Ų12585.7 Ų85.754%0.54343%0.428SS..Hα-helixtrans-53.1-46.8175.7-80-167.1170.5-1660112.2T354 L360 E361 E362T354-K358 PolarHBondContact O-N 3.39Å; T354-K358 VanDerWaalsContact O-N 3.12Å; K358-L360 PolarHBondContact O-N 2.91Å; K358-L360 VanDerWaalsContact O-N 3.09Å; K358-E361 PolarHBondContact O-N 3.27Å; K358-E361 VanDerWaalsContact O-N 3.12Å; K358-E362 VanDerWaalsContact O-CB 3.31Å; K358-E362 WeakPolarHBondContact O-CB 3.4Å; K358-E362 WeakPolarHBondContact O-CG 3.45Å; K358-E362 PolarHBondContact O-N 3.05Å
359R83.4Confident81.5Confident164 Ų16484.9 Ų84.962%0.61942%0.423SS*.Hα-helixtrans-65.7-11.7178.1-160.3-17364.5157.9-1.2114H355 M356 L357H355-R359 PolarHBondContact O-N 3.27Å; M356-R359 PolarHBondContact O-N 3.23Å; L357-R359 VanDerWaalsContact C-N 3.29Å; L357-R359 PolarHBondContact O-N 3.13Å
360L84.8Confident81.7Confident7 Ų779.2 Ų79.24%0.03740%0.401CS..Hα-helixtrans-97.9-35.6172.3-63.2172.6000111.6Y263 P266 F267 M356 L357 K358 E362 K363 C366Y263-L360 HydrophobicContact CD1-CB 4.28Å; Y263-L360 HydrophobicContact CE1-CB 4.08Å; P266-L360 HydrophobicContact CB-CD1 4.01Å; P266-L360 HydrophobicContact CB-CD2 4Å; P266-L360 HydrophobicContact CG-CD2 4.12Å; F267-L360 HydrophobicContact CD1-CD1 4.07Å; F267-L360 HydrophobicContact CE1-CD1 3.77Å; M356-L360 HydrophobicContact CG-CD1 4.15Å; M356-L360 WeakPolarHBondContact O-CG 3.32Å; M356-L360 PolarHBondContact O-N 3.35Å; L357-L360 WeakPolarHBondContact O-CA 3.38Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.45Å; K358-L360 PolarHBondContact O-N 2.91Å; K358-L360 VanDerWaalsContact O-N 3.09Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-K363 HydrophobicContact CD2-CD 4.45Å; L360-K363 WeakPolarHBondContact O-CB 3.28Å; L360-K363 PolarHBondContact O-N 3.43Å; L360-C366 PolarHBondContact O-SG 2.88Å
361E85.3Confident81.8Confident34 Ų3473 Ų7316%0.15938%0.378CS..Hα-helixtrans-67.6-32.7172.6-68.5174.115600111.9Y263 L357 K358 K363 S370 I371Y263-E361 HydrophobicContact CE1-CG 4.04Å; Y263-E361 WeakPolarHBondContact OH-CG 3.4Å; L357-E361 HydrophobicContact CG-CG 4.31Å; L357-E361 WeakPolarHBondContact O-CG 3.4Å; L357-E361 PolarHBondContact O-N 2.83Å; K358-E361 PolarHBondContact O-N 3.27Å; K358-E361 VanDerWaalsContact O-N 3.12Å; E361-K363 PolarHBondContact O-N 2.94Å; E361-S370 VanDerWaalsContact OE1-CA 3.32Å; E361-S370 WeakPolarHBondContact OE1-CA 3.46Å; E361-S370 VanDerWaalsContact OE1-CB 3.29Å; E361-S370 WeakPolarHBondContact OE1-CB 3.49Å; E361-I371 PolarHBondContact OE1-N 2.89Å
362E82Confident82Confident141 Ų14170.4 Ų70.466%0.65936%0.356SS*.THydrogen-bonded Turntrans-70.3-5.7175.4-75.1161.3-170.500114.4K358 L360K358-E362 VanDerWaalsContact O-CB 3.31Å; K358-E362 WeakPolarHBondContact O-CB 3.4Å; K358-E362 WeakPolarHBondContact O-CG 3.45Å; K358-E362 PolarHBondContact O-N 3.05Å; L360-E362 VanDerWaalsContact C-N 3.34Å
363K84.1Confident82.1Confident66 Ų6665.7 Ų65.729%0.28734%0.339SS..SBendtrans-68.6139.8176.9-73176.4173.41740110.8C262 L360 E361 L365 C366C262-K363 HydrophobicContact CB-CD 4.4Å; L360-K363 HydrophobicContact CD2-CD 4.45Å; L360-K363 WeakPolarHBondContact O-CB 3.28Å; L360-K363 PolarHBondContact O-N 3.43Å; E361-K363 PolarHBondContact O-N 2.94Å; K363-L365 PolarHBondContact O-N 3.13Å; K363-L365 VanDerWaalsContact O-N 3.16Å; K363-C366 WeakPolarHBondContact O-CB 3.37Å; K363-C366 PolarHBondContact O-N 2.97Å
364P79.6Confident81.8Confident121 Ų12165.7 Ų65.779%0.78634%0.339SS*.G310 helixtrans-60.1-31.5179.423.4-33.6000113C366 E367P364-C366 PolarHBondContact O-N 3.33Å; P364-E367 PolarHBondContact O-N 3.05Å
365L79.2Confident81.7Confident116 Ų11663.5 Ų63.561%0.60733%0.325SS*.G310 helixtrans-66.9-12.3175-64.1174.7000114.5I258 K363I258-L365 WeakPolarHBondContact CD1-O 3.27Å; I258-L365 WeakPolarHBondContact CG2-O 3.22Å; K363-L365 PolarHBondContact O-N 3.13Å; K363-L365 VanDerWaalsContact O-N 3.16Å
366C79Confident81.2Confident0 Ų058.8 Ų58.80%031%0.306CS..G310 helixtrans-98.2-10.1178.5-63.90000112.9C262 L360 K363 P364 G368 R369 F374C262-C366 VanDerWaalsContact CB-SG 3.55Å; L360-C366 PolarHBondContact O-SG 2.88Å; K363-C366 WeakPolarHBondContact O-CB 3.37Å; K363-C366 PolarHBondContact O-N 2.97Å; P364-C366 PolarHBondContact O-N 3.33Å; C366-G368 PolarHBondContact O-N 3.45Å; C366-R369 WeakPolarHBondContact O-CB 3.47Å; C366-R369 PolarHBondContact O-N 3.02Å; C366-F374 HydrophobicContact CB-CE2 4.32Å
367E75.6Confident80.3Confident142 Ų14259.6 Ų59.666%0.66431%0.308SS*.THydrogen-bonded Turntrans51.227.6179.3-58.9179.716300114.7P364 R369P364-E367 PolarHBondContact O-N 3.05Å; E367-R369 PolarHBondContact O-N 2.93Å; E367-R369 IonicContact OE2-CZ 2.93Å; E367-R369 IonicContact OE2-NE 2.72Å; E367-R369 PolarHBondContact OE2-NE 3.26Å; E367-R369 IonicContact OE2-NH2 2.89Å; E367-R369 PolarHBondContact OE2-NH2 2.89Å
368G73.5Confident79.1Confident67 Ų6759.4 Ų59.469%0.69131%0.307SS*.THydrogen-bonded Turntrans69.510.6-175.500000115.1C366C366-G368 PolarHBondContact O-N 3.45Å
369R77.4Confident77.9Confident53 Ų5353.9 Ų53.920%0.228%0.283CS..  trans-82.6131.6175.6-64.3-173.4-93.2139-6.7110Y263 C366 E367 F374 Y377Y263-R369 PolarHBondContact OH-O 3.24Å; C366-R369 WeakPolarHBondContact O-CB 3.47Å; C366-R369 PolarHBondContact O-N 3.02Å; E367-R369 PolarHBondContact O-N 2.93Å; E367-R369 IonicContact OE2-CZ 2.93Å; E367-R369 IonicContact OE2-NE 2.72Å; E367-R369 PolarHBondContact OE2-NE 3.26Å; E367-R369 IonicContact OE2-NH2 2.89Å; E367-R369 PolarHBondContact OE2-NH2 2.89Å; R369-F374 HydrophobicContact CB-CD2 4.44Å; R369-F374 HydrophobicContact CB-CE2 3.67Å; R369-F374 HydrophobicContact CB-CZ 4.01Å; R369-F374 WeakPolarHBondContact O-CE2 3.5Å; R369-Y377 PolarHBondContact NH1-OH 3.28Å
370S82.9Confident76.3Confident41 Ų4149 Ų4929%0.28727%0.268SS..  trans-71.5162.2-176.4830000112.8E361 E372 S373 F374E361-S370 VanDerWaalsContact OE1-CA 3.32Å; E361-S370 WeakPolarHBondContact OE1-CA 3.46Å; E361-S370 VanDerWaalsContact OE1-CB 3.29Å; E361-S370 WeakPolarHBondContact OE1-CB 3.49Å; S370-E372 WeakPolarHBondContact CB-OE2 3.35Å; S370-E372 PolarHBondContact O-N 3.05Å; S370-E372 PolarHBondContact OG-N 3.34Å; S370-E372 PolarHBondContact OG-OE2 3.07Å; S370-S373 WeakPolarHBondContact O-CB 3.38Å; S370-S373 PolarHBondContact O-N 3.08Å; S370-F374 WeakPolarHBondContact O-CD2 3.49Å; S370-F374 PolarHBondContact O-N 3.36Å
371I86.4Confident74.2Confident0 Ų051.5 Ų51.50%028%0.279CS..Hα-helixtrans-54.4-35.5175.1-175.4170000113.1Y263 F267 F287 L344 L357 E361 S373 F374 L375Y263-I371 HydrophobicContact CD1-CB 3.98Å; Y263-I371 HydrophobicContact CD1-CD1 3.92Å; Y263-I371 HydrophobicContact CD1-CG1 4.01Å; Y263-I371 HydrophobicContact CE1-CB 3.86Å; Y263-I371 HydrophobicContact CE1-CG1 4.39Å; Y263-I371 HydrophobicContact CG-CD1 4.24Å; Y263-I371 HydrophobicContact CG-CG1 4.2Å; F267-I371 HydrophobicContact CE2-CD1 3.94Å; F267-I371 HydrophobicContact CZ-CD1 3.75Å; F287-I371 HydrophobicContact CE1-CD1 4.11Å; F287-I371 HydrophobicContact CZ-CD1 3.81Å; L344-I371 HydrophobicContact CD1-CD1 4.2Å; L344-I371 HydrophobicContact CD1-CG2 4.16Å; L344-I371 HydrophobicContact CD2-CG2 3.81Å; L357-I371 HydrophobicContact CD1-CB 4.01Å; L357-I371 HydrophobicContact CD1-CD1 4.08Å; L357-I371 HydrophobicContact CD1-CG2 3.69Å; L357-I371 HydrophobicContact CD2-CG2 3.99Å; L357-I371 HydrophobicContact CG-CG2 4.38Å; E361-I371 PolarHBondContact OE1-N 2.89Å; I371-S373 VanDerWaalsContact C-N 3.32Å; I371-S373 PolarHBondContact O-N 3.46Å; I371-F374 PolarHBondContact O-N 3.06Å; I371-L375 HydrophobicContact CD1-CD1 4.49Å; I371-L375 HydrophobicContact CG1-CD1 3.99Å; I371-L375 HydrophobicContact CG1-CG 4.21Å; I371-L375 WeakPolarHBondContact O-CB 3.32Å; I371-L375 WeakPolarHBondContact O-CG 3.48Å; I371-L375 PolarHBondContact O-N 3.15Å
372E82.6Confident71.5Confident52 Ų5254.8 Ų54.824%0.24331%0.305CS..Hα-helixtrans-61.3-40.2176.2-66.384178.100112L341 L344 K348 S370 F374 L375 T376L341-E372 HydrophobicContact CD2-CG 4.1Å; L344-E372 HydrophobicContact CD2-CG 3.93Å; K348-E372 WeakPolarHBondContact CE-OE1 3.48Å; K348-E372 VanDerWaalsContact NZ-CD 3.29Å; K348-E372 IonicContact NZ-OE1 3.41Å; K348-E372 PolarHBondContact NZ-OE1 3.31Å; K348-E372 IonicContact NZ-OE2 2.73Å; K348-E372 PolarHBondContact NZ-OE2 3.41Å; K348-E372 VanDerWaalsContact NZ-OE2 3.15Å; S370-E372 WeakPolarHBondContact CB-OE2 3.35Å; S370-E372 PolarHBondContact O-N 3.05Å; S370-E372 PolarHBondContact OG-N 3.34Å; S370-E372 PolarHBondContact OG-OE2 3.07Å; E372-F374 PolarHBondContact O-N 3.19Å; E372-L375 PolarHBondContact O-N 3.39Å; E372-T376 WeakPolarHBondContact O-CG2 3.35Å; E372-T376 PolarHBondContact O-N 3.4Å; E372-T376 PolarHBondContact O-OG1 2.96Å
373S79.7Confident69.1Low39 Ų3954.9 Ų54.927%0.27330%0.304SS..Hα-helixtrans-58.8-50.9176.2-175.50000110.1S370 I371 L375 T376 Y377S370-S373 WeakPolarHBondContact O-CB 3.38Å; S370-S373 PolarHBondContact O-N 3.08Å; I371-S373 VanDerWaalsContact C-N 3.32Å; I371-S373 PolarHBondContact O-N 3.46Å; S373-L375 PolarHBondContact O-N 3.24Å; S373-T376 PolarHBondContact O-N 3.43Å; S373-T376 VanDerWaalsContact O-N 3.09Å; S373-T376 PolarHBondContact O-OG1 3.08Å; S373-Y377 WeakPolarHBondContact O-CD2 3.5Å; S373-Y377 PolarHBondContact O-N 3.15Å
374F81Confident66.4Low1 Ų159.1 Ų59.10%0.00432%0.322CS..Hα-helixtrans-65.3-34.8178.3-68.4-73.6000113.6I258 L259 Y263 C366 R369 S370 I371 E372 T376 Y377 P378I258-F374 HydrophobicContact CB-CE1 4.14Å; I258-F374 HydrophobicContact CG2-CD1 4.21Å; I258-F374 HydrophobicContact CG2-CE1 3.63Å; I258-F374 HydrophobicContact CG2-CE2 4.35Å; I258-F374 HydrophobicContact CG2-CZ 3.71Å; L259-F374 HydrophobicContact CB-CB 4.28Å; L259-F374 HydrophobicContact CD1-CB 3.82Å; Y263-F374 HydrophobicContact CD2-CD2 4.44Å; Y263-F374 AromaticContact CE2-CD2 3.54Å; Y263-F374 HydrophobicContact CE2-CD2 3.54Å; Y263-F374 AromaticContact CE2-CE2 3.98Å; Y263-F374 HydrophobicContact CE2-CE2 3.98Å; Y263-F374 HydrophobicContact CE2-CG 4.21Å; C366-F374 HydrophobicContact CB-CE2 4.32Å; R369-F374 HydrophobicContact CB-CD2 4.44Å; R369-F374 HydrophobicContact CB-CE2 3.67Å; R369-F374 HydrophobicContact CB-CZ 4.01Å; R369-F374 WeakPolarHBondContact O-CE2 3.5Å; S370-F374 WeakPolarHBondContact O-CD2 3.49Å; S370-F374 PolarHBondContact O-N 3.36Å; I371-F374 PolarHBondContact O-N 3.06Å; E372-F374 PolarHBondContact O-N 3.19Å; F374-T376 VanDerWaalsContact C-N 3.27Å; F374-T376 PolarHBondContact O-N 3.37Å; F374-Y377 HydrophobicContact CD1-CD2 4.45Å; F374-Y377 PolarHBondContact O-N 3.34Å; F374-P378 WeakPolarHBondContact O-CD 3.46Å
375L81.6Confident64Low0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-66.9-26.6172.6-75.7171.8000113L259 I286 F287 Y333 L344 I371 E372 S373L259-L375 HydrophobicContact CD1-CD2 4.2Å; L259-L375 HydrophobicContact CD1-CG 4.43Å; I286-L375 HydrophobicContact CG2-CD1 4.07Å; I286-L375 HydrophobicContact CG2-CD2 4.28Å; I286-L375 WeakPolarHBondContact O-CD2 3.37Å; F287-L375 HydrophobicContact CD1-CD2 3.7Å; F287-L375 HydrophobicContact CE1-CD2 3.96Å; Y333-L375 PolarHBondContact OH-O 3.2Å; L344-L375 HydrophobicContact CD2-CD1 3.93Å; I371-L375 HydrophobicContact CD1-CD1 4.49Å; I371-L375 HydrophobicContact CG1-CD1 3.99Å; I371-L375 HydrophobicContact CG1-CG 4.21Å; I371-L375 WeakPolarHBondContact O-CB 3.32Å; I371-L375 WeakPolarHBondContact O-CG 3.48Å; I371-L375 PolarHBondContact O-N 3.15Å; E372-L375 PolarHBondContact O-N 3.39Å; S373-L375 PolarHBondContact O-N 3.24Å
376T72.5Confident61.5Low37 Ų3758.6 Ų58.623%0.22731%0.314CS..Hα-helixtrans-80.3-20.7172.562.20000114E372 S373 F374 M379 H380E372-T376 WeakPolarHBondContact O-CG2 3.35Å; E372-T376 PolarHBondContact O-N 3.4Å; E372-T376 PolarHBondContact O-OG1 2.96Å; S373-T376 PolarHBondContact O-N 3.43Å; S373-T376 VanDerWaalsContact O-N 3.09Å; S373-T376 PolarHBondContact O-OG1 3.08Å; F374-T376 VanDerWaalsContact C-N 3.27Å; F374-T376 PolarHBondContact O-N 3.37Å; T376-M379 CarbonylContact O-C 3.6Å; T376-M379 VanDerWaalsContact O-C 3.31Å; T376-M379 VanDerWaalsContact O-CA 3.31Å; T376-M379 WeakPolarHBondContact O-CA 3.47Å; T376-M379 WeakPolarHBondContact O-CB 3.29Å; T376-M379 PolarHBondContact O-N 3.42Å; T376-H380 WeakPolarHBondContact O-CB 3.45Å; T376-H380 PolarHBondContact O-N 3.49Å
377Y66.9Low58.9Low42 Ų4262.5 Ų62.517%0.16535%0.346CS..G310 helixtrans-55.1-41-176.1-100.8-89.7000114.9Q255 R369 S373 F374 M379 H380Q255-Y377 HydrophobicContact CB-CD1 3.92Å; Q255-Y377 HydrophobicContact CB-CE1 4.15Å; Q255-Y377 HydrophobicContact CB-CG 4.26Å; Q255-Y377 HydrophobicContact CG-CD1 3.98Å; Q255-Y377 HydrophobicContact CG-CE1 3.69Å; R369-Y377 PolarHBondContact NH1-OH 3.28Å; S373-Y377 WeakPolarHBondContact O-CD2 3.5Å; S373-Y377 PolarHBondContact O-N 3.15Å; F374-Y377 HydrophobicContact CD1-CD2 4.45Å; F374-Y377 PolarHBondContact O-N 3.34Å; Y377-M379 PolarHBondContact O-N 2.95Å; Y377-H380 PolarHBondContact O-N 2.67Å
378P61.4Low56.5Low0 Ų065.8 Ų65.80%036%0.358CS..G310 helixtrans-65.3-5.9173.6-24.437.2000115Y252 L256 Y330 Y333 F374Y252-P378 WeakPolarHBondContact OH-CA 3.27Å; L256-P378 HydrophobicContact CD2-CG 4Å; Y330-P378 HydrophobicContact CE1-CB 4.28Å; Y330-P378 WeakPolarHBondContact CE1-O 3.37Å; Y333-P378 HydrophobicContact CD1-CB 4.19Å; Y333-P378 HydrophobicContact CE1-CB 3.8Å; Y333-P378 HydrophobicContact CE1-CG 4.11Å; Y333-P378 HydrophobicContact CE2-CB 4.3Å; Y333-P378 HydrophobicContact CE2-CG 4.11Å; F374-P378 WeakPolarHBondContact O-CD 3.46Å
379M57.6Low54.1Low9 Ų967.2 Ų67.24%0.04436%0.357CS..G310 helixtrans-127.4-8.2-176.7-64.6177.954.700113.5Y333 V334 H337 T376 Y377 C421 S422Y333-M379 HydrophobicContact CD1-CG 3.93Å; Y333-M379 HydrophobicContact CD1-SD 3.68Å; Y333-M379 HydrophobicContact CE1-CG 3.92Å; Y333-M379 HydrophobicContact CE1-SD 3.68Å; V334-M379 HydrophobicContact CB-CE 4.29Å; V334-M379 HydrophobicContact CB-SD 4.42Å; V334-M379 HydrophobicContact CG1-CE 4.06Å; V334-M379 HydrophobicContact CG2-CE 4.07Å; V334-M379 HydrophobicContact CG2-CG 3.84Å; V334-M379 HydrophobicContact CG2-SD 3.96Å; H337-M379 HydrophobicContact CB-CE 3.71Å; H337-M379 HydrophobicContact CB-SD 3.39Å; H337-M379 WeakPolarHBondContact CB-SD 3.31Å; H337-M379 VanDerWaalsContact CD2-CE 3.48Å; H337-M379 WeakPolarHBondContact CD2-CE 3.37Å; T376-M379 CarbonylContact O-C 3.6Å; T376-M379 VanDerWaalsContact O-C 3.31Å; T376-M379 VanDerWaalsContact O-CA 3.31Å; T376-M379 WeakPolarHBondContact O-CA 3.47Å; T376-M379 WeakPolarHBondContact O-CB 3.29Å; T376-M379 PolarHBondContact O-N 3.42Å; Y377-M379 PolarHBondContact O-N 2.95Å; M379-C421 CarbonylContact O-C 3.59Å; M379-S422 PolarHBondContact O-N 2.9Å; M379-S422 PolarHBondContact O-OG 2.95Å
380H49.1Very low51.6Low62 Ų6272.1 Ų72.129%0.28739%0.386SS..  trans-143.5117.7-173-119.1165.4000111.5T376 Y377 H419 S422T376-H380 WeakPolarHBondContact O-CB 3.45Å; T376-H380 PolarHBondContact O-N 3.49Å; Y377-H380 PolarHBondContact O-N 2.67Å; H380-H419 AromaticContact CE1-CE1 3.53Å; H380-H419 AromaticContact CE1-CG 3.79Å; H380-H419 AromaticContact CE1-ND1 3.17Å; H380-H419 PolarHBondContact CE1-ND1 3.29Å; H380-H419 AromaticContact NE2-CE1 3.47Å; H380-H419 PolarHBondContact NE2-CE1 2.85Å; H380-H419 AromaticContact NE2-ND1 3.05Å; H380-H419 PolarHBondContact NE2-ND1 3.36Å; H380-S422 WeakPolarHBondContact CA-OG 3.29Å; H380-S422 PolarHBondContact N-OG 3.02Å
381Q41.7Very low48.7Very low58 Ų5879.3 Ų79.327%0.27142%0.415SS..  trans-135.970.5160.6-159.3-179.220.400111.9K383 S422Q381-K383 PolarHBondContact O-N 2.83Å; Q381-S422 PolarHBondContact N-OG 3.14Å
382S28.5Very low45.7Very low103 Ų10385.2 Ų85.272%0.7246%0.455SS*.  trans-82.781.4166.659.20000110.6
383K30.7Very low42.9Very low144 Ų14487.9 Ų87.963%0.62648%0.479SS*.  trans-154.965.2169.6-128.1169-169.4-74.50113.9Q381 D385Q381-K383 PolarHBondContact O-N 2.83Å; K383-D385 IonicContact NZ-OD2 2.66Å; K383-D385 PolarHBondContact NZ-OD2 3.19Å; K383-D385 PolarHBondContact O-N 3.24Å
384F28.5Very low40.2Very low154 Ų15492.7 Ų92.768%0.67551%0.507SS*.  trans-77.462162.9-112.5-72.5000110.5N386F384-N386 PolarHBondContact O-N 2.76Å
385D27.3Very low37.5Very low106 Ų106100.1 Ų100.157%0.56755%0.546SS*.  trans-75.766.1170.8-88.2-35.1000110.2K383 A387K383-D385 IonicContact NZ-OD2 2.66Å; K383-D385 PolarHBondContact NZ-OD2 3.19Å; K383-D385 PolarHBondContact O-N 3.24Å; D385-A387 PolarHBondContact O-N 3.3Å
386N28.2Very low34.8Very low121 Ų121105.1 Ų105.165%0.64758%0.581SS**  trans-71.847.8171.9-96.5-4.6000111.7F384F384-N386 PolarHBondContact O-N 2.76Å
387A24.7Very low32.6Very low82 Ų82110.3 Ų110.368%0.67861%0.606SS**  trans-115.37.7-172.400000113.5D385D385-A387 PolarHBondContact O-N 3.3Å
388K24.4Very low30.5Very low211 Ų211113.4 Ų113.492%0.91763%0.634SS**SBendtrans-135.73.7-177.3-77.9-168.1174.7-179.50117.2
389S23.3Very low29Very low96 Ų96117 Ų11767%0.67166%0.656SS**SBendtrans-108.29.7179.461.20000115.4
390I24.1Very low27.5Very low156 Ų156122.1 Ų122.180%0.868%0.683SS**  trans-126.175.3176.5-49.2-179.2000110.7
391Q22.7Very low26.4Very low193 Ų193124.7 Ų124.790%0.90270%0.699SS**  trans-151.444.7160-141.41749.200115.4
392C22.9Very low25.6Very low124 Ų124128 Ų12884%0.83872%0.723SS**SBendtrans-162.4119.7156-104.70000107.5
393S24Very low25.4Very low107 Ų107129.2 Ų129.275%0.74873%0.73SS**SBendcis-151.8119.49.7-58.70000112.2
394V23.5Very low25Very low141 Ų141132.3 Ų132.386%0.85574%0.743SS**  trans-143.8127.2153.7-179.60000107.2
395L24.8Very low24.8Very low157 Ų157134.1 Ų134.182%0.82275%0.754SS**  trans-153.872.1172.8-129.4179.6000113.9L397L395-L397 HydrophobicContact CD2-CG 4.4Å
396S24.7Very low24.6Very low105 Ų105137.1 Ų137.173%0.73477%0.769SS**  trans-168.1129.7146.459.10000111.9
397L26.4Very low24.4Very low146 Ų146142.5 Ų142.576%0.76478%0.782SS**  cis-171.6136.7-23.9-125.5157.3000110.5L395L395-L397 HydrophobicContact CD2-CG 4.4Å
398S22.9Very low24.2Very low106 Ų106147.8 Ų147.874%0.74179%0.79SS**  trans68.3151.4170.4-1300000116.6
399V28.9Very low24.1Very low76 Ų76143.7 Ų143.746%0.46179%0.787SS.*  cis-137.8160.623.2177.30000112.4K692V399-K692 HydrophobicContact CG1-CB 4.48Å
400N25.5Very low24.1Very low116 Ų116148.3 Ų148.362%0.6280%0.797SS**  trans-95.8141.3-162.7-75.9-50.4000120.1K692N400-K692 WeakPolarHBondContact O-CD 3.5Å; N400-K692 WeakPolarHBondContact O-CE 3.32Å; N400-K692 PolarHBondContact O-NZ 3.37Å
401N26.3Very low24.1Very low116 Ų116147.9 Ų147.962%0.6280%0.795SS**  trans75.999.4145.6-67.7-33.4000122.5K692N401-K692 WeakPolarHBondContact O-CE 3.4Å; N401-K692 PolarHBondContact O-NZ 3.3Å
402V25.1Very low24.1Very low128 Ų128145.9 Ų145.978%0.77679%0.789SS**  -151104.4126.4-177.70000109.9
403C25Very low24.1Very low129 Ų129148.4 Ų148.487%0.87279%0.793SS**  trans174.590.6145.1-108.70000109.1
404K22.8Very low24.1Very low208 Ų208146.8 Ų146.890%0.90479%0.793SS**  trans-13446.7-176.5-156.7177.7-176.8177.20112.7
405Q23.9Very low24.3Very low193 Ų193148 Ų14890%0.90280%0.795SS**  trans-160.975.6178.9-122.3166.1-9.300112.8
406L23.6Very low24.2Very low168 Ų168146.5 Ų146.588%0.8879%0.793SS**SBendtrans-162.722.7154.7-116.5174.2000115.7
407Y22.5Very low24.2Very low234 Ų234149.3 Ų149.392%0.91879%0.792SS**SBendtrans-144.464.8175.9-111.6-78.3000112.5
408F21.5Very low24.1Very low193 Ų193150.1 Ų150.185%0.84679%0.792SS**  trans-156.862.4165.5-139.5-84000113.6
409C22.7Very low24.6Very low126 Ų126151.9 Ų151.985%0.85179%0.788SS**  trans-154.967.7171-140.80000112.6
410H22.9Very low24.7Very low192 Ų192150.8 Ų150.889%0.88978%0.784SS**  trans-152.945167.2-130-74.4000114.4
411I23.1Very low25.4Very low147 Ų147146.6 Ų146.675%0.75476%0.763SS**  trans-128.2143.5165.4-49.4-177.9000107.4
412I24Very low26.6Very low151 Ų151142.7 Ų142.777%0.77475%0.745SS**SBendtrans78.471.4179.6-43.5-172.6000115.4
413L23.1Very low28Very low177 Ų177137.2 Ų137.293%0.92771%0.713SS**  164.9126.5121.8-89.3161.2000110.8
414G24Very low29.9Very low73 Ų73131.1 Ų131.175%0.75367%0.671SS**  trans150.345.1174.300000118.2T416G414-T416 PolarHBondContact O-N 3.42Å
415N26Very low31.7Very low167 Ų167123.4 Ų123.489%0.89364%0.643SS**  trans-72.5105.4172.6-85.9-10.6000111.5
416T23Very low33.8Very low125 Ų125116.1 Ų116.177%0.76761%0.607SS**  trans-177.7127.9138.829.60000112.7G414G414-T416 PolarHBondContact O-N 3.42Å
417F24.7Very low36.5Very low164 Ų164108.3 Ų108.372%0.71957%0.566SS**  trans41.891.6151.8-74.5-95.6000120.5H338H338-F417 AromaticContact CE1-CE1 3.71Å; H338-F417 AromaticContact CE1-CZ 3.98Å
418Q25.8Very low39.1Very low163 Ų16398.3 Ų98.376%0.76253%0.528SS*.  trans-165.892.1131.8-114176.6-7.300111.8
419H31.9Very low41.8Very low143 Ų14393 Ų9366%0.66251%0.507SS*.  trans-146.1112.1173.4-76.5-76.5000111.3H380H380-H419 AromaticContact CE1-CE1 3.53Å; H380-H419 AromaticContact CE1-CG 3.79Å; H380-H419 AromaticContact CE1-ND1 3.17Å; H380-H419 PolarHBondContact CE1-ND1 3.29Å; H380-H419 AromaticContact NE2-CE1 3.47Å; H380-H419 PolarHBondContact NE2-CE1 2.85Å; H380-H419 AromaticContact NE2-ND1 3.05Å; H380-H419 PolarHBondContact NE2-ND1 3.36Å
420S30.6Very low44.6Very low54 Ų5488.2 Ų88.238%0.37847%0.474SS..  trans-163.5119.5171.448.50000112.3
421C41.5Very low47.5Very low27 Ų2779.1 Ų79.118%0.18243%0.432CS..  trans70.9116.3179.6-162.60000116.7V334 M379 M462V334-C421 HydrophobicContact CG1-CB 4.23Å; V334-C421 HydrophobicContact CG2-CB 3.74Å; M379-C421 CarbonylContact O-C 3.59Å; C421-M462 HydrophobicContact CB-CE 3.91Å; C421-M462 VanDerWaalsContact SG-CE 3.54Å
422S51.8Low50.5Low34 Ų3476.2 Ų76.224%0.23842%0.415CS..  trans-149.112172.864.80000116.3M379 H380 Q381M379-S422 PolarHBondContact O-N 2.9Å; M379-S422 PolarHBondContact O-OG 2.95Å; H380-S422 WeakPolarHBondContact CA-OG 3.29Å; H380-S422 PolarHBondContact N-OG 3.02Å; Q381-S422 PolarHBondContact N-OG 3.14Å
423S54.7Low53.3Low14 Ų1473.1 Ų73.110%0.09840%0.397CS..Hα-helixtrans-69.8-42.9167.952.30000112.1R426S423-R426 WeakPolarHBondContact O-CB 3.5Å; S423-R426 PolarHBondContact O-N 3.26Å; S423-R426 VanDerWaalsContact O-N 3.12Å
424I64.1Low56.3Low1 Ų164.8 Ų64.81%0.00535%0.354CS..Hα-helixtrans-59.1-46.8-179.9-69.1171.2000113R426 Y427 I428 L455 I458 M462I424-R426 PolarHBondContact O-N 2.78Å; I424-Y427 PolarHBondContact O-N 2.94Å; I424-Y427 VanDerWaalsContact O-N 3.16Å; I424-I428 HydrophobicContact CG2-CD1 3.78Å; I424-I428 HydrophobicContact CG2-CG1 4.37Å; I424-I428 WeakPolarHBondContact O-CG1 3.42Å; I424-I428 PolarHBondContact O-N 3.26Å; I424-L455 HydrophobicContact CG1-CD2 4.36Å; I424-L455 HydrophobicContact CG2-CD2 3.96Å; I424-I458 HydrophobicContact CD1-CG2 3.77Å; I424-M462 HydrophobicContact CD1-SD 3.64Å
425P60.3Low59.3Low46 Ų4661.9 Ų61.930%0.29932%0.321SS..Hα-helixtrans-52.2-35.3171.6-31.335.9000114.9I428 I429P425-I428 PolarHBondContact O-N 2.85Å; P425-I429 VanDerWaalsContact O-CG1 3.29Å; P425-I429 WeakPolarHBondContact O-CG1 3.41Å; P425-I429 PolarHBondContact O-N 3.5Å
426R68.9Low62.1Low39 Ų3957.6 Ų57.615%0.14731%0.309CS..Hα-helixtrans-62.2-50.6176.7-163.1-174.691.5176.37.5110.7C248 E249 S423 I424 I428 I429 T430C248-R426 VanDerWaalsContact C-NH2 3.31Å; C248-R426 PolarHBondContact O-NH1 2.99Å; C248-R426 PolarHBondContact O-NH2 2.85Å; C248-R426 VanDerWaalsContact O-NH2 3.08Å; E249-R426 IonicContact OE2-NH2 2.84Å; E249-R426 PolarHBondContact OE2-NH2 2.85Å; S423-R426 WeakPolarHBondContact O-CB 3.5Å; S423-R426 PolarHBondContact O-N 3.26Å; S423-R426 VanDerWaalsContact O-N 3.12Å; I424-R426 PolarHBondContact O-N 2.78Å; R426-I428 VanDerWaalsContact C-N 3.32Å; R426-I428 PolarHBondContact O-N 3.37Å; R426-I429 PolarHBondContact O-N 3.18Å; R426-T430 PolarHBondContact O-N 3.08Å; R426-T430 PolarHBondContact O-OG1 3.21Å; R426-T430 VanDerWaalsContact O-OG1 3.04Å
427Y79.5Confident65Low5 Ų553.7 Ų53.72%0.0228%0.282CS..Hα-helixtrans-63.9-35.8177.7-63.2-59.6000112.7L245 E249 H297 F300 F320 I424 L431L245-Y427 HydrophobicContact CD1-CD1 4.36Å; L245-Y427 HydrophobicContact CD1-CE1 4.2Å; E249-Y427 PolarHBondContact OE1-OH 3.07Å; E249-Y427 WeakPolarHBondContact OE2-CE1 3.13Å; E249-Y427 PolarHBondContact OE2-OH 3.05Å; H297-Y427 PolarHBondContact CE1-OH 2.94Å; H297-Y427 PolarHBondContact ND1-OH 3.15Å; F300-Y427 HydrophobicContact CE1-CE1 4.19Å; F320-Y427 HydrophobicContact CE1-CD1 4.4Å; I424-Y427 PolarHBondContact O-N 2.94Å; I424-Y427 VanDerWaalsContact O-N 3.16Å; Y427-L431 WeakPolarHBondContact O-CB 3.48Å; Y427-L431 WeakPolarHBondContact O-CG 3.03Å; Y427-L431 PolarHBondContact O-N 2.97Å
428I78Confident67.8Low23 Ų2346 Ų4612%0.11825%0.248CC..Hα-helixtrans-60.8-50.2173.9-67.8170000110.3I424 P425 R426 L431 H432 L455 E456I424-I428 HydrophobicContact CG2-CD1 3.78Å; I424-I428 HydrophobicContact CG2-CG1 4.37Å; I424-I428 WeakPolarHBondContact O-CG1 3.42Å; I424-I428 PolarHBondContact O-N 3.26Å; P425-I428 PolarHBondContact O-N 2.85Å; R426-I428 VanDerWaalsContact C-N 3.32Å; R426-I428 PolarHBondContact O-N 3.37Å; I428-L431 PolarHBondContact O-N 2.81Å; I428-H432 PolarHBondContact O-CD2 3.47Å; I428-H432 PolarHBondContact O-N 2.84Å; I428-L455 HydrophobicContact CD1-CB 4.27Å; I428-L455 HydrophobicContact CG1-CB 3.72Å; I428-E456 HydrophobicContact CD1-CG 4.07Å; I428-E456 HydrophobicContact CG1-CG 4.27Å; I428-E456 HydrophobicContact CG2-CG 4.1Å
429I76.8Confident70.1Confident82 Ų8240.1 Ų40.142%0.42122%0.224SC..Hα-helixtrans-61.7-52178.9-67.5164000110.9P425 R426 L431 H432 E433P425-I429 VanDerWaalsContact O-CG1 3.29Å; P425-I429 WeakPolarHBondContact O-CG1 3.41Å; P425-I429 PolarHBondContact O-N 3.5Å; R426-I429 PolarHBondContact O-N 3.18Å; I429-L431 VanDerWaalsContact C-N 3.3Å; I429-L431 PolarHBondContact O-N 2.93Å; I429-H432 PolarHBondContact O-N 3Å; I429-H432 VanDerWaalsContact O-N 3.12Å; I429-E433 PolarHBondContact O-N 2.94Å
430T81.3Confident72.2Confident25 Ų2542.6 Ų42.615%0.15323%0.229CC..Hα-helixtrans-63.4-34.5-178.7-51.90000112.1I241 L245 R426 L434I241-T430 HydrophobicContact CG2-CG2 3.77Å; L245-T430 HydrophobicContact CB-CG2 4.24Å; L245-T430 HydrophobicContact CD1-CG2 4.25Å; R426-T430 PolarHBondContact O-N 3.08Å; R426-T430 PolarHBondContact O-OG1 3.21Å; R426-T430 VanDerWaalsContact O-OG1 3.04Å; T430-L434 WeakPolarHBondContact O-CB 3.25Å; T430-L434 PolarHBondContact O-N 3.09Å
431L85.2Confident74.2Confident2 Ų247.8 Ų47.81%0.0125%0.252CS..Hα-helixtrans-70.3-38.8173-76.9171.8000112.6F320 Y427 I428 I429 L434 L435 L448 A451 T452 L455F320-L431 HydrophobicContact CD1-CD1 4.22Å; F320-L431 HydrophobicContact CD1-CD2 4.47Å; F320-L431 HydrophobicContact CD2-CD2 4.25Å; F320-L431 HydrophobicContact CE1-CD1 4.05Å; F320-L431 HydrophobicContact CE1-CD2 4.05Å; F320-L431 HydrophobicContact CE1-CG 4.17Å; F320-L431 HydrophobicContact CE2-CD2 3.81Å; F320-L431 HydrophobicContact CZ-CD2 3.69Å; F320-L431 HydrophobicContact CZ-CG 4.18Å; Y427-L431 WeakPolarHBondContact O-CB 3.48Å; Y427-L431 WeakPolarHBondContact O-CG 3.03Å; Y427-L431 PolarHBondContact O-N 2.97Å; I428-L431 PolarHBondContact O-N 2.81Å; I429-L431 VanDerWaalsContact C-N 3.3Å; I429-L431 PolarHBondContact O-N 2.93Å; L431-L434 HydrophobicContact CD2-CD2 4.46Å; L431-L434 PolarHBondContact O-N 2.87Å; L431-L435 WeakPolarHBondContact O-CB 3.49Å; L431-L435 VanDerWaalsContact O-CG 3.24Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.38Å; L431-L448 HydrophobicContact CD2-CB 4.5Å; L431-L448 HydrophobicContact CD2-CD2 3.72Å; L431-A451 HydrophobicContact CD1-CB 4.09Å; L431-T452 WeakPolarHBondContact CB-OG1 3.2Å; L431-L455 HydrophobicContact CD1-CD1 3.44Å; L431-L455 VanDerWaalsContact CD1-CD1 3.44Å
432H85.2Confident76Confident86 Ų8648.3 Ų48.340%0.39825%0.252SS..Hα-helixtrans-63-41173.7-87.8-66.1000112.2I428 I429 L435 A436 T452 E456I428-H432 PolarHBondContact O-CD2 3.47Å; I428-H432 PolarHBondContact O-N 2.84Å; I429-H432 PolarHBondContact O-N 3Å; I429-H432 VanDerWaalsContact O-N 3.12Å; H432-L435 PolarHBondContact O-N 3.43Å; H432-A436 WeakPolarHBondContact O-CB 3.27Å; H432-A436 PolarHBondContact O-N 3.42Å; H432-T452 WeakPolarHBondContact NE2-CG2 3.42Å; H432-E456 IonicContact CD2-OE1 2.69Å; H432-E456 IonicContact CE1-OE1 2.94Å; H432-E456 IonicContact NE2-OE1 3.87Å; H432-E456 PolarHBondContact NE2-OE1 3.29Å
433E82.9Confident77.3Confident85 Ų8551.9 Ų51.940%0.39727%0.272SS..Hα-helixtrans-67.3-43.3174.2-67.8-176.7152.900111.9I241 I429 L435 A436 H437I241-E433 HydrophobicContact CD1-CB 3.97Å; I429-E433 PolarHBondContact O-N 2.94Å; E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 2.86Å; E433-A436 WeakPolarHBondContact O-CB 3.37Å; E433-A436 PolarHBondContact O-N 3.23Å; E433-H437 PolarHBondContact O-N 3.44Å
434L86Confident78.5Confident2 Ų251.3 Ų51.31%0.0127%0.268CS..Hα-helixtrans-62.8-36.8175.2-170.470.6000111.5R238 I241 V242 L316 T430 L431 H437 T438 L448R238-L434 HydrophobicContact CG-CD1 3.63Å; I241-L434 HydrophobicContact CB-CD1 4.4Å; I241-L434 HydrophobicContact CG2-CB 4.19Å; I241-L434 HydrophobicContact CG2-CD1 4.2Å; V242-L434 HydrophobicContact CG2-CD1 3.61Å; L316-L434 HydrophobicContact CD1-CD2 4.21Å; T430-L434 WeakPolarHBondContact O-CB 3.25Å; T430-L434 PolarHBondContact O-N 3.09Å; L431-L434 HydrophobicContact CD2-CD2 4.46Å; L431-L434 PolarHBondContact O-N 2.87Å; L434-H437 CarbonylContact O-C 3.5Å; L434-H437 PolarHBondContact O-N 3.31Å; L434-T438 WeakPolarHBondContact O-CB 3.36Å; L434-T438 PolarHBondContact O-N 3.09Å; L434-T438 PolarHBondContact O-OG1 3.46Å; L434-L448 HydrophobicContact CD2-CD1 3.84Å; L434-L448 HydrophobicContact CD2-CD2 4.06Å; L434-L448 HydrophobicContact CG-CD1 4.26Å
435L86.6Confident79.5Confident13 Ų1352.8 Ų52.87%0.06827%0.274CS..Hα-helixtrans-72.1-33.7174.6-79.6173000112.9L431 H432 E433 H437 T438 R445 L448 E449 T452L431-L435 WeakPolarHBondContact O-CB 3.49Å; L431-L435 VanDerWaalsContact O-CG 3.24Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.38Å; H432-L435 PolarHBondContact O-N 3.43Å; E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 2.86Å; L435-H437 PolarHBondContact O-N 3.49Å; L435-T438 PolarHBondContact O-N 2.73Å; L435-R445 HydrophobicContact CD2-CG 3.69Å; L435-R445 PolarHBondContact O-NH1 3.28Å; L435-L448 HydrophobicContact CD2-CB 3.66Å; L435-L448 HydrophobicContact CG-CB 4.11Å; L435-E449 HydrophobicContact CD1-CG 4.06Å; L435-E449 HydrophobicContact CD2-CG 3.84Å; L435-T452 WeakPolarHBondContact CD1-OG1 3.49Å
436A85.6Confident80.6Confident76 Ų7659.2 Ų59.263%0.62830%0.297SS*.Hα-helixtrans-62.1-34.8172.500000111.5H432 E433H432-A436 WeakPolarHBondContact O-CB 3.27Å; H432-A436 PolarHBondContact O-N 3.42Å; E433-A436 WeakPolarHBondContact O-CB 3.37Å; E433-A436 PolarHBondContact O-N 3.23Å
437H84.2Confident81.3Confident43 Ų4360.7 Ų60.720%0.19930%0.304CS..THydrogen-bonded Turntrans-99.26.5178.2-69.7-61.5000115.2S234 R237 R238 I241 E433 L434 L435S234-H437 PolarHBondContact OG-ND1 3.03Å; R237-H437 WeakPolarHBondContact CD-CE1 3.48Å; R238-H437 HydrophobicContact CB-CB 3.91Å; I241-H437 HydrophobicContact CD1-CB 4.49Å; E433-H437 PolarHBondContact O-N 3.44Å; L434-H437 CarbonylContact O-C 3.5Å; L434-H437 PolarHBondContact O-N 3.31Å; L435-H437 PolarHBondContact O-N 3.49Å
438T82.5Confident81.7Confident3 Ų360.5 Ų60.52%0.01830%0.304CS..SBendtrans-103.5113.8175.9-66.50000110.6R238 L434 L435 H442 R445R238-T438 WeakPolarHBondContact CD-OG1 3.49Å; R238-T438 PolarHBondContact NE-OG1 2.98Å; L434-T438 WeakPolarHBondContact O-CB 3.36Å; L434-T438 PolarHBondContact O-N 3.09Å; L434-T438 PolarHBondContact O-OG1 3.46Å; L435-T438 PolarHBondContact O-N 2.73Å; T438-H442 HydrophobicContact CG2-CB 3.6Å; T438-R445 HydrophobicContact CG2-CB 3.88Å; T438-R445 HydrophobicContact CG2-CG 4.12Å; T438-R445 PolarHBondContact O-NH1 3.21Å
439P74.1Confident82Confident39 Ų3961.9 Ų61.925%0.25331%0.31SS..  trans-54.9150.2-179.6-27.334.9000114M235 D441 H442M235-P439 HydrophobicContact SD-CG 4.45Å; P439-D441 VanDerWaalsContact C-N 3.26Å; P439-D441 PolarHBondContact O-N 2.66Å; P439-H442 WeakPolarHBondContact O-CB 3.16Å; P439-H442 PolarHBondContact O-N 2.85Å
440Y76.3Confident82.5Confident196 Ų19663.7 Ų63.777%0.76932%0.315SS*.THydrogen-bonded Turntrans-58.3-33.9-177.7-69.8-72000114.1H442Y440-H442 VanDerWaalsContact C-N 3.32Å
441D72.7Confident82.6Confident162 Ų16262.5 Ų62.587%0.86631%0.307SS*.THydrogen-bonded Turntrans-82.8-2.9177.4-59.9-59000114.2P439 V443P439-D441 VanDerWaalsContact C-N 3.26Å; P439-D441 PolarHBondContact O-N 2.66Å; D441-V443 PolarHBondContact O-N 3.02Å
442H80.4Confident82.5Confident38 Ų3862.5 Ų62.518%0.17631%0.308CS..  trans-69.2127.2-177.7-169.2-98.1000110.9R238 T438 P439 Y440 D444 R445R238-H442 PolarHBondContact NH2-CE1 3Å; R238-H442 VanDerWaalsContact NH2-CE1 3.32Å; T438-H442 HydrophobicContact CG2-CB 3.6Å; P439-H442 WeakPolarHBondContact O-CB 3.16Å; P439-H442 PolarHBondContact O-N 2.85Å; Y440-H442 VanDerWaalsContact C-N 3.32Å; H442-D444 VanDerWaalsContact CE1-CB 3.48Å; H442-D444 WeakPolarHBondContact CE1-CB 3.49Å; H442-D444 VanDerWaalsContact ND1-CB 3.3Å; H442-D444 WeakPolarHBondContact ND1-CB 3.27Å; H442-D444 PolarHBondContact O-N 3.06Å; H442-R445 WeakPolarHBondContact O-CB 3.32Å; H442-R445 PolarHBondContact O-N 3.44Å
443V77.9Confident82.4Confident109 Ų10961.9 Ų61.966%0.66131%0.313SS*.THydrogen-bonded Turntrans-50.8-36.6-171.7-155.10000113.1D441D441-V443 PolarHBondContact O-N 3.02Å
444D81.1Confident82.1Confident3 Ų361.3 Ų61.32%0.01631%0.309CS..THydrogen-bonded Turntrans-77.7-22.1-175.5-153.238.4000113.7R238 Q315 L316 G317 H442 K446 K447 L448R238-D444 IonicContact NH2-OD2 3.17Å; R238-D444 PolarHBondContact NH2-OD2 2.89Å; Q315-D444 WeakPolarHBondContact CA-OD1 3.32Å; Q315-D444 HydrophobicContact CG-CB 4.39Å; L316-D444 VanDerWaalsContact N-CG 3.26Å; L316-D444 PolarHBondContact N-OD1 3.49Å; L316-D444 VanDerWaalsContact N-OD1 3.09Å; L316-D444 PolarHBondContact N-OD2 3.47Å; G317-D444 WeakPolarHBondContact CA-OD1 3.35Å; G317-D444 PolarHBondContact N-OD1 3.4Å; H442-D444 VanDerWaalsContact CE1-CB 3.48Å; H442-D444 WeakPolarHBondContact CE1-CB 3.49Å; H442-D444 VanDerWaalsContact ND1-CB 3.3Å; H442-D444 WeakPolarHBondContact ND1-CB 3.27Å; H442-D444 PolarHBondContact O-N 3.06Å; D444-K446 VanDerWaalsContact C-N 3.28Å; D444-K446 PolarHBondContact O-N 3.17Å; D444-K446 VanDerWaalsContact O-N 3.16Å; D444-K447 WeakPolarHBondContact O-CB 3.41Å; D444-K447 PolarHBondContact O-N 3.4Å; D444-L448 HydrophobicContact CB-CD1 4.47Å; D444-L448 PolarHBondContact O-N 3.21Å; D444-L448 VanDerWaalsContact O-N 3.11Å
445R85.1Confident81.7Confident32 Ų3261.3 Ų61.312%0.12131%0.309CS..Hα-helixtrans-58.9-38-167.5-168.1-175.5164.195.415.2112.6L435 T438 H442 K447 L448 E449L435-R445 HydrophobicContact CD2-CG 3.69Å; L435-R445 PolarHBondContact O-NH1 3.28Å; T438-R445 HydrophobicContact CG2-CB 3.88Å; T438-R445 HydrophobicContact CG2-CG 4.12Å; T438-R445 PolarHBondContact O-NH1 3.21Å; H442-R445 WeakPolarHBondContact O-CB 3.32Å; H442-R445 PolarHBondContact O-N 3.44Å; R445-K447 VanDerWaalsContact C-N 3.32Å; R445-K447 PolarHBondContact O-N 2.89Å; R445-L448 PolarHBondContact O-N 3.35Å; R445-E449 HydrophobicContact CG-CG 4.48Å; R445-E449 IonicContact CZ-OE1 3.35Å; R445-E449 VanDerWaalsContact CZ-OE1 3.3Å; R445-E449 IonicContact NE-OE1 2.81Å; R445-E449 PolarHBondContact NE-OE1 3.28Å; R445-E449 IonicContact NH2-OE1 2.97Å; R445-E449 PolarHBondContact NH2-OE1 3.16Å; R445-E449 PolarHBondContact O-N 3.39Å
446K82.7Confident81.2Confident180 Ų18063.3 Ų63.378%0.78332%0.318SS*.Hα-helixtrans-64.4-34178.2-68.6-169.9177.1-172.20113.2D444 F450D444-K446 VanDerWaalsContact C-N 3.28Å; D444-K446 PolarHBondContact O-N 3.17Å; D444-K446 VanDerWaalsContact O-N 3.16Å; K446-F450 WeakPolarHBondContact O-CB 3.34Å; K446-F450 PolarHBondContact O-N 3.08Å; K446-F450 VanDerWaalsContact O-N 3.11Å
447K83.8Confident80.5Confident71 Ų7164.4 Ų64.431%0.30931%0.31SS..Hα-helixtrans-73.6-40.6175.3-68.2-167.6166.2-150.40111.2D318 D321 D444 R445 F450 A451D318-K447 IonicContact OD1-NZ 2.76Å; D318-K447 PolarHBondContact OD1-NZ 3.22Å; D321-K447 WeakPolarHBondContact OD2-CD 3.39Å; D321-K447 VanDerWaalsContact OD2-CE 3.26Å; D321-K447 WeakPolarHBondContact OD2-CE 3.13Å; D321-K447 IonicContact OD2-NZ 2.81Å; D321-K447 PolarHBondContact OD2-NZ 3.01Å; D444-K447 WeakPolarHBondContact O-CB 3.41Å; D444-K447 PolarHBondContact O-N 3.4Å; R445-K447 VanDerWaalsContact C-N 3.32Å; R445-K447 PolarHBondContact O-N 2.89Å; K447-F450 PolarHBondContact O-N 3.13Å; K447-A451 WeakPolarHBondContact O-CB 3.44Å; K447-A451 PolarHBondContact O-N 3.41Å
448L86.7Confident79.8Confident0 Ų063.2 Ų63.20%031%0.305CS..Hα-helixtrans-65.1-41.1175.6-60.5174.7000111.9F320 L431 L434 L435 D444 R445 A451 T452F320-L448 HydrophobicContact CD2-CD2 4.04Å; F320-L448 HydrophobicContact CE2-CD2 4.16Å; L431-L448 HydrophobicContact CD2-CB 4.5Å; L431-L448 HydrophobicContact CD2-CD2 3.72Å; L434-L448 HydrophobicContact CD2-CD1 3.84Å; L434-L448 HydrophobicContact CD2-CD2 4.06Å; L434-L448 HydrophobicContact CG-CD1 4.26Å; L435-L448 HydrophobicContact CD2-CB 3.66Å; L435-L448 HydrophobicContact CG-CB 4.11Å; D444-L448 HydrophobicContact CB-CD1 4.47Å; D444-L448 PolarHBondContact O-N 3.21Å; D444-L448 VanDerWaalsContact O-N 3.11Å; R445-L448 PolarHBondContact O-N 3.35Å; L448-A451 PolarHBondContact O-N 2.93Å; L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 2.92Å; L448-T452 PolarHBondContact O-OG1 3.26Å
449E86.1Confident79Confident52 Ų5264.8 Ų64.824%0.24332%0.316CS..Hα-helixtrans-62.6-40.6171.9-75.9-173.4-163.400111.9L435 R445 S453 K967L435-E449 HydrophobicContact CD1-CG 4.06Å; L435-E449 HydrophobicContact CD2-CG 3.84Å; R445-E449 HydrophobicContact CG-CG 4.48Å; R445-E449 IonicContact CZ-OE1 3.35Å; R445-E449 VanDerWaalsContact CZ-OE1 3.3Å; R445-E449 IonicContact NE-OE1 2.81Å; R445-E449 PolarHBondContact NE-OE1 3.28Å; R445-E449 IonicContact NH2-OE1 2.97Å; R445-E449 PolarHBondContact NH2-OE1 3.16Å; R445-E449 PolarHBondContact O-N 3.39Å; E449-S453 WeakPolarHBondContact O-CB 3.38Å; E449-S453 PolarHBondContact O-N 3.06Å; E449-K967 IonicContact OE2-NZ 3.85Å; E449-K967 PolarHBondContact OE2-NZ 2.59Å
450F85.2Confident78.5Confident120 Ų12067.9 Ų67.953%0.52633%0.327SS..Hα-helixtrans-64.3-44.6174.5175.6-107.6000112.4L324 K446 K447 S453 K454L324-F450 HydrophobicContact CD1-CD1 4.49Å; L324-F450 HydrophobicContact CD1-CE1 4.37Å; K446-F450 WeakPolarHBondContact O-CB 3.34Å; K446-F450 PolarHBondContact O-N 3.08Å; K446-F450 VanDerWaalsContact O-N 3.11Å; K447-F450 PolarHBondContact O-N 3.13Å; F450-S453 PolarHBondContact O-N 2.92Å; F450-K454 WeakPolarHBondContact O-CB 3.39Å; F450-K454 PolarHBondContact O-N 2.95Å
451A84.2Confident77.9Confident0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-63.4-43.2177.900000112.3F320 L324 L431 K447 L448 K454 L455F320-A451 HydrophobicContact CB-CB 3.7Å; F320-A451 HydrophobicContact CG-CB 4.18Å; L324-A451 HydrophobicContact CD1-CB 3.9Å; L431-A451 HydrophobicContact CD1-CB 4.09Å; K447-A451 WeakPolarHBondContact O-CB 3.44Å; K447-A451 PolarHBondContact O-N 3.41Å; L448-A451 PolarHBondContact O-N 2.93Å; A451-K454 PolarHBondContact O-N 3.12Å; A451-L455 WeakPolarHBondContact O-CB 3.41Å; A451-L455 PolarHBondContact O-N 3.49Å
452T84Confident77.1Confident3 Ų354.9 Ų54.92%0.01827%0.27CS..Hα-helixtrans-59.8-54176.4-50.20000110.2L431 H432 L435 L448 K454 L455 E456L431-T452 WeakPolarHBondContact CB-OG1 3.2Å; H432-T452 WeakPolarHBondContact NE2-CG2 3.42Å; L435-T452 WeakPolarHBondContact CD1-OG1 3.49Å; L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 2.92Å; L448-T452 PolarHBondContact O-OG1 3.26Å; T452-K454 VanDerWaalsContact C-N 3.25Å; T452-K454 PolarHBondContact O-N 3.25Å; T452-L455 PolarHBondContact O-N 3.37Å; T452-E456 HydrophobicContact CG2-CG 4.5Å; T452-E456 WeakPolarHBondContact O-CB 3.2Å; T452-E456 VanDerWaalsContact O-CG 3.32Å; T452-E456 WeakPolarHBondContact O-CG 3.47Å; T452-E456 PolarHBondContact O-N 2.95Å
453S81.5Confident76.1Confident72 Ų7257.8 Ų57.850%0.50328%0.283SS..Hα-helixtrans-60-33.8178.9179.50000112.9E449 F450 Q457E449-S453 WeakPolarHBondContact O-CB 3.38Å; E449-S453 PolarHBondContact O-N 3.06Å; F450-S453 PolarHBondContact O-N 2.92Å; S453-Q457 WeakPolarHBondContact O-CB 3.39Å; S453-Q457 PolarHBondContact O-N 2.91Å
454K78.4Confident75.1Confident74 Ų7455.2 Ų55.232%0.32227%0.266SS..Hα-helixtrans-76.9-36.3177.9-169.154.3174.2162.30112.8L324 F450 A451 T452 Q457 I458L324-K454 HydrophobicContact CD1-CB 4.42Å; L324-K454 HydrophobicContact CD2-CB 3.94Å; L324-K454 HydrophobicContact CD2-CG 3.97Å; F450-K454 WeakPolarHBondContact O-CB 3.39Å; F450-K454 PolarHBondContact O-N 2.95Å; A451-K454 PolarHBondContact O-N 3.12Å; T452-K454 VanDerWaalsContact C-N 3.25Å; T452-K454 PolarHBondContact O-N 3.25Å; K454-Q457 PolarHBondContact O-N 3.42Å; K454-I458 HydrophobicContact CG-CD1 4.42Å; K454-I458 WeakPolarHBondContact O-CD1 3.3Å; K454-I458 VanDerWaalsContact O-CG1 3.27Å; K454-I458 WeakPolarHBondContact O-CG1 3.3Å; K454-I458 PolarHBondContact O-N 2.89Å
455L77.5Confident74Confident1 Ų158.2 Ų58.21%0.00528%0.28CS..Hα-helixtrans-65-43.3170.6-84156.6000111.6L324 L327 I424 I428 L431 A451 T452 Q457 I458 S459L324-L455 HydrophobicContact CD2-CD1 4.42Å; L324-L455 HydrophobicContact CD2-CG 3.89Å; L327-L455 HydrophobicContact CD1-CD2 3.52Å; L327-L455 HydrophobicContact CD1-CG 4.3Å; I424-L455 HydrophobicContact CG1-CD2 4.36Å; I424-L455 HydrophobicContact CG2-CD2 3.96Å; I428-L455 HydrophobicContact CD1-CB 4.27Å; I428-L455 HydrophobicContact CG1-CB 3.72Å; L431-L455 HydrophobicContact CD1-CD1 3.44Å; L431-L455 VanDerWaalsContact CD1-CD1 3.44Å; A451-L455 WeakPolarHBondContact O-CB 3.41Å; A451-L455 PolarHBondContact O-N 3.49Å; T452-L455 PolarHBondContact O-N 3.37Å; L455-Q457 PolarHBondContact O-N 3.42Å; L455-I458 PolarHBondContact O-N 2.88Å; L455-S459 WeakPolarHBondContact O-CB 3.33Å; L455-S459 PolarHBondContact O-N 2.99Å
456E74.9Confident72.6Confident55 Ų5559.4 Ų59.426%0.25729%0.29SS..Hα-helixtrans-59.8-44173.7-72.3169.515800111.4I428 H432 T452 I458 S459 H460I428-E456 HydrophobicContact CD1-CG 4.07Å; I428-E456 HydrophobicContact CG1-CG 4.27Å; I428-E456 HydrophobicContact CG2-CG 4.1Å; H432-E456 IonicContact CD2-OE1 2.69Å; H432-E456 IonicContact CE1-OE1 2.94Å; H432-E456 IonicContact NE2-OE1 3.87Å; H432-E456 PolarHBondContact NE2-OE1 3.29Å; T452-E456 HydrophobicContact CG2-CG 4.5Å; T452-E456 WeakPolarHBondContact O-CB 3.2Å; T452-E456 VanDerWaalsContact O-CG 3.32Å; T452-E456 WeakPolarHBondContact O-CG 3.47Å; T452-E456 PolarHBondContact O-N 2.95Å; E456-I458 PolarHBondContact O-N 2.78Å; E456-S459 WeakPolarHBondContact O-CB 3.36Å; E456-S459 PolarHBondContact O-N 2.91Å; E456-H460 PolarHBondContact O-N 3.42Å
457Q71.5Confident71.4Confident99 Ų9953.1 Ų53.146%0.46327%0.269SS..Hα-helixtrans-61-42.5174.9-173.518046.800112.3S453 K454 L455 H460 I461S453-Q457 WeakPolarHBondContact O-CB 3.39Å; S453-Q457 PolarHBondContact O-N 2.91Å; K454-Q457 PolarHBondContact O-N 3.42Å; L455-Q457 PolarHBondContact O-N 3.42Å; Q457-H460 PolarHBondContact O-N 3.15Å; Q457-I461 HydrophobicContact CG-CD1 3.98Å; Q457-I461 VanDerWaalsContact O-CG1 3.29Å; Q457-I461 WeakPolarHBondContact O-CG1 3.2Å; Q457-I461 PolarHBondContact O-N 2.83Å
458I68.5Low70.2Confident18 Ų1854.9 Ų54.99%0.09228%0.278CS..Hα-helixtrans-67.1-40.4176.8-63.9161.9000110.1L327 I424 K454 L455 E456 H460 I461 M462L327-I458 HydrophobicContact CB-CD1 4.11Å; L327-I458 HydrophobicContact CD1-CD1 3.94Å; I424-I458 HydrophobicContact CD1-CG2 3.77Å; K454-I458 HydrophobicContact CG-CD1 4.42Å; K454-I458 WeakPolarHBondContact O-CD1 3.3Å; K454-I458 VanDerWaalsContact O-CG1 3.27Å; K454-I458 WeakPolarHBondContact O-CG1 3.3Å; K454-I458 PolarHBondContact O-N 2.89Å; L455-I458 PolarHBondContact O-N 2.88Å; E456-I458 PolarHBondContact O-N 2.78Å; I458-H460 VanDerWaalsContact C-N 3.33Å; I458-H460 PolarHBondContact O-N 3.31Å; I458-I461 PolarHBondContact O-N 3.35Å; I458-M462 HydrophobicContact CG2-CG 4.3Å; I458-M462 HydrophobicContact CG2-SD 3.9Å; I458-M462 WeakPolarHBondContact O-CB 3.49Å; I458-M462 VanDerWaalsContact O-CG 3.29Å; I458-M462 WeakPolarHBondContact O-CG 3.41Å; I458-M462 PolarHBondContact O-N 2.87Å
459S67.1Low69Low37 Ų3759.5 Ų59.526%0.25931%0.307SS..Hα-helixtrans-61.9-39.6176.3-1640000112.4L455 E456 H463L455-S459 WeakPolarHBondContact O-CB 3.33Å; L455-S459 PolarHBondContact O-N 2.99Å; E456-S459 WeakPolarHBondContact O-CB 3.36Å; E456-S459 PolarHBondContact O-N 2.91Å; S459-H463 WeakPolarHBondContact O-CB 3.45Å; S459-H463 PolarHBondContact O-N 3.42Å
460H62.9Low67.9Low103 Ų10360.2 Ų60.248%0.47731%0.31SS..Hα-helixtrans-63.2-56.9172.6-95.3-79.8000111E456 Q457 I458 M462 H463 D464E456-H460 PolarHBondContact O-N 3.42Å; Q457-H460 PolarHBondContact O-N 3.15Å; I458-H460 VanDerWaalsContact C-N 3.33Å; I458-H460 PolarHBondContact O-N 3.31Å; H460-M462 PolarHBondContact O-N 3.46Å; H460-M462 VanDerWaalsContact O-N 3.13Å; H460-H463 PolarHBondContact O-N 3.48Å; H460-D464 IonicContact ND1-OD2 2.65Å; H460-D464 VanDerWaalsContact O-CB 3.32Å; H460-D464 WeakPolarHBondContact O-CB 3.33Å; H460-D464 PolarHBondContact O-N 3.48Å; H460-D464 VanDerWaalsContact O-OD2 3.11Å
461I63.6Low67Low72 Ų7255.2 Ų55.237%0.36929%0.289SS..Hα-helixtrans-52.9-41.1179.4-67.1164.8000111.6Q457 I458 E465Q457-I461 HydrophobicContact CG-CD1 3.98Å; Q457-I461 VanDerWaalsContact O-CG1 3.29Å; Q457-I461 WeakPolarHBondContact O-CG1 3.2Å; Q457-I461 PolarHBondContact O-N 2.83Å; I458-I461 PolarHBondContact O-N 3.35Å; I461-E465 HydrophobicContact CG2-CG 4.44Å; I461-E465 WeakPolarHBondContact CG2-OE1 3.36Å; I461-E465 VanDerWaalsContact O-CB 3.29Å; I461-E465 WeakPolarHBondContact O-CB 3.38Å; I461-E465 WeakPolarHBondContact O-CG 3.4Å; I461-E465 PolarHBondContact O-N 2.83Å
462M56.3Low66.3Low13 Ų1358.5 Ų58.56%0.06431%0.306CS..Hα-helixtrans-71.5-37177.8-70-175.872.600113.8Q331 V334 C421 I424 I458 H460 V466Q331-M462 HydrophobicContact CG-CE 4.24Å; Q331-M462 HydrophobicContact CG-CG 3.91Å; Q331-M462 HydrophobicContact CG-SD 3.87Å; V334-M462 HydrophobicContact CB-CE 3.99Å; V334-M462 HydrophobicContact CG1-CE 4.18Å; V334-M462 HydrophobicContact CG2-CE 3.79Å; C421-M462 HydrophobicContact CB-CE 3.91Å; C421-M462 VanDerWaalsContact SG-CE 3.54Å; I424-M462 HydrophobicContact CD1-SD 3.64Å; I458-M462 HydrophobicContact CG2-CG 4.3Å; I458-M462 HydrophobicContact CG2-SD 3.9Å; I458-M462 WeakPolarHBondContact O-CB 3.49Å; I458-M462 VanDerWaalsContact O-CG 3.29Å; I458-M462 WeakPolarHBondContact O-CG 3.41Å; I458-M462 PolarHBondContact O-N 2.87Å; H460-M462 PolarHBondContact O-N 3.46Å; H460-M462 VanDerWaalsContact O-N 3.13Å; M462-V466 WeakPolarHBondContact O-CB 3.28Å; M462-V466 WeakPolarHBondContact O-CG2 3.29Å; M462-V466 PolarHBondContact O-N 2.88Å
463H58.9Low65.6Low99 Ų9965.9 Ų65.946%0.45833%0.333SS..Hα-helixtrans-69.7-40.2174.8-171.287.5000111.2S459 H460 S467 R677S459-H463 WeakPolarHBondContact O-CB 3.45Å; S459-H463 PolarHBondContact O-N 3.42Å; H460-H463 PolarHBondContact O-N 3.48Å; H463-S467 VanDerWaalsContact O-CB 3.32Å; H463-S467 WeakPolarHBondContact O-CB 3.33Å; H463-S467 PolarHBondContact O-N 3.09Å; H463-S467 PolarHBondContact O-OG 3.49Å; H463-R677 PolarHBondContact NE2-NH2 3.45Å
464D57.1Low65.2Low56 Ų5666.6 Ų66.630%0.29933%0.327SS..Hα-helixtrans-69.9-50.1-178.5-60.7-28000110.1H460 V466 S467 E468H460-D464 IonicContact ND1-OD2 2.65Å; H460-D464 VanDerWaalsContact O-CB 3.32Å; H460-D464 WeakPolarHBondContact O-CB 3.33Å; H460-D464 PolarHBondContact O-N 3.48Å; H460-D464 VanDerWaalsContact O-OD2 3.11Å; D464-V466 VanDerWaalsContact C-N 3.3Å; D464-V466 PolarHBondContact O-N 2.83Å; D464-S467 PolarHBondContact O-N 3.02Å; D464-S467 PolarHBondContact O-OG 2.83Å; D464-E468 WeakPolarHBondContact O-CG 3.42Å; D464-E468 PolarHBondContact O-N 3.21Å
465E58.6Low65.2Low66 Ų6663.2 Ų63.231%0.30831%0.313SS..Hα-helixtrans-52.7-43.8172.6-85.2-175.7-136.700112.4Q331 R335 I461 T469Q331-E465 PolarHBondContact NE2-OE1 3.34Å; Q331-E465 VanDerWaalsContact NE2-OE1 3.16Å; R335-E465 IonicContact CZ-OE2 2.66Å; R335-E465 IonicContact NE-OE2 3.76Å; R335-E465 IonicContact NH2-OE1 3.53Å; R335-E465 IonicContact NH2-OE2 2.85Å; R335-E465 PolarHBondContact NH2-OE2 2.98Å; I461-E465 HydrophobicContact CG2-CG 4.44Å; I461-E465 WeakPolarHBondContact CG2-OE1 3.36Å; I461-E465 VanDerWaalsContact O-CB 3.29Å; I461-E465 WeakPolarHBondContact O-CB 3.38Å; I461-E465 WeakPolarHBondContact O-CG 3.4Å; I461-E465 PolarHBondContact O-N 2.83Å; E465-T469 WeakPolarHBondContact O-CB 3.49Å; E465-T469 PolarHBondContact O-N 2.68Å; E465-T469 PolarHBondContact O-OG1 2.73Å
466V55.8Low65.1Low56 Ų5666.1 Ų66.134%0.33933%0.328SS..Hα-helixtrans-68.9-39.8178.5168.40000111M462 D464 E470M462-V466 WeakPolarHBondContact O-CB 3.28Å; M462-V466 WeakPolarHBondContact O-CG2 3.29Å; M462-V466 PolarHBondContact O-N 2.88Å; D464-V466 VanDerWaalsContact C-N 3.3Å; D464-V466 PolarHBondContact O-N 2.83Å; V466-E470 WeakPolarHBondContact O-CB 3.45Å; V466-E470 PolarHBondContact O-N 2.71Å; V466-E470 VanDerWaalsContact O-N 3.07Å
467S56.3Low65.2Low49 Ų4966 Ų6634%0.34334%0.337SS..Hα-helixtrans-69.5-39.6178.378.40000112.9H463 D464 E470 N471H463-S467 VanDerWaalsContact O-CB 3.32Å; H463-S467 WeakPolarHBondContact O-CB 3.33Å; H463-S467 PolarHBondContact O-N 3.09Å; H463-S467 PolarHBondContact O-OG 3.49Å; D464-S467 PolarHBondContact O-N 3.02Å; D464-S467 PolarHBondContact O-OG 2.83Å; S467-E470 PolarHBondContact O-N 3.02Å; S467-N471 WeakPolarHBondContact O-CB 3.5Å; S467-N471 PolarHBondContact O-N 3.06Å
468E58.4Low65.7Low107 Ų10761.9 Ų61.950%0.532%0.317SS..Hα-helixtrans-61.8-48173.2-75-177.6-177.100110.8D464 E470 N471 I472D464-E468 WeakPolarHBondContact O-CG 3.42Å; D464-E468 PolarHBondContact O-N 3.21Å; E468-E470 VanDerWaalsContact C-N 3.33Å; E468-E470 PolarHBondContact O-N 3.29Å; E468-N471 PolarHBondContact O-N 2.93Å; E468-I472 WeakPolarHBondContact O-CB 3.26Å; E468-I472 WeakPolarHBondContact O-CD1 3.2Å; E468-I472 VanDerWaalsContact O-CG1 3.25Å; E468-I472 WeakPolarHBondContact O-CG1 3.27Å; E468-I472 PolarHBondContact O-N 3.01Å
469T62Low66.2Low97 Ų9763.5 Ų63.560%0.59533%0.325SS*.Hα-helixtrans-59.8-43.5180-58.60000111.6E465 R473E465-T469 WeakPolarHBondContact O-CB 3.49Å; E465-T469 PolarHBondContact O-N 2.68Å; E465-T469 PolarHBondContact O-OG1 2.73Å; T469-R473 WeakPolarHBondContact O-CB 3.49Å; T469-R473 PolarHBondContact O-N 3.47Å
470E63.1Low66.7Low67 Ų6771.1 Ų71.131%0.31335%0.348SS..Hα-helixtrans-73.3-33.2178.4178.456.1-162.500112.6V466 S467 E468 R473 K474V466-E470 WeakPolarHBondContact O-CB 3.45Å; V466-E470 PolarHBondContact O-N 2.71Å; V466-E470 VanDerWaalsContact O-N 3.07Å; S467-E470 PolarHBondContact O-N 3.02Å; E468-E470 VanDerWaalsContact C-N 3.33Å; E468-E470 PolarHBondContact O-N 3.29Å; E470-R473 WeakPolarHBondContact O-CB 3.43Å; E470-R473 PolarHBondContact O-N 2.92Å; E470-K474 WeakPolarHBondContact O-CG 3.41Å; E470-K474 PolarHBondContact O-N 3.34Å; E470-K474 WeakPolarHBondContact OE1-CE 3.42Å; E470-K474 IonicContact OE1-NZ 3.82Å; E470-K474 PolarHBondContact OE1-NZ 2.63Å
471N67.2Low67.4Low15 Ų1570.6 Ų70.68%0.0835%0.347CS..Hα-helixtrans-66.5-48173.2-178.852.5000111.7S467 E468 R473 K474 N475 Q494 V495 F496S467-N471 WeakPolarHBondContact O-CB 3.5Å; S467-N471 PolarHBondContact O-N 3.06Å; E468-N471 PolarHBondContact O-N 2.93Å; N471-R473 PolarHBondContact O-N 2.84Å; N471-K474 WeakPolarHBondContact O-CB 3.49Å; N471-K474 PolarHBondContact O-N 2.87Å; N471-K474 VanDerWaalsContact O-N 3.07Å; N471-N475 PolarHBondContact O-N 2.71Å; N471-N475 PolarHBondContact O-OD1 2.7Å; N471-Q494 PolarHBondContact ND2-O 2.65Å; N471-V495 WeakPolarHBondContact OD1-CA 3.33Å; N471-F496 PolarHBondContact OD1-N 3.35Å
472I69.2Low68.2Low69 Ų6967.7 Ų67.735%0.35433%0.332SS..Hα-helixtrans-57.2-40.9173.8-69.3163.9000110.5E468 K474 N475 L476 V492E468-I472 WeakPolarHBondContact O-CB 3.26Å; E468-I472 WeakPolarHBondContact O-CD1 3.2Å; E468-I472 VanDerWaalsContact O-CG1 3.25Å; E468-I472 WeakPolarHBondContact O-CG1 3.27Å; E468-I472 PolarHBondContact O-N 3.01Å; I472-K474 PolarHBondContact O-N 2.86Å; I472-N475 PolarHBondContact O-N 2.85Å; I472-L476 HydrophobicContact CG2-CD1 3.87Å; I472-L476 WeakPolarHBondContact O-CB 3.49Å; I472-L476 WeakPolarHBondContact O-CG 3.32Å; I472-L476 PolarHBondContact O-N 2.81Å; I472-V492 HydrophobicContact CD1-CG1 4.43Å
473R69.7Low68.8Low159 Ų15969.4 Ų69.460%0.634%0.343SS*.Hα-helixtrans-62-40.2175.9-168.9179.2-171.1133.9-0.6112.5T469 E470 N471 A477T469-R473 WeakPolarHBondContact O-CB 3.49Å; T469-R473 PolarHBondContact O-N 3.47Å; E470-R473 WeakPolarHBondContact O-CB 3.43Å; E470-R473 PolarHBondContact O-N 2.92Å; N471-R473 PolarHBondContact O-N 2.84Å; R473-A477 PolarHBondContact O-N 3.29Å; R473-A477 VanDerWaalsContact O-N 3.13Å
474K72.9Confident69.2Low86 Ų8670.4 Ų70.437%0.37435%0.352SS..Hα-helixtrans-69.1-45.2175.4-76.2170.6165.7114.70112.2E470 N471 I472 L476 A477 I478E470-K474 WeakPolarHBondContact O-CG 3.41Å; E470-K474 PolarHBondContact O-N 3.34Å; E470-K474 WeakPolarHBondContact OE1-CE 3.42Å; E470-K474 IonicContact OE1-NZ 3.82Å; E470-K474 PolarHBondContact OE1-NZ 2.63Å; N471-K474 WeakPolarHBondContact O-CB 3.49Å; N471-K474 PolarHBondContact O-N 2.87Å; N471-K474 VanDerWaalsContact O-N 3.07Å; I472-K474 PolarHBondContact O-N 2.86Å; K474-L476 PolarHBondContact O-N 2.79Å; K474-A477 WeakPolarHBondContact O-CB 3.28Å; K474-A477 PolarHBondContact O-N 2.87Å; K474-I478 WeakPolarHBondContact O-CG1 3.49Å; K474-I478 PolarHBondContact O-N 2.64Å
475N78.3Confident69.5Low4 Ų468.7 Ų68.72%0.02135%0.347CS..Hα-helixtrans-59.7-45.2176.8-69.2-0.1000111.5N471 I472 A477 I478 E479 Q494 F537N471-N475 PolarHBondContact O-N 2.71Å; N471-N475 PolarHBondContact O-OD1 2.7Å; I472-N475 PolarHBondContact O-N 2.85Å; N475-A477 VanDerWaalsContact C-N 3.29Å; N475-A477 PolarHBondContact O-N 2.77Å; N475-I478 PolarHBondContact O-N 2.67Å; N475-E479 WeakPolarHBondContact O-CB 3.36Å; N475-E479 PolarHBondContact O-N 2.68Å; N475-Q494 PolarHBondContact ND2-O 3.49Å; N475-F537 WeakPolarHBondContact OD1-CE1 3.32Å
476L74.9Confident70.4Confident62 Ų6265.7 Ų65.733%0.32533%0.333SS..Hα-helixtrans-64.3-28.2174.1-77.2166.6000113.7I472 K474 R480 L490I472-L476 HydrophobicContact CG2-CD1 3.87Å; I472-L476 WeakPolarHBondContact O-CB 3.49Å; I472-L476 WeakPolarHBondContact O-CG 3.32Å; I472-L476 PolarHBondContact O-N 2.81Å; K474-L476 PolarHBondContact O-N 2.79Å; L476-R480 VanDerWaalsContact O-CD 3.29Å; L476-R480 WeakPolarHBondContact O-CD 3.13Å; L476-R480 WeakPolarHBondContact O-CG 3.27Å; L476-R480 PolarHBondContact O-N 2.8Å; L476-L490 HydrophobicContact CD2-CD2 4.48Å
477A77.3Confident71.1Confident53 Ų5368.6 Ų68.644%0.43835%0.347SS..Hα-helixtrans-71.7-41.5173.900000111.5R473 K474 N475 M481R473-A477 PolarHBondContact O-N 3.29Å; R473-A477 VanDerWaalsContact O-N 3.13Å; K474-A477 WeakPolarHBondContact O-CB 3.28Å; K474-A477 PolarHBondContact O-N 2.87Å; N475-A477 VanDerWaalsContact C-N 3.29Å; N475-A477 PolarHBondContact O-N 2.77Å; A477-M481 WeakPolarHBondContact O-CG 3.41Å
478I80.9Confident71.9Confident11 Ų1168.3 Ų68.36%0.05634%0.341CS..Hα-helixtrans-71.6-39.9178.3-61.6166.8000111.1K474 N475 R480 M481 I482 L489 F496 F535 F537K474-I478 WeakPolarHBondContact O-CG1 3.49Å; K474-I478 PolarHBondContact O-N 2.64Å; N475-I478 PolarHBondContact O-N 2.67Å; I478-R480 VanDerWaalsContact C-N 3.31Å; I478-R480 PolarHBondContact O-N 3Å; I478-M481 WeakPolarHBondContact O-CB 3.26Å; I478-M481 PolarHBondContact O-N 2.93Å; I478-I482 HydrophobicContact CG2-CD1 4.28Å; I478-I482 PolarHBondContact O-N 2.97Å; I478-L489 HydrophobicContact CB-CD1 4.31Å; I478-L489 HydrophobicContact CG2-CD1 3.97Å; I478-F496 HydrophobicContact CD1-CD2 3.46Å; I478-F496 VanDerWaalsContact CD1-CD2 3.46Å; I478-F496 HydrophobicContact CD1-CE2 3.7Å; I478-F496 HydrophobicContact CD1-CG 4.02Å; I478-F496 HydrophobicContact CD1-CZ 4.42Å; I478-F535 HydrophobicContact CD1-CD1 4.13Å; I478-F535 HydrophobicContact CG1-CD1 4.4Å; I478-F535 HydrophobicContact CG1-CE1 4.34Å; I478-F535 HydrophobicContact CG2-CD1 3.91Å; I478-F535 HydrophobicContact CG2-CE1 3.92Å; I478-F535 HydrophobicContact CG2-CG 4.23Å; I478-F535 HydrophobicContact CG2-CZ 4.24Å; I478-F537 HydrophobicContact CD1-CE1 4.16Å; I478-F537 HydrophobicContact CD1-CZ 3.82Å; I478-F537 HydrophobicContact CG2-CZ 4.26Å
479E80.4Confident72.4Confident53 Ų5363.4 Ų63.425%0.24832%0.319CS..Hα-helixtrans-54.1-46.6174.7-179.1-91.2157.400111.4N475 M481 I482 L489N475-E479 WeakPolarHBondContact O-CB 3.36Å; N475-E479 PolarHBondContact O-N 2.68Å; E479-M481 PolarHBondContact O-N 2.8Å; E479-I482 PolarHBondContact O-N 3.29Å; E479-I482 VanDerWaalsContact O-N 3.1Å; E479-L489 HydrophobicContact CB-CB 4.29Å; E479-L489 HydrophobicContact CB-CD1 4.03Å
480R77.1Confident72.6Confident197 Ų19764.2 Ų64.274%0.74332%0.318SS*.THydrogen-bonded Turntrans-66-15.5175.7-67.9169.3-173.5-168.30.7115.1L476 I478L476-R480 VanDerWaalsContact O-CD 3.29Å; L476-R480 WeakPolarHBondContact O-CD 3.13Å; L476-R480 WeakPolarHBondContact O-CG 3.27Å; L476-R480 PolarHBondContact O-N 2.8Å; I478-R480 VanDerWaalsContact C-N 3.31Å; I478-R480 PolarHBondContact O-N 3Å
481M77Confident72.8Confident92 Ų9263.7 Ų63.745%0.45332%0.318SS..THydrogen-bonded Turntrans-85.5-16.9174.8-67.217362.800112.9A477 I478 E479 L552A477-M481 WeakPolarHBondContact O-CG 3.41Å; I478-M481 WeakPolarHBondContact O-CB 3.26Å; I478-M481 PolarHBondContact O-N 2.93Å; E479-M481 PolarHBondContact O-N 2.8Å; M481-L552 HydrophobicContact CB-CD1 4.5Å; M481-L552 HydrophobicContact CE-CD1 4.16Å; M481-L552 PolarHBondContact O-N 3.1Å
482I80.5Confident72.3Confident10 Ų1067.2 Ų67.25%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-98.9117.8-175.3-62.5174.2000110.3I478 E479 G485 C486 L489 L542 T544 L554I478-I482 HydrophobicContact CG2-CD1 4.28Å; I478-I482 PolarHBondContact O-N 2.97Å; E479-I482 PolarHBondContact O-N 3.29Å; E479-I482 VanDerWaalsContact O-N 3.1Å; I482-G485 WeakPolarHBondContact CG2-O 3.26Å; I482-G485 PolarHBondContact O-N 2.75Å; I482-C486 HydrophobicContact CD1-CB 4.28Å; I482-L489 HydrophobicContact CD1-CD1 4.24Å; I482-L542 HydrophobicContact CD1-CD1 4.25Å; I482-T544 HydrophobicContact CD1-CG2 4.28Å; I482-T544 HydrophobicContact CG1-CG2 4.38Å; I482-L554 HydrophobicContact CG2-CD1 4.21Å; I482-L554 HydrophobicContact CG2-CG 3.95Å
483V69.4Low72Confident49 Ų4969.4 Ų69.430%0.29735%0.352SS..EExtended strand (participates in β ladder)trans-65.3137.8169.5-179.10000109.4G485 K551 L552 R553V483-G485 PolarHBondContact O-N 3.43Å; V483-K551 HydrophobicContact CG2-CB 3.56Å; V483-K551 HydrophobicContact CG2-CD 3.86Å; V483-K551 HydrophobicContact CG2-CG 4.35Å; V483-L552 WeakPolarHBondContact CB-O 3.32Å; V483-L552 WeakPolarHBondContact CG2-O 3.3Å; V483-L552 PolarHBondContact N-O 3.11Å; V483-R553 HydrophobicContact CB-CB 4.47Å; V483-R553 HydrophobicContact CB-CG 4.44Å
484D66.8Low72.2Confident121 Ų12161.9 Ų61.965%0.64732%0.324SS*.THydrogen-bonded Turntrans71.7-0-167.6-42.1-39.5000114.9R553D484-R553 IonicContact OD1-NH2 3.09Å; D484-R553 IonicContact OD2-CZ 2.77Å; D484-R553 IonicContact OD2-NE 2.77Å; D484-R553 PolarHBondContact OD2-NE 2.92Å; D484-R553 IonicContact OD2-NH2 3.74Å; D484-R553 PolarHBondContact OD2-NH2 2.73Å
485G63.3Low72.5Confident19 Ų1961.2 Ų61.220%0.19633%0.327CS..  trans71.3-176179.100000114I482 V483I482-G485 WeakPolarHBondContact CG2-O 3.26Å; I482-G485 PolarHBondContact O-N 2.75Å; V483-G485 PolarHBondContact O-N 3.43Å
486C77.2Confident72.7Confident4 Ų463.3 Ų63.33%0.02734%0.336CS..  trans-152.1101.8172.2-1680000111.4I482 L488 L489 L554I482-C486 HydrophobicContact CD1-CB 4.28Å; C486-L488 PolarHBondContact O-N 2.87Å; C486-L488 VanDerWaalsContact O-N 3.08Å; C486-L489 HydrophobicContact CB-CD1 3.96Å; C486-L489 HydrophobicContact CB-CG 4Å; C486-L489 WeakPolarHBondContact O-CB 3.34Å; C486-L489 PolarHBondContact O-N 3.05Å; C486-L554 HydrophobicContact CB-CD1 4.27Å
487D71.9Confident73.1Confident117 Ų11762.9 Ų62.963%0.62634%0.335SS*.G310 helixtrans-56.4-28.5-176.3-26.6-91.6000113.2L489 L490 K560D487-L489 PolarHBondContact O-N 3.12Å; D487-L490 WeakPolarHBondContact O-CB 3.43Å; D487-L490 PolarHBondContact O-N 3.15Å; D487-L490 VanDerWaalsContact O-N 3.16Å; D487-K560 IonicContact OD2-NZ 3.48Å; D487-K560 PolarHBondContact OD2-NZ 2.92Å
488L71.7Confident73.7Confident42 Ų4264 Ų6422%0.2233%0.328CS..G310 helixtrans-60.9-32.3176.2-65179.1000112.1C486 L490 D491 Q494 L542 K560C486-L488 PolarHBondContact O-N 2.87Å; C486-L488 VanDerWaalsContact O-N 3.08Å; L488-L490 PolarHBondContact O-N 3.33Å; L488-D491 WeakPolarHBondContact O-CB 3.47Å; L488-D491 PolarHBondContact O-N 3.48Å; L488-Q494 PolarHBondContact O-NE2 3.09Å; L488-Q494 PolarHBondContact O-OE1 3.45Å; L488-L542 HydrophobicContact CD1-CD2 4.29Å; L488-K560 HydrophobicContact CD1-CB 4.02Å; L488-K560 HydrophobicContact CD1-CD 3.79Å; L488-K560 HydrophobicContact CD1-CG 3.98Å; L488-K560 HydrophobicContact CG-CD 4.36Å
489L70.1Confident74.1Confident5 Ų568.5 Ų68.53%0.02635%0.349CS..G310 helixtrans-77-3180-57.1-178.3000113.4I478 E479 I482 C486 D487 F537 L542I478-L489 HydrophobicContact CB-CD1 4.31Å; I478-L489 HydrophobicContact CG2-CD1 3.97Å; E479-L489 HydrophobicContact CB-CB 4.29Å; E479-L489 HydrophobicContact CB-CD1 4.03Å; I482-L489 HydrophobicContact CD1-CD1 4.24Å; C486-L489 HydrophobicContact CB-CD1 3.96Å; C486-L489 HydrophobicContact CB-CG 4Å; C486-L489 WeakPolarHBondContact O-CB 3.34Å; C486-L489 PolarHBondContact O-N 3.05Å; D487-L489 PolarHBondContact O-N 3.12Å; L489-F537 HydrophobicContact CD1-CZ 4.48Å; L489-F537 HydrophobicContact CD2-CD1 4.06Å; L489-F537 HydrophobicContact CD2-CD2 4.14Å; L489-F537 HydrophobicContact CD2-CE1 3.54Å; L489-F537 HydrophobicContact CD2-CE2 3.63Å; L489-F537 HydrophobicContact CD2-CG 4.35Å; L489-F537 HydrophobicContact CD2-CZ 3.3Å; L489-L542 HydrophobicContact CD1-CD1 4.16Å; L489-L542 HydrophobicContact CD2-CD1 3.92Å; L489-L542 HydrophobicContact CG-CD1 4.18Å
490L66.3Low74.4Confident113 Ų11366.7 Ų66.759%0.59234%0.344SS*.G310 helixtrans-93.7-5.5172.5-54.9177.5000112.4L476 D487 L488L476-L490 HydrophobicContact CD2-CD2 4.48Å; D487-L490 WeakPolarHBondContact O-CB 3.43Å; D487-L490 PolarHBondContact O-N 3.15Å; D487-L490 VanDerWaalsContact O-N 3.16Å; L488-L490 PolarHBondContact O-N 3.33Å
491D66.3Low74.8Confident57 Ų5760.7 Ų60.731%0.30533%0.33SS..  trans-74.5121.4170.9-179.78.9000110L488 N493 Q494L488-D491 WeakPolarHBondContact O-CB 3.47Å; L488-D491 PolarHBondContact O-N 3.48Å; D491-N493 PolarHBondContact O-N 3.09Å; D491-N493 WeakPolarHBondContact OD1-CB 3.18Å; D491-N493 PolarHBondContact OD1-N 3.49Å; D491-N493 PolarHBondContact OD1-ND2 3.03Å; D491-Q494 HydrophobicContact CB-CG 4.2Å; D491-Q494 PolarHBondContact O-N 2.72Å
492V56.4Low75.4Confident88 Ų8856.4 Ų56.453%0.53331%0.309SS..THydrogen-bonded Turntrans-61.1-25.8-179.2-1680000111.5I472 Q494I472-V492 HydrophobicContact CD1-CG1 4.43Å; V492-Q494 VanDerWaalsContact C-N 3.31Å; V492-Q494 PolarHBondContact O-N 2.73Å
493N64.7Low75.7Confident116 Ų11658.6 Ų58.662%0.6232%0.32SS*.THydrogen-bonded Turntrans-81.3-3.1-176.7-53.7-79.1000114.1D491 T538D491-N493 PolarHBondContact O-N 3.09Å; D491-N493 WeakPolarHBondContact OD1-CB 3.18Å; D491-N493 PolarHBondContact OD1-N 3.49Å; D491-N493 PolarHBondContact OD1-ND2 3.03Å; N493-T538 PolarHBondContact O-OG1 2.69Å
494Q72.5Confident76.5Confident1 Ų156.9 Ų56.91%0.00531%0.309CS..  trans-89.8115.6176.9-67.7-167.826.700111.3N471 N475 L488 D491 V492 F537 H540N471-Q494 PolarHBondContact ND2-O 2.65Å; N475-Q494 PolarHBondContact ND2-O 3.49Å; L488-Q494 PolarHBondContact O-NE2 3.09Å; L488-Q494 PolarHBondContact O-OE1 3.45Å; D491-Q494 HydrophobicContact CB-CG 4.2Å; D491-Q494 PolarHBondContact O-N 2.72Å; V492-Q494 VanDerWaalsContact C-N 3.31Å; V492-Q494 PolarHBondContact O-N 2.73Å; Q494-F537 HydrophobicContact CB-CB 4.45Å; Q494-F537 HydrophobicContact CB-CD1 4.5Å; Q494-H540 PolarHBondContact NE2-CE1 3.26Å; Q494-H540 PolarHBondContact NE2-ND1 3.03Å
495V79Confident77.2Confident71 Ų7151.7 Ų51.743%0.4328%0.281SS..  trans-97.8130.7170.8-172.80000109.5N471 F537 T538N471-V495 WeakPolarHBondContact OD1-CA 3.33Å; V495-F537 CarbonylContact O-C 3.58Å; V495-F537 VanDerWaalsContact O-CA 3.23Å; V495-F537 WeakPolarHBondContact O-CA 3.37Å; V495-T538 HydrophobicContact CB-CG2 3.78Å; V495-T538 HydrophobicContact CG2-CG2 4.35Å; V495-T538 PolarHBondContact N-OG1 3.06Å; V495-T538 VanDerWaalsContact N-OG1 3.12Å; V495-T538 PolarHBondContact O-N 2.87Å
496F82.9Confident77.6Confident48 Ų4853.4 Ų53.421%0.21129%0.285CS..EExtended strand (participates in β ladder)trans-71.3127174171.9-103.2000111.3N471 I478 R498 Q499 F535 F537N471-F496 PolarHBondContact OD1-N 3.35Å; I478-F496 HydrophobicContact CD1-CD2 3.46Å; I478-F496 VanDerWaalsContact CD1-CD2 3.46Å; I478-F496 HydrophobicContact CD1-CE2 3.7Å; I478-F496 HydrophobicContact CD1-CG 4.02Å; I478-F496 HydrophobicContact CD1-CZ 4.42Å; F496-R498 VanDerWaalsContact CE2-O 3.29Å; F496-R498 WeakPolarHBondContact CE2-O 3.28Å; F496-R498 VanDerWaalsContact CZ-C 3.48Å; F496-Q499 HydrophobicContact CE2-CB 4Å; F496-Q499 HydrophobicContact CZ-CB 3.77Å; F496-Q499 HydrophobicContact CZ-CG 3.94Å; F496-F535 HydrophobicContact CE2-CD1 4.22Å; F496-F537 HydrophobicContact CB-CD1 3.98Å; F496-F537 HydrophobicContact CB-CE1 3.79Å; F496-F537 HydrophobicContact CD2-CD1 4.32Å; F496-F537 AromaticContact CD2-CE1 3.78Å; F496-F537 HydrophobicContact CD2-CE1 3.78Å; F496-F537 AromaticContact CD2-CZ 3.94Å; F496-F537 HydrophobicContact CD2-CZ 3.94Å; F496-F537 HydrophobicContact CG-CE1 4.27Å
497V84.4Confident76.6Confident53 Ų5357.2 Ų57.232%0.32131%0.311SS..EExtended strand (participates in β ladder)trans-108.1-59.7-175.2-176.30000111.6L536 T538 D914V497-L536 HydrophobicContact CB-CB 4.43Å; V497-L536 HydrophobicContact CB-CD2 4.1Å; V497-L536 HydrophobicContact CB-CG 4.01Å; V497-L536 HydrophobicContact CG1-CD2 3.92Å; V497-L536 HydrophobicContact CG1-CG 4.39Å; V497-L536 PolarHBondContact N-O 3.49Å; V497-T538 HydrophobicContact CG2-CG2 4.25Å; V497-D914 HydrophobicContact CG1-CB 4.39Å
498R88.3Confident75.1Confident76 Ų7656.7 Ų56.729%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-142.6149.6-176.1-178174.5-64.1-104.8-0.9111.9F496 F535 L536 W911 D914F496-R498 VanDerWaalsContact CE2-O 3.29Å; F496-R498 WeakPolarHBondContact CE2-O 3.28Å; F496-R498 VanDerWaalsContact CZ-C 3.48Å; R498-F535 CarbonylContact O-C 3.32Å; R498-F535 WeakPolarHBondContact O-CA 3.35Å; R498-L536 HydrophobicContact CB-CB 4.26Å; R498-L536 HydrophobicContact CB-CD2 4.5Å; R498-L536 PolarHBondContact N-O 3.04Å; R498-L536 PolarHBondContact O-N 3.46Å; R498-W911 HydrophobicContact CG-CH2 4.09Å; R498-W911 HydrophobicContact CG-CZ2 4.1Å; R498-W911 HydrophobicContact CG-CZ3 4.38Å; R498-D914 IonicContact CZ-OD2 3.84Å; R498-D914 IonicContact NE-OD2 3.66Å; R498-D914 PolarHBondContact NE-OD2 2.85Å; R498-D914 IonicContact NH2-OD1 3.81Å; R498-D914 IonicContact NH2-OD2 2.85Å; R498-D914 PolarHBondContact NH2-OD2 3.36Å
499Q89.1Confident73.5Confident107 Ų10764.3 Ų64.350%0.534%0.34SS..EExtended strand (participates in β ladder)trans-126.4152.6161.165.9-179.4-11.700110.1F496 V534 F535F496-Q499 HydrophobicContact CE2-CB 4Å; F496-Q499 HydrophobicContact CZ-CB 3.77Å; F496-Q499 HydrophobicContact CZ-CG 3.94Å; Q499-V534 WeakPolarHBondContact CA-O 3.21Å; Q499-F535 HydrophobicContact CB-CD1 3.7Å; Q499-F535 HydrophobicContact CB-CE1 4.02Å
500G86.9Confident71.5Confident14 Ų1471.2 Ų71.214%0.14438%0.376CS..EExtended strand (participates in β ladder)trans-179.2179.9173.400000112.5Q533 V534G500-Q533 VanDerWaalsContact O-CD 3.28Å; G500-Q533 PolarHBondContact O-NE2 3.35Å; G500-Q533 PolarHBondContact O-OE1 3.46Å; G500-V534 PolarHBondContact N-O 3.05Å; G500-V534 PolarHBondContact O-N 3.22Å
501T87.2Confident69.8Low71 Ų7176.8 Ų76.844%0.43639%0.389SS..EExtended strand (participates in β ladder)trans-107.8126.5-178.2-52.40000109.3V531 R532 Q533T501-V531 HydrophobicContact CG2-CG1 3.34Å; T501-R532 CarbonylContact C-O 3.29Å; T501-R532 WeakPolarHBondContact CA-O 3.35Å; T501-R532 WeakPolarHBondContact CG2-O 3.46Å; T501-Q533 PolarHBondContact OG1-OE1 3.1Å
502L89.3Confident68Low2 Ų279.2 Ų79.21%0.0141%0.41CS..EExtended strand (participates in β ladder)trans-130.8148-179.3-67.8177.2000109.9R532 V534 F884 L900 A902 W911L502-R532 PolarHBondContact N-O 3.48Å; L502-R532 PolarHBondContact O-N 3.49Å; L502-V534 HydrophobicContact CB-CG2 4.1Å; L502-V534 HydrophobicContact CD1-CB 4.3Å; L502-V534 HydrophobicContact CD1-CG1 4.44Å; L502-V534 HydrophobicContact CD1-CG2 4.14Å; L502-V534 HydrophobicContact CG-CG2 4.39Å; L502-F884 HydrophobicContact CD1-CZ 3.94Å; L502-F884 HydrophobicContact CD2-CE1 4.46Å; L502-L900 HydrophobicContact CD1-CB 4.46Å; L502-L900 HydrophobicContact CD1-CD1 4.08Å; L502-A902 HydrophobicContact CD2-CB 4.06Å; L502-W911 HydrophobicContact CD1-CD2 4.01Å; L502-W911 HydrophobicContact CD1-CE3 4.37Å; L502-W911 HydrophobicContact CD1-CG 4.4Å; L502-W911 HydrophobicContact CD1-CH2 4.48Å; L502-W911 HydrophobicContact CD1-CZ2 4.12Å; L502-W911 HydrophobicContact CD2-CG 4.49Å; L502-W911 HydrophobicContact CG-CZ2 4.31Å
503I87Confident66.7Low56 Ų5679.7 Ų79.729%0.28742%0.418SS..EExtended strand (participates in β ladder)trans-90.2121174.8-56.7177.2000108.5E529 V531 L900 V901I503-E529 HydrophobicContact CG2-CB 3.7Å; I503-E529 HydrophobicContact CG2-CG 3.91Å; I503-V531 HydrophobicContact CG1-CG2 4.49Å; I503-L900 CarbonylContact O-C 3.43Å; I503-L900 WeakPolarHBondContact O-CA 3.34Å; I503-V901 HydrophobicContact CB-CB 4.24Å; I503-V901 PolarHBondContact N-O 3.3Å; I503-V901 PolarHBondContact O-N 2.68Å
504Q86.1Confident65Low13 Ų1385.5 Ų85.56%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-89.9122.4171.9-175.9179.344.100109.7I506 A530 R532 C558 W899 L900Q504-I506 HydrophobicContact CG-CG1 4.49Å; Q504-I506 PolarHBondContact O-N 3.32Å; Q504-A530 PolarHBondContact N-O 3.44Å; Q504-A530 PolarHBondContact O-N 3.13Å; Q504-R532 HydrophobicContact CB-CG 3.68Å; Q504-R532 VanDerWaalsContact OE1-CZ 3.24Å; Q504-C558 PolarHBondContact NE2-SG 3.01Å; Q504-C558 VanDerWaalsContact NE2-SG 3.44Å; Q504-W899 WeakPolarHBondContact CA-O 3.41Å; Q504-L900 HydrophobicContact CB-CD2 4.13Å; Q504-L900 HydrophobicContact CG-CD2 4.38Å
505V81.3Confident63.1Low12 Ų1291.5 Ų91.57%0.07347%0.473CS..EExtended strand (participates in β ladder)trans-84.4112.1173.8-175.90000108.6C507 E529 Y879 W899 V901V505-C507 PolarHBondContact O-N 3.45Å; V505-E529 HydrophobicContact CG2-CG 4.46Å; V505-Y879 HydrophobicContact CG2-CE2 4.05Å; V505-W899 HydrophobicContact CB-CB 4.01Å; V505-W899 PolarHBondContact N-O 3.28Å; V505-V901 HydrophobicContact CG2-CG2 3.84Å
506I71.9Confident60.8Low55 Ų5599.3 Ų99.328%0.28250%0.495SS..EExtended strand (participates in β ladder)trans-90.1105.4-176.3-53.4174.9000110.3Q504 D508 K528 A530Q504-I506 HydrophobicContact CG-CG1 4.49Å; Q504-I506 PolarHBondContact O-N 3.32Å; I506-D508 PolarHBondContact O-N 2.93Å; I506-K528 VanDerWaalsContact CB-O 3.27Å; I506-K528 WeakPolarHBondContact CB-O 3.43Å; I506-K528 WeakPolarHBondContact CG1-O 3.27Å; I506-K528 PolarHBondContact N-O 3.05Å; I506-K528 VanDerWaalsContact N-O 3.11Å; I506-A530 HydrophobicContact CD1-CB 3.79Å; I506-A530 HydrophobicContact CG1-CB 4.41Å
507C55.7Low58.3Low84 Ų84105.5 Ų105.557%0.56853%0.529SS*.  trans-90.495171.3-75.10000111.2V505 K509V505-C507 PolarHBondContact O-N 3.45Å; C507-K509 PolarHBondContact O-N 3.33Å
508D40.5Very low55.7Low106 Ų106106.3 Ų106.357%0.56755%0.548SS*.  trans-67.581.5178.5-79.5-23.3000113.3I506 R525I506-D508 PolarHBondContact O-N 2.93Å; D508-R525 PolarHBondContact O-NH2 3.17Å
509K37.3Very low52.9Low203 Ų203109.2 Ų109.288%0.88357%0.569SS**  trans-75128.6159.8-75.1-166.4173.8-171.90109.7C507C507-K509 PolarHBondContact O-N 3.33Å
510L29.2Very low49.9Very low150 Ų150113.9 Ų113.979%0.78559%0.588SS**  trans-59.8148.3-171.5-97.665000113.6
511R29.3Very low47.1Very low230 Ų230117 Ų11787%0.86862%0.62SS**  trans-131112.4161-119.7-176.9-176.1-168.92.2112.8
512S30Very low44.3Very low107 Ų107119.3 Ų119.375%0.74864%0.639SS**  trans84.5118.2150.1-1380000121.5
513S29Very low41.5Very low98 Ų98124.6 Ų124.669%0.68568%0.677SS**  75.7109129.8-61.40000123.2
514R27.7Very low38.7Very low239 Ų239132.3 Ų132.390%0.90270%0.704SS**  trans58.4105.5139.7-63.7-179.1174.7174.5-1.5119.8
515S32.4Very low36.2Very low126 Ų126140.4 Ų140.488%0.88173%0.734SS**  178.5169.9100.546.10000111.3
516R31.5Very low34Very low235 Ų235147.4 Ų147.489%0.88777%0.766SS**  trans-105.5131.9-175.1-69.2176.3171.7170.4-4.6111.8
517L30.2Very low32.8Very low179 Ų179152 Ų15294%0.93778%0.78SS**  159.8153.1118.7-103.4107.3000111.6
518G29.9Very low33Very low70 Ų70154.2 Ų154.272%0.72278%0.779SS**  trans101.572.1147.500000120.4
519N30.5Very low34.5Very low137 Ų137154 Ų15473%0.73378%0.775SS**  trans33.2145.7143.2-93.246.7000125.2
520F25.8Very low36.6Very low204 Ų204145.2 Ų145.290%0.89574%0.74SS**  trans73.1141.8160.2-68.3-66.3000119.6
521G27.4Very low39.1Very low79 Ų79142.7 Ų142.781%0.81473%0.731SS**  trans134.7109.5165.100000114.2
522S28.6Very low41.9Very low120 Ų120133.3 Ų133.384%0.83970%0.695SS**  trans-79.9138.2170.5178.70000111.2
523S31Very low44.6Very low114 Ų114130.2 Ų130.280%0.79767%0.669SS**  trans-158.2148.9151.8-165.20000111.4
524Y27.4Very low47.6Very low217 Ų217125.6 Ų125.685%0.85164%0.637SS**  trans-69.4148174.7-79.9-112.5000110.9
525R33.9Very low50.6Low183 Ų183114.2 Ų114.269%0.69159%0.594SS**  trans-108.281.8-179.6-163.9173.5-175.8-163.7-6.4110.8D508D508-R525 PolarHBondContact O-NH2 3.17Å
526E35.6Very low53.4Low160 Ų160108.2 Ų108.275%0.74855%0.552SS**  trans-53.3135.7176.1-63.4177.2128.800112K528E526-K528 PolarHBondContact O-N 2.96Å
527R47.2Very low56.1Low152 Ų15297 Ų9757%0.57451%0.51SS*.  trans-70.7122.6161.9-71178.9176.9177.8-4.8107.9E529 T877R527-E529 PolarHBondContact O-N 2.9Å; R527-T877 PolarHBondContact NH1-OG1 3.39Å
528K59.3Low58.6Low129 Ų12989.7 Ų89.756%0.56147%0.472SS*.EExtended strand (participates in β ladder)trans-89.397.5178.2-73.1-175.1177177.70110.6I506 E526I506-K528 VanDerWaalsContact CB-O 3.27Å; I506-K528 WeakPolarHBondContact CB-O 3.43Å; I506-K528 WeakPolarHBondContact CG1-O 3.27Å; I506-K528 PolarHBondContact N-O 3.05Å; I506-K528 VanDerWaalsContact N-O 3.11Å; E526-K528 PolarHBondContact O-N 2.96Å
529E72.5Confident61.2Low102 Ų10288.4 Ų88.448%0.47745%0.449SS..EExtended strand (participates in β ladder)trans-66.4136.9161.1-75.4172.8-147.700110.1I503 V505 R527 Y879I503-E529 HydrophobicContact CG2-CB 3.7Å; I503-E529 HydrophobicContact CG2-CG 3.91Å; V505-E529 HydrophobicContact CG2-CG 4.46Å; R527-E529 PolarHBondContact O-N 2.9Å; E529-Y879 VanDerWaalsContact OE1-CE1 3.28Å; E529-Y879 WeakPolarHBondContact OE1-CE1 3.49Å; E529-Y879 PolarHBondContact OE1-OH 3.37Å
530A80Confident63.9Low18 Ų1883.5 Ų83.515%0.14942%0.421CS..EExtended strand (participates in β ladder)trans-136.2116.517800000110.9Q504 I506 R532Q504-A530 PolarHBondContact N-O 3.44Å; Q504-A530 PolarHBondContact O-N 3.13Å; I506-A530 HydrophobicContact CD1-CB 3.79Å; I506-A530 HydrophobicContact CG1-CB 4.41Å; A530-R532 WeakPolarHBondContact O-CG 3.43Å; A530-R532 PolarHBondContact O-N 3.01Å
531V81.9Confident67Low98 Ų9873.8 Ų73.859%0.59438%0.379SS*.EExtended strand (participates in β ladder)trans-62.1125.5173.8-174.60000109.7T501 I503T501-V531 HydrophobicContact CG2-CG1 3.34Å; I503-V531 HydrophobicContact CG1-CG2 4.49Å
532R87.5Confident69.9Low32 Ų3270 Ų7012%0.12134%0.34CS..EExtended strand (participates in β ladder)trans-118.9145.6178.8-57.2-54.1-168.5-151.31.5110.5T501 L502 Q504 A530 V534 I543 T544T501-R532 CarbonylContact C-O 3.29Å; T501-R532 WeakPolarHBondContact CA-O 3.35Å; T501-R532 WeakPolarHBondContact CG2-O 3.46Å; L502-R532 PolarHBondContact N-O 3.48Å; L502-R532 PolarHBondContact O-N 3.49Å; Q504-R532 HydrophobicContact CB-CG 3.68Å; Q504-R532 VanDerWaalsContact OE1-CZ 3.24Å; A530-R532 WeakPolarHBondContact O-CG 3.43Å; A530-R532 PolarHBondContact O-N 3.01Å; R532-V534 HydrophobicContact CB-CG2 3.96Å; R532-I543 HydrophobicContact CB-CG2 3.83Å; R532-I543 HydrophobicContact CG-CG2 3.63Å; R532-T544 CarbonylContact C-O 3.55Å; R532-T544 VanDerWaalsContact CA-O 3.29Å; R532-T544 WeakPolarHBondContact CA-O 3.28Å; R532-T544 WeakPolarHBondContact CB-O 3.26Å
533Q88.3Confident72.8Confident43 Ų4364.3 Ų64.320%0.20130%0.3CS..EExtended strand (participates in β ladder)trans-93.9123.5160.5-173.467.315.600107.7G500 T501 F535 T544 L552G500-Q533 VanDerWaalsContact O-CD 3.28Å; G500-Q533 PolarHBondContact O-NE2 3.35Å; G500-Q533 PolarHBondContact O-OE1 3.46Å; T501-Q533 PolarHBondContact OG1-OE1 3.1Å; Q533-F535 HydrophobicContact CB-CE2 4.48Å; Q533-F535 HydrophobicContact CG-CE2 3.79Å; Q533-F535 HydrophobicContact CG-CZ 3.73Å; Q533-T544 PolarHBondContact N-O 3.35Å; Q533-T544 WeakPolarHBondContact O-CA 3.3Å; Q533-T544 PolarHBondContact O-N 3.49Å; Q533-T544 PolarHBondContact O-OG1 3.29Å; Q533-L552 HydrophobicContact CB-CD1 4.29Å; Q533-L552 HydrophobicContact CB-CD2 4.01Å; Q533-L552 HydrophobicContact CG-CD1 4.08Å
534V90.6Very high75.6Confident0 Ų058.9 Ų58.90%026%0.262CS..EExtended strand (participates in β ladder)trans-117.3139.2-173.1-177.20000109.5Q499 G500 L502 R532 L541 L542 I543 W911Q499-V534 WeakPolarHBondContact CA-O 3.21Å; G500-V534 PolarHBondContact N-O 3.05Å; G500-V534 PolarHBondContact O-N 3.22Å; L502-V534 HydrophobicContact CB-CG2 4.1Å; L502-V534 HydrophobicContact CD1-CB 4.3Å; L502-V534 HydrophobicContact CD1-CG1 4.44Å; L502-V534 HydrophobicContact CD1-CG2 4.14Å; L502-V534 HydrophobicContact CG-CG2 4.39Å; R532-V534 HydrophobicContact CB-CG2 3.96Å; V534-L541 HydrophobicContact CG1-CD1 3.55Å; V534-L541 HydrophobicContact CG1-CD2 4.43Å; V534-L541 HydrophobicContact CG1-CG 3.99Å; V534-L542 WeakPolarHBondContact CA-O 3.49Å; V534-I543 HydrophobicContact CG1-CG1 4.48Å; V534-I543 HydrophobicContact CG2-CG1 4.4Å; V534-I543 HydrophobicContact CG2-CG2 4.33Å; V534-W911 HydrophobicContact CB-CH2 3.94Å; V534-W911 HydrophobicContact CB-CZ2 4.42Å; V534-W911 HydrophobicContact CG1-CH2 3.78Å; V534-W911 HydrophobicContact CG1-CZ3 4.01Å
535F90.2Very high78.3Confident1 Ų149.9 Ų49.90%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-127.5126.3177.6-54.1-96.1000109.2I478 F496 R498 Q499 Q533 F537 L542 T544 L552I478-F535 HydrophobicContact CD1-CD1 4.13Å; I478-F535 HydrophobicContact CG1-CD1 4.4Å; I478-F535 HydrophobicContact CG1-CE1 4.34Å; I478-F535 HydrophobicContact CG2-CD1 3.91Å; I478-F535 HydrophobicContact CG2-CE1 3.92Å; I478-F535 HydrophobicContact CG2-CG 4.23Å; I478-F535 HydrophobicContact CG2-CZ 4.24Å; F496-F535 HydrophobicContact CE2-CD1 4.22Å; R498-F535 CarbonylContact O-C 3.32Å; R498-F535 WeakPolarHBondContact O-CA 3.35Å; Q499-F535 HydrophobicContact CB-CD1 3.7Å; Q499-F535 HydrophobicContact CB-CE1 4.02Å; Q533-F535 HydrophobicContact CB-CE2 4.48Å; Q533-F535 HydrophobicContact CG-CE2 3.79Å; Q533-F535 HydrophobicContact CG-CZ 3.73Å; F535-F537 HydrophobicContact CB-CD2 4.41Å; F535-F537 HydrophobicContact CB-CE2 3.57Å; F535-F537 HydrophobicContact CB-CZ 4.18Å; F535-L542 HydrophobicContact CB-CB 4.4Å; F535-L542 PolarHBondContact N-O 3.02Å; F535-L542 PolarHBondContact O-N 3.21Å; F535-T544 HydrophobicContact CD2-CG2 4.37Å; F535-T544 HydrophobicContact CE2-CG2 4.18Å; F535-L552 HydrophobicContact CE2-CD1 3.75Å; F535-L552 HydrophobicContact CZ-CD1 3.59Å
536L91.2Very high80.5Confident0 Ų050.2 Ų50.20%023%0.234CC..EExtended strand (participates in β ladder)trans-100.4127.2175.4178.565.5000109.6V497 R498 L541 L563 W911 D914 I915V497-L536 HydrophobicContact CB-CB 4.43Å; V497-L536 HydrophobicContact CB-CD2 4.1Å; V497-L536 HydrophobicContact CB-CG 4.01Å; V497-L536 HydrophobicContact CG1-CD2 3.92Å; V497-L536 HydrophobicContact CG1-CG 4.39Å; V497-L536 PolarHBondContact N-O 3.49Å; R498-L536 HydrophobicContact CB-CB 4.26Å; R498-L536 HydrophobicContact CB-CD2 4.5Å; R498-L536 PolarHBondContact N-O 3.04Å; R498-L536 PolarHBondContact O-N 3.46Å; L536-L541 HydrophobicContact CB-CD1 4.06Å; L536-L541 HydrophobicContact CD1-CD1 3.94Å; L536-L563 HydrophobicContact CD1-CD1 3.74Å; L536-W911 HydrophobicContact CB-CZ3 4.04Å; L536-D914 HydrophobicContact CD2-CB 3.71Å; L536-I915 HydrophobicContact CD1-CG1 4.17Å; L536-I915 HydrophobicContact CD2-CG1 4.13Å
537F88.6Confident82.3Confident0 Ų044.8 Ų44.80%021%0.212CC..EExtended strand (participates in β ladder)trans-120.5157.1169-58.1-95.9000108.3N475 I478 L489 Q494 V495 F496 F535 N539 H540 L542 L563N475-F537 WeakPolarHBondContact OD1-CE1 3.32Å; I478-F537 HydrophobicContact CD1-CE1 4.16Å; I478-F537 HydrophobicContact CD1-CZ 3.82Å; I478-F537 HydrophobicContact CG2-CZ 4.26Å; L489-F537 HydrophobicContact CD1-CZ 4.48Å; L489-F537 HydrophobicContact CD2-CD1 4.06Å; L489-F537 HydrophobicContact CD2-CD2 4.14Å; L489-F537 HydrophobicContact CD2-CE1 3.54Å; L489-F537 HydrophobicContact CD2-CE2 3.63Å; L489-F537 HydrophobicContact CD2-CG 4.35Å; L489-F537 HydrophobicContact CD2-CZ 3.3Å; Q494-F537 HydrophobicContact CB-CB 4.45Å; Q494-F537 HydrophobicContact CB-CD1 4.5Å; V495-F537 CarbonylContact O-C 3.58Å; V495-F537 VanDerWaalsContact O-CA 3.23Å; V495-F537 WeakPolarHBondContact O-CA 3.37Å; F496-F537 HydrophobicContact CB-CD1 3.98Å; F496-F537 HydrophobicContact CB-CE1 3.79Å; F496-F537 HydrophobicContact CD2-CD1 4.32Å; F496-F537 AromaticContact CD2-CE1 3.78Å; F496-F537 HydrophobicContact CD2-CE1 3.78Å; F496-F537 AromaticContact CD2-CZ 3.94Å; F496-F537 HydrophobicContact CD2-CZ 3.94Å; F496-F537 HydrophobicContact CG-CE1 4.27Å; F535-F537 HydrophobicContact CB-CD2 4.41Å; F535-F537 HydrophobicContact CB-CE2 3.57Å; F535-F537 HydrophobicContact CB-CZ 4.18Å; F537-N539 PolarHBondContact O-N 3.14Å; F537-H540 PolarHBondContact N-O 3.27Å; F537-H540 PolarHBondContact O-N 3.19Å; F537-H540 VanDerWaalsContact O-N 3.13Å; F537-H540 VanDerWaalsContact O-O 3.08Å; F537-L542 HydrophobicContact CD2-CD1 4.42Å; F537-L542 HydrophobicContact CD2-CG 4.3Å; F537-L542 HydrophobicContact CE2-CD1 3.84Å; F537-L542 HydrophobicContact CE2-CG 4.09Å; F537-L563 WeakPolarHBondContact O-CD1 3.36Å
538T82.9Confident83.4Confident25 Ų2545.6 Ų45.615%0.15323%0.227CC..THydrogen-bonded Turntrans-44.3-38.9-178.943.40000114.6N493 V495 V497 L922N493-T538 PolarHBondContact O-OG1 2.69Å; V495-T538 HydrophobicContact CB-CG2 3.78Å; V495-T538 HydrophobicContact CG2-CG2 4.35Å; V495-T538 PolarHBondContact N-OG1 3.06Å; V495-T538 VanDerWaalsContact N-OG1 3.12Å; V495-T538 PolarHBondContact O-N 2.87Å; V497-T538 HydrophobicContact CG2-CG2 4.25Å; T538-L922 WeakPolarHBondContact O-CD1 3.47Å
539N84Confident83.6Confident43 Ų4346.4 Ų46.423%0.2324%0.238CC..THydrogen-bonded Turntrans-106.3-17.2-174.1-56.66.8000113.3F537 L563 L922F537-N539 PolarHBondContact O-N 3.14Å; N539-L563 PolarHBondContact O-N 3.45Å; N539-L563 VanDerWaalsContact O-N 3.09Å; N539-L922 HydrophobicContact CB-CD2 4.4Å
540H88.3Confident83.3Confident33 Ų3343.2 Ų43.215%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-148.1143.2-166.3-6998.8000113.6Q494 F537 I561Q494-H540 PolarHBondContact NE2-CE1 3.26Å; Q494-H540 PolarHBondContact NE2-ND1 3.03Å; F537-H540 PolarHBondContact N-O 3.27Å; F537-H540 PolarHBondContact O-N 3.19Å; F537-H540 VanDerWaalsContact O-N 3.13Å; F537-H540 VanDerWaalsContact O-O 3.08Å; H540-I561 CarbonylContact C-O 3.59Å; H540-I561 VanDerWaalsContact CA-O 3.24Å; H540-I561 WeakPolarHBondContact CA-O 3.42Å; H540-I561 PolarHBondContact CD2-O 2.71Å
541L90.1Very high82.8Confident1 Ų148.9 Ų48.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-104.2124.6167.1-171.272.7000109.4V534 L536 I561 L563 L886 W911V534-L541 HydrophobicContact CG1-CD1 3.55Å; V534-L541 HydrophobicContact CG1-CD2 4.43Å; V534-L541 HydrophobicContact CG1-CG 3.99Å; L536-L541 HydrophobicContact CB-CD1 4.06Å; L536-L541 HydrophobicContact CD1-CD1 3.94Å; L541-I561 HydrophobicContact CB-CB 4.24Å; L541-I561 HydrophobicContact CD2-CD1 4.19Å; L541-I561 PolarHBondContact N-O 3.4Å; L541-I561 WeakPolarHBondContact O-CB 3.38Å; L541-I561 PolarHBondContact O-N 3.4Å; L541-L563 HydrophobicContact CB-CD2 4.2Å; L541-L886 HydrophobicContact CD2-CD1 3.49Å; L541-L886 VanDerWaalsContact CD2-CD1 3.49Å; L541-W911 HydrophobicContact CD1-CZ3 4.2Å
542L89.8Confident82.8Confident0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-104.6119.7175.7-59.5-171.4000110.7I482 L488 L489 V534 F535 F537 L554 G559 K560I482-L542 HydrophobicContact CD1-CD1 4.25Å; L488-L542 HydrophobicContact CD1-CD2 4.29Å; L489-L542 HydrophobicContact CD1-CD1 4.16Å; L489-L542 HydrophobicContact CD2-CD1 3.92Å; L489-L542 HydrophobicContact CG-CD1 4.18Å; V534-L542 WeakPolarHBondContact CA-O 3.49Å; F535-L542 HydrophobicContact CB-CB 4.4Å; F535-L542 PolarHBondContact N-O 3.02Å; F535-L542 PolarHBondContact O-N 3.21Å; F537-L542 HydrophobicContact CD2-CD1 4.42Å; F537-L542 HydrophobicContact CD2-CG 4.3Å; F537-L542 HydrophobicContact CE2-CD1 3.84Å; F537-L542 HydrophobicContact CE2-CG 4.09Å; L542-L554 HydrophobicContact CB-CD2 4.24Å; L542-L554 HydrophobicContact CD1-CD2 4.46Å; L542-L554 HydrophobicContact CD2-CD2 4.22Å; L542-G559 WeakPolarHBondContact CA-O 3.45Å; L542-K560 HydrophobicContact CD2-CB 4.31Å; L542-K560 HydrophobicContact CD2-CG 4.05Å
543I89.4Confident82.7Confident0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-104.1118.8175-54.4-175.5000108.8R532 V534 V555 G559 I561 I898 L900R532-I543 HydrophobicContact CB-CG2 3.83Å; R532-I543 HydrophobicContact CG-CG2 3.63Å; V534-I543 HydrophobicContact CG1-CG1 4.48Å; V534-I543 HydrophobicContact CG2-CG1 4.4Å; V534-I543 HydrophobicContact CG2-CG2 4.33Å; I543-V555 HydrophobicContact CB-CG2 4.48Å; I543-V555 HydrophobicContact CG2-CB 4.48Å; I543-V555 HydrophobicContact CG2-CG2 3.84Å; I543-V555 WeakPolarHBondContact O-CG2 3.43Å; I543-V555 PolarHBondContact O-N 3.04Å; I543-G559 PolarHBondContact N-O 2.76Å; I543-G559 VanDerWaalsContact O-CA 3.3Å; I543-G559 WeakPolarHBondContact O-CA 3.45Å; I543-I561 HydrophobicContact CD1-CD1 3.56Å; I543-I561 HydrophobicContact CG1-CD1 3.95Å; I543-I898 HydrophobicContact CD1-CG2 4.06Å; I543-L900 HydrophobicContact CD1-CD2 4.41Å
544T88.7Confident82.5Confident0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans-119.1146.3-179.971.10000112.5I482 R532 Q533 F535 R553 L554I482-T544 HydrophobicContact CD1-CG2 4.28Å; I482-T544 HydrophobicContact CG1-CG2 4.38Å; R532-T544 CarbonylContact C-O 3.55Å; R532-T544 VanDerWaalsContact CA-O 3.29Å; R532-T544 WeakPolarHBondContact CA-O 3.28Å; R532-T544 WeakPolarHBondContact CB-O 3.26Å; Q533-T544 PolarHBondContact N-O 3.35Å; Q533-T544 WeakPolarHBondContact O-CA 3.3Å; Q533-T544 PolarHBondContact O-N 3.49Å; Q533-T544 PolarHBondContact O-OG1 3.29Å; F535-T544 HydrophobicContact CD2-CG2 4.37Å; F535-T544 HydrophobicContact CE2-CG2 4.18Å; T544-R553 CarbonylContact C-O 3.56Å; T544-R553 VanDerWaalsContact CA-O 3.23Å; T544-R553 WeakPolarHBondContact CA-O 3.37Å; T544-R553 WeakPolarHBondContact CB-O 3.38Å; T544-L554 HydrophobicContact CG2-CD2 4.01Å
545A84Confident82.1Confident28 Ų2849.4 Ų49.423%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-102142.6168.100000109.6L552 R553 V555A545-L552 CarbonylContact O-C 3.59Å; A545-R553 PolarHBondContact N-O 2.74Å; A545-R553 PolarHBondContact O-N 3.36Å; A545-V555 HydrophobicContact CB-CG2 4.26Å
546R79.6Confident81.2Confident190 Ų19057.7 Ų57.772%0.71729%0.285SS*.EExtended strand (participates in β ladder)trans-79.1127.2172.6-159.7173-164-179.62.7109.6G550 L552R546-G550 WeakPolarHBondContact CG-O 3.36Å; R546-G550 PolarHBondContact NE-O 2.82Å; R546-L552 HydrophobicContact CB-CD2 4.15Å; R546-L552 HydrophobicContact CG-CD2 4.16Å
547T74.9Confident80.1Confident45 Ų4564.9 Ų64.928%0.27632%0.323SS..PPolyproline II helixtrans-77.5159.7173.364.50000110.7N549 G550 K551 R553T547-N549 PolarHBondContact O-N 3.41Å; T547-G550 PolarHBondContact O-N 2.73Å; T547-K551 WeakPolarHBondContact CB-O 3.37Å; T547-K551 PolarHBondContact N-O 2.59Å; T547-K551 PolarHBondContact OG1-O 2.87Å; T547-R553 HydrophobicContact CG2-CB 3.95Å
548N69.5Low79.4Confident169 Ų16965.7 Ų65.790%0.90433%0.329SS*.THydrogen-bonded Turntrans-54.8-25.8176.3-57.118.9000112.5G550N548-G550 PolarHBondContact O-N 3.18Å
549N62.6Low79.1Confident146 Ų14664.6 Ų64.678%0.78132%0.323SS*.THydrogen-bonded Turntrans-87.717.1179.2-57.524000112.4T547 K551T547-N549 PolarHBondContact O-N 3.41Å; N549-K551 PolarHBondContact O-N 2.93Å
550G66.2Low79.2Confident35 Ų3566.2 Ų66.236%0.36133%0.328SS..SBendtrans77.4-21.9175.500000116.2R546 T547 N548R546-G550 WeakPolarHBondContact CG-O 3.36Å; R546-G550 PolarHBondContact NE-O 2.82Å; T547-G550 PolarHBondContact O-N 2.73Å; N548-G550 PolarHBondContact O-N 3.18Å
551K70.5Confident79.1Confident138 Ų13864.7 Ų64.760%0.632%0.321SS*.  trans-73.8155.5177.1-56.7-171.6178.5-172.40112.2V483 T547 N549V483-K551 HydrophobicContact CG2-CB 3.56Å; V483-K551 HydrophobicContact CG2-CD 3.86Å; V483-K551 HydrophobicContact CG2-CG 4.35Å; T547-K551 WeakPolarHBondContact CB-O 3.37Å; T547-K551 PolarHBondContact N-O 2.59Å; T547-K551 PolarHBondContact OG1-O 2.87Å; N549-K551 PolarHBondContact O-N 2.93Å
552L82.7Confident78.9Confident14 Ų1465.8 Ų65.87%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-89.3154.4179.6-57.5176.6000111.3M481 V483 Q533 F535 A545 R546M481-L552 HydrophobicContact CB-CD1 4.5Å; M481-L552 HydrophobicContact CE-CD1 4.16Å; M481-L552 PolarHBondContact O-N 3.1Å; V483-L552 WeakPolarHBondContact CB-O 3.32Å; V483-L552 WeakPolarHBondContact CG2-O 3.3Å; V483-L552 PolarHBondContact N-O 3.11Å; Q533-L552 HydrophobicContact CB-CD1 4.29Å; Q533-L552 HydrophobicContact CB-CD2 4.01Å; Q533-L552 HydrophobicContact CG-CD1 4.08Å; F535-L552 HydrophobicContact CE2-CD1 3.75Å; F535-L552 HydrophobicContact CZ-CD1 3.59Å; A545-L552 CarbonylContact O-C 3.59Å; R546-L552 HydrophobicContact CB-CD2 4.15Å; R546-L552 HydrophobicContact CG-CD2 4.16Å
553R84.5Confident78.8Confident113 Ų11365.8 Ų65.843%0.42633%0.329SS..EExtended strand (participates in β ladder)trans-143.5140.6171.7-165.6-179.1-165.3177.110110.1V483 D484 T544 A545 T547V483-R553 HydrophobicContact CB-CB 4.47Å; V483-R553 HydrophobicContact CB-CG 4.44Å; D484-R553 IonicContact OD1-NH2 3.09Å; D484-R553 IonicContact OD2-CZ 2.77Å; D484-R553 IonicContact OD2-NE 2.77Å; D484-R553 PolarHBondContact OD2-NE 2.92Å; D484-R553 IonicContact OD2-NH2 3.74Å; D484-R553 PolarHBondContact OD2-NH2 2.73Å; T544-R553 CarbonylContact C-O 3.56Å; T544-R553 VanDerWaalsContact CA-O 3.23Å; T544-R553 WeakPolarHBondContact CA-O 3.37Å; T544-R553 WeakPolarHBondContact CB-O 3.38Å; A545-R553 PolarHBondContact N-O 2.74Å; A545-R553 PolarHBondContact O-N 3.36Å; T547-R553 HydrophobicContact CG2-CB 3.95Å
554L84.3Confident78.4Confident35 Ų3568.8 Ų68.818%0.18335%0.347CS..EExtended strand (participates in β ladder)trans-59.7138.6177.2-66.2161.4000111.1I482 C486 L542 T544 G559 K560I482-L554 HydrophobicContact CG2-CD1 4.21Å; I482-L554 HydrophobicContact CG2-CG 3.95Å; C486-L554 HydrophobicContact CB-CD1 4.27Å; L542-L554 HydrophobicContact CB-CD2 4.24Å; L542-L554 HydrophobicContact CD1-CD2 4.46Å; L542-L554 HydrophobicContact CD2-CD2 4.22Å; T544-L554 HydrophobicContact CG2-CD2 4.01Å; L554-G559 VanDerWaalsContact CD2-O 3.27Å; L554-G559 WeakPolarHBondContact CD2-O 3.43Å; L554-K560 HydrophobicContact CD1-CD 4.42Å; L554-K560 HydrophobicContact CD1-CG 4.09Å; L554-K560 HydrophobicContact CD2-CG 4.31Å
555V82.9Confident78.1Confident21 Ų2170.7 Ų70.713%0.12736%0.355CS..PPolyproline II helixtrans-69.1137.2177.8178.90000110.1I543 A545 G559I543-V555 HydrophobicContact CB-CG2 4.48Å; I543-V555 HydrophobicContact CG2-CB 4.48Å; I543-V555 HydrophobicContact CG2-CG2 3.84Å; I543-V555 WeakPolarHBondContact O-CG2 3.43Å; I543-V555 PolarHBondContact O-N 3.04Å; A545-V555 HydrophobicContact CB-CG2 4.26Å; V555-G559 WeakPolarHBondContact O-CA 3.23Å; V555-G559 PolarHBondContact O-N 2.79Å
556K70.7Confident78.1Confident175 Ų17569.6 Ų69.676%0.76135%0.346SS*.THydrogen-bonded Turntrans-63.3139.3177.7-67.2-174.1177.4-176.50110.4C558K556-C558 PolarHBondContact O-N 2.95Å
557N68.5Low78.3Confident151 Ų15164.5 Ų64.581%0.80734%0.336SS*.THydrogen-bonded Turntrans64.5-18.7179.1-51.3-11.3000117.1W888N557-W888 WeakPolarHBondContact O-CZ3 3.44Å
558C73.8Confident79Confident17 Ų1764 Ų6412%0.11533%0.332CS..THydrogen-bonded Turntrans-139.816.4178.960.30000114.9Q504 K556 I561 I898Q504-C558 PolarHBondContact NE2-SG 3.01Å; Q504-C558 VanDerWaalsContact NE2-SG 3.44Å; K556-C558 PolarHBondContact O-N 2.95Å; C558-I561 WeakPolarHBondContact O-CD1 3.41Å; C558-I561 WeakPolarHBondContact O-CG1 3.34Å; C558-I898 HydrophobicContact CB-CD1 3.82Å
559G76.8Confident79.7Confident3 Ų358.3 Ų58.33%0.03130%0.303CS..SBendtrans-81-19.7-178.800000115.7L542 I543 L554 V555L542-G559 WeakPolarHBondContact CA-O 3.45Å; I543-G559 PolarHBondContact N-O 2.76Å; I543-G559 VanDerWaalsContact O-CA 3.3Å; I543-G559 WeakPolarHBondContact O-CA 3.45Å; L554-G559 VanDerWaalsContact CD2-O 3.27Å; L554-G559 WeakPolarHBondContact CD2-O 3.43Å; V555-G559 WeakPolarHBondContact O-CA 3.23Å; V555-G559 PolarHBondContact O-N 2.79Å
560K85.8Confident80.4Confident77 Ų7755.6 Ų55.634%0.33529%0.286SS..EExtended strand (participates in β ladder)trans-121.2113.9171.8-64.6-179.7175.9-172.60107D487 L488 L542 L554D487-K560 IonicContact OD2-NZ 3.48Å; D487-K560 PolarHBondContact OD2-NZ 2.92Å; L488-K560 HydrophobicContact CD1-CB 4.02Å; L488-K560 HydrophobicContact CD1-CD 3.79Å; L488-K560 HydrophobicContact CD1-CG 3.98Å; L488-K560 HydrophobicContact CG-CD 4.36Å; L542-K560 HydrophobicContact CD2-CB 4.31Å; L542-K560 HydrophobicContact CD2-CG 4.05Å; L554-K560 HydrophobicContact CD1-CD 4.42Å; L554-K560 HydrophobicContact CD1-CG 4.09Å; L554-K560 HydrophobicContact CD2-CG 4.31Å
561I86.1Confident80.4Confident1 Ų159.6 Ų59.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-121.3130.4-177.2-59.5161.6000108.7H540 L541 I543 C558 C566 W888 I898H540-I561 CarbonylContact C-O 3.59Å; H540-I561 VanDerWaalsContact CA-O 3.24Å; H540-I561 WeakPolarHBondContact CA-O 3.42Å; H540-I561 PolarHBondContact CD2-O 2.71Å; L541-I561 HydrophobicContact CB-CB 4.24Å; L541-I561 HydrophobicContact CD2-CD1 4.19Å; L541-I561 PolarHBondContact N-O 3.4Å; L541-I561 WeakPolarHBondContact O-CB 3.38Å; L541-I561 PolarHBondContact O-N 3.4Å; I543-I561 HydrophobicContact CD1-CD1 3.56Å; I543-I561 HydrophobicContact CG1-CD1 3.95Å; C558-I561 WeakPolarHBondContact O-CD1 3.41Å; C558-I561 WeakPolarHBondContact O-CG1 3.34Å; I561-C566 WeakPolarHBondContact CG2-SG 3.5Å; I561-W888 HydrophobicContact CG2-CB 4.39Å; I561-W888 HydrophobicContact CG2-CD2 4.36Å; I561-W888 HydrophobicContact CG2-CG 4.03Å; I561-I898 HydrophobicContact CD1-CD1 3.51Å; I561-I898 HydrophobicContact CG1-CD1 4.14Å
562S86.3Confident79.6Confident24 Ų2454.4 Ų54.417%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-87.5121.5174.81780000109.9V564 E565 C566S562-V564 VanDerWaalsContact C-N 3.25Å; S562-V564 PolarHBondContact O-N 2.64Å; S562-E565 PolarHBondContact O-N 2.98Å; S562-E565 VanDerWaalsContact O-N 3.09Å; S562-C566 PolarHBondContact O-SG 3.1Å
563L86.6Confident77.3Confident0 Ų058.8 Ų58.80%031%0.306CS..G310 helixtrans-69.7-24.1-177.6-68.9174.8000112.8L536 F537 N539 L541 E565 C566 C918 I919 L922L536-L563 HydrophobicContact CD1-CD1 3.74Å; F537-L563 WeakPolarHBondContact O-CD1 3.36Å; N539-L563 PolarHBondContact O-N 3.45Å; N539-L563 VanDerWaalsContact O-N 3.09Å; L541-L563 HydrophobicContact CB-CD2 4.2Å; L563-E565 PolarHBondContact O-N 3.14Å; L563-C566 PolarHBondContact O-N 3.24Å; L563-C918 HydrophobicContact CD1-CB 3.74Å; L563-I919 HydrophobicContact CB-CG1 4.15Å; L563-I919 HydrophobicContact CD2-CG1 4.28Å; L563-L922 HydrophobicContact CB-CD1 3.47Å; L563-L922 VanDerWaalsContact CB-CD1 3.47Å
564V82.2Confident74.6Confident62 Ų6257.1 Ų57.138%0.37632%0.317SS..G310 helixtrans-64.3-17.5172.2-172.10000112.3S562 L922S562-V564 VanDerWaalsContact C-N 3.25Å; S562-V564 PolarHBondContact O-N 2.64Å; V564-L922 HydrophobicContact CG2-CB 4.24Å; V564-L922 HydrophobicContact CG2-CD1 3.88Å; V564-L922 HydrophobicContact CG2-CD2 3.95Å; V564-L922 HydrophobicContact CG2-CG 4.25Å
565E81.8Confident71.8Confident40 Ų4064.4 Ų64.419%0.18735%0.35CS..G310 helixtrans-112.318.2-178.7-64.4174.8168.400111.5S562 L563 W888 E889 K891S562-E565 PolarHBondContact O-N 2.98Å; S562-E565 VanDerWaalsContact O-N 3.09Å; L563-E565 PolarHBondContact O-N 3.14Å; E565-W888 WeakPolarHBondContact O-CA 3.41Å; E565-W888 PolarHBondContact OE2-NE1 3.08Å; E565-E889 PolarHBondContact O-N 3.13Å; E565-K891 WeakPolarHBondContact OE1-CG 3.46Å; E565-K891 IonicContact OE1-NZ 3.4Å; E565-K891 PolarHBondContact OE1-NZ 3.05Å
566C84.2Confident69Low6 Ų671.2 Ų71.24%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-119.3143.5-175.6-80.80000114.2I561 S562 L563 I887 I919I561-C566 WeakPolarHBondContact CG2-SG 3.5Å; S562-C566 PolarHBondContact O-SG 3.1Å; L563-C566 PolarHBondContact O-N 3.24Å; C566-I887 VanDerWaalsContact CA-O 3.28Å; C566-I887 WeakPolarHBondContact CA-O 3.47Å; C566-I919 HydrophobicContact CB-CD1 4.31Å
567T84.3Confident67Low82 Ų8272.2 Ų72.250%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-117.7139.1160.350.70000110.2I887T567-I887 PolarHBondContact N-O 3.15Å; T567-I887 PolarHBondContact O-N 2.96Å
568L88.2Confident65Low36 Ų3672.3 Ų72.319%0.18839%0.39CS..EExtended strand (participates in β ladder)trans-94.9136.4176.117864.9000109.4E570 F884 L886 C912 I915L568-E570 HydrophobicContact CD2-CG 4.16Å; L568-E570 HydrophobicContact CG-CG 4.11Å; L568-F884 HydrophobicContact CD1-CD2 3.89Å; L568-L886 HydrophobicContact CB-CD2 4.31Å; L568-L886 HydrophobicContact CD1-CD2 3.86Å; L568-L886 HydrophobicContact CD1-CG 4.46Å; L568-C912 HydrophobicContact CD2-CB 4.04Å; L568-I915 HydrophobicContact CD2-CB 4.48Å; L568-I915 HydrophobicContact CD2-CG2 4.2Å
569V85Confident62.8Low49 Ų4979.9 Ų79.930%0.29743%0.426SS..EExtended strand (participates in β ladder)trans-128.4111.2175.3-179.10000107.8D571 R885 I887V569-D571 WeakPolarHBondContact CG1-O 3.47Å; V569-R885 HydrophobicContact CB-CB 4.24Å; V569-R885 PolarHBondContact N-O 3.26Å; V569-R885 PolarHBondContact O-N 3.39Å; V569-I887 HydrophobicContact CG2-CD1 4.12Å
570E77.9Confident60.5Low88 Ų8886.8 Ų86.841%0.41146%0.462SS..  trans-87.1-29.8-173.1-57.6-166.4-165.600113.3L568 K908 C912L568-E570 HydrophobicContact CD2-CG 4.16Å; L568-E570 HydrophobicContact CG-CG 4.11Å; E570-K908 WeakPolarHBondContact O-CE 3.46Å; E570-K908 PolarHBondContact O-NZ 3.46Å; E570-C912 HydrophobicContact CG-CB 4.26Å; E570-C912 WeakPolarHBondContact OE1-CB 3.35Å
571D64.5Low57.7Low119 Ų11989.8 Ų89.864%0.63648%0.482SS*.  trans-106.2121.7177.1-71-38.5000110.8V569V569-D571 WeakPolarHBondContact CG1-O 3.47Å
572T54.2Low54.8Low29 Ų2997.6 Ų97.618%0.17852%0.518CS..  trans-106.30.7-174.153.40000113.5A574 D883 R885 W899T572-A574 PolarHBondContact O-N 3.33Å; T572-D883 WeakPolarHBondContact CB-OD2 3.35Å; T572-D883 WeakPolarHBondContact CG2-OD2 3.1Å; T572-D883 PolarHBondContact OG1-OD2 2.96Å; T572-R885 HydrophobicContact CG2-CB 4.26Å; T572-W899 HydrophobicContact CG2-CE3 4.11Å; T572-W899 HydrophobicContact CG2-CH2 3.96Å; T572-W899 HydrophobicContact CG2-CZ3 3.5Å; T572-W899 VanDerWaalsContact CG2-CZ3 3.5Å
573T34.7Very low51.9Low106 Ų106101.9 Ų101.965%0.6554%0.539SS*.  trans-9936.6-168.851.10000114.1
574A27.1Very low49.1Very low79 Ų79108.9 Ų108.965%0.65357%0.572SS**  trans-137.3154.6171.100000112T572T572-A574 PolarHBondContact O-N 3.33Å
575E26.2Very low46.3Very low188 Ų188113.1 Ų113.188%0.87959%0.592SS**  trans60.6105.9167.6-59.7-177.3179.900119
576L24.7Very low43.5Very low164 Ų164117.7 Ų117.786%0.85962%0.617SS**  trans-164.3155139.4-111.3168.8000110.2
577F27.4Very low40.6Very low195 Ų195123.5 Ų123.586%0.85565%0.652SS**  trans69.7120.8-157-51.4-70000112.2
578N26.8Very low37.7Very low154 Ų154124.8 Ų124.882%0.82466%0.66SS**  cis-115.7146.513.6-64.5-26.3000114
579M26.8Very low34.6Very low175 Ų175130.2 Ų130.286%0.86269%0.69SS**  trans-140.7179.1144.6-85-147.6143.200107.7
580D28.9Very low31.6Very low148 Ų148136.6 Ų136.679%0.79172%0.716SS**  trans79132.8-178.8-40.80.5000114
581D27.1Very low29Very low141 Ų141141 Ų14175%0.75474%0.737SS**  cis-169.8176-32.3-111.7-27.8000110.2
582E25.5Very low27Very low164 Ų164144 Ų14477%0.76674%0.744SS**  trans70.3155.9170.3-46.5-61.3-176.400118
583D26.2Very low25.3Very low114 Ų114147.6 Ų147.661%0.6177%0.769SS**  cis-155.6166.87.4-146.3-35.9000112.9
584Q28Very low24.7Very low147 Ų147150.4 Ų150.469%0.68778%0.775SS**  trans43.2116.3159.5-77.6147.37100121.1
585L23.6Very low24.4Very low152 Ų152153.1 Ų153.180%0.79677%0.774SS**  51.9116.575.9-60.7171.8000113.7
586N22.4Very low24.2Very low136 Ų136149.3 Ų149.373%0.72776%0.76SS**  cis-168.5157.443.2-112.2-24000113.8
587V23.7Very low24Very low127 Ų127147.9 Ų147.977%0.7775%0.753SS**  trans5.9127.5133.4-177.10000116.3
588T21.7Very low23.9Very low110 Ų110144.6 Ų144.668%0.67575%0.749SS**  cis-133.9178.431.7600000112.1
589N23.9Very low23.8Very low150 Ų150141.6 Ų141.680%0.80274%0.74SS**  cis-153154.438.4-82-43.9000112.7
590E22.7Very low23.5Very low182 Ų182141.3 Ų141.385%0.8574%0.737SS**  trans-81.3133.1149.1-63.4-177.1136.400109.8
591Q23.2Very low23.3Very low182 Ų182141 Ų14185%0.8573%0.732SS**  trans-168.8144.8138.9-112.5169.251.700113.9
592K21Very low23.1Very low182 Ų182138.8 Ų138.879%0.79172%0.724SS**  trans14.4112.2145.3-73.6179.5177.2179.60116.9
593C20.4Very low23.2Very low103 Ų103138.8 Ų138.870%0.69672%0.722SS**  87142.481.2-76.70000112.9
594Q20.2Very low23.2Very low166 Ų166139.6 Ų139.678%0.77673%0.726SS**  trans67.8145.1164.5-64.6172.6-76.200115.2
595Q21Very low23.1Very low135 Ų135138.3 Ų138.363%0.63172%0.723SS**  cis-157.1177.9-17.2-128.3176.9-93.400109.2
596D22.5Very low23.2Very low109 Ų109136.8 Ų136.858%0.58372%0.721SS**  trans60.6116.9146.9-67.710.7000120.5
597N21.2Very low23.3Very low134 Ų134135.9 Ų135.972%0.71772%0.72SS**  60.2113.3129.5-51.8-38.1000117.6
598T25.8Very low23.4Very low126 Ų126136.5 Ų136.577%0.77371%0.714SS**  -161.2140.263.222.20000114.4
599S23Very low23.5Very low91 Ų91137.9 Ų137.964%0.63672%0.717SS**  trans59.1118.2131.6-54.70000121.5
600Q21.8Very low23.4Very low168 Ų168138 Ų13879%0.78572%0.717SS**  42.7139.6104.9-61.4174.5-2.700118.1
601M23.2Very low23.4Very low141 Ų141134.1 Ų134.170%0.69571%0.71SS**  cis-170.3160.220.7-131.516462.500112
602T23.4Very low23.6Very low96 Ų96131.1 Ų131.159%0.58970%0.704SS**  trans24.9143.8144.958.40000121.5
603K27.9Very low23.7Very low164 Ų164128.6 Ų128.671%0.71370%0.704SS**  cis-173.5145.941.4-130145.1-170.2171.90111.1
604N26Very low24.2Very low130 Ų130128.9 Ų128.970%0.69570%0.704SS**  trans52.6142.5140.5-63.224.8000120.3
605N26.6Very low24.4Very low120 Ų120127.7 Ų127.764%0.64270%0.703SS**  cis-172149.211.6-118.39.7000111.9
606T24.7Very low24.6Very low121 Ų121127.4 Ų127.474%0.74271%0.706SS**  trans50.4134.6142.764.50000120.8
607V24.9Very low24.7Very low117 Ų117127 Ų12771%0.70971%0.707SS**  cis-142.3164.619.5176.40000110.5
608Q25.6Very low24.9Very low139 Ų139127.2 Ų127.265%0.6571%0.708SS**  trans-28.6158.8162.2-51.2147.3-25.200115.7
609L24.4Very low24.9Very low140 Ų140126.1 Ų126.173%0.73370%0.701SS**  cis-154.6177.933.7-150.6125000111.2
610L22.4Very low25Very low151 Ų151128.4 Ų128.479%0.79171%0.706SS**  trans-32.5141.6-179.5-75.251.7000115.6
611S22.3Very low25Very low101 Ų101126 Ų12671%0.70670%0.703SS**  cis-160.2141.4-1.746.40000112.9
612T26.1Very low25Very low120 Ų120127.1 Ų127.174%0.73671%0.706SS**  trans47.490.7155.752.60000121.2
613T24.6Very low25.1Very low129 Ų129128.9 Ų128.979%0.79171%0.712SS**  65.2162.4129.548.20000120.7
614P29.6Very low24.8Very low108 Ų108127.5 Ų127.570%0.70171%0.712SS**  cis-128.8152.67.739-22.1000118.1
615L24.5Very low24.6Very low141 Ų141125.9 Ų125.974%0.73871%0.707SS**  34.4141.3126.4-48175.1000119.4
616N25.9Very low24.5Very low130 Ų130130.4 Ų130.470%0.69572%0.715SS**  cis-174.81718.9-108.50.7000109.3
617V24.6Very low24.4Very low99 Ų99130.3 Ų130.360%0.671%0.71SS**  cis-175.2142.2-28.566.50000111.5
618N26Very low24.5Very low140 Ų140130.4 Ų130.475%0.74972%0.716SS**  trans64157.1154.3-75.43.2000121.5
619T24.6Very low24.5Very low103 Ų103130.1 Ų130.163%0.63272%0.717SS**  cis-155.11592.6-2.80000114.5
620N25.1Very low24.3Very low139 Ų139128.1 Ų128.174%0.74372%0.715SS**  trans78.3122.5139.2-77.3-13000124.8
621V23.3Very low24.3Very low117 Ų117127.3 Ų127.371%0.70972%0.716SS**  91.1130.5123.8170.10000121
622E22.7Very low24.3Very low165 Ų165127.6 Ų127.677%0.77172%0.718SS**  trans76.3146.6156.7-89.8177.4-171.700125.2
623L24.8Very low24.1Very low133 Ų133127.2 Ų127.270%0.69672%0.716SS**  trans49.296.9148.2-65.9168.1000121.1
624N21.4Very low24Very low134 Ų134129.4 Ų129.472%0.71772%0.722SS**  44.4124.9111.3-99.5-20.2000120.5
625T22.9Very low23.8Very low97 Ų97128 Ų12860%0.59573%0.727SS**  trans70.9121.9138.556.70000120.9
626R23.6Very low23.7Very low214 Ų214127.2 Ų127.281%0.80873%0.728SS**  trans74153.4138.6-65.5170.3177.1166.8-2.5116
627N23.3Very low23.8Very low120 Ų120128.2 Ų128.264%0.64273%0.734SS**  cis-160.1136.8-14-114.2-2.4000110.8I629N627-I629 HydrophobicContact CB-CD1 4.11Å; N627-I629 HydrophobicContact CB-CG1 4.13Å
628S26.4Very low23.7Very low118 Ų118128.2 Ų128.283%0.82574%0.738SS**  trans-141.5110136.342.30000107.2
629I25Very low23.8Very low133 Ų133128 Ų12868%0.68274%0.742SS**  77.9121.656.3-63.4165.3000110.6N627N627-I629 HydrophobicContact CB-CD1 4.11Å; N627-I629 HydrophobicContact CB-CG1 4.13Å
630S21.4Very low23.8Very low99 Ų99128.4 Ų128.469%0.69275%0.745SS**  cis-163.1153.1-1349.80000113.6
631V22.3Very low23.8Very low133 Ų133128.5 Ų128.581%0.80675%0.745SS**  trans-21.9134.2153-179.50000116.1
632S22.5Very low23.8Very low107 Ų107129 Ų12975%0.74875%0.749SS**  trans-150.6106.7152.1-77.80000112.9
633T22.7Very low23.9Very low112 Ų112127 Ų12769%0.68775%0.748SS**  trans32.2130.5138.455.90000123.7
634L21.3Very low23.9Very low175 Ų175126.4 Ų126.492%0.91675%0.75SS**  trans49.1119.8136.9-76.970.4000119.8
635G25.9Very low24Very low80 Ų80126.2 Ų126.283%0.82575%0.754SS**  trans-161115.1166.600000112.3
636T22.7Very low24.1Very low123 Ų123126.8 Ų126.876%0.75576%0.762SS**  trans-80.3165.5-173.649.60000114.9
637N27.2Very low24.1Very low151 Ų151121.6 Ų121.681%0.80776%0.758SS**  trans100.2118.9153.8-58.6-23.5000119.8
638S22.1Very low24.2Very low100 Ų100122.8 Ų122.870%0.69977%0.765SS**  trans-63.9152.7160.150.30000114.1
639T28.8Very low24.1Very low135 Ų135123.7 Ų123.783%0.82876%0.759SS**  -176.6155.4111.923.20000114.3
640T25.1Very low24Very low112 Ų112122.1 Ų122.169%0.68776%0.76SS**  trans-32.2155.9161.948.70000117
641N24.4Very low24.1Very low140 Ų140124.7 Ų124.775%0.74976%0.762SS**  cis-165.917510.2-118.7-7.7000113.8
642T23.4Very low24.2Very low128 Ų128123.5 Ų123.579%0.78576%0.756SS**  trans78.1146.8158.145.40000123.3
643T24.7Very low24.3Very low124 Ų124124.4 Ų124.476%0.76176%0.757SS**  trans74.8104.8159.5390000123
644T24.1Very low24.4Very low120 Ų120126.1 Ų126.174%0.73676%0.757SS**  trans63.1120.6134.450.10000124.1
645T23.7Very low24.7Very low129 Ų129122.2 Ų122.279%0.79173%0.734SS**  trans83.3131.5136.451.70000123.4
646S24.5Very low24.6Very low109 Ų109124.9 Ų124.976%0.76273%0.728SS**  trans89.6139.9154.875.50000120.8
647S25.2Very low24.7Very low105 Ų105122.6 Ų122.673%0.73473%0.729SS**  trans55.8112166.140.50000121.4
648N24Very low24.6Very low146 Ų146123.2 Ų123.278%0.78173%0.727SS**  22.7136.6115.8-67.82.8000119
649I25Very low24.6Very low136 Ų136125.6 Ų125.670%0.69773%0.727SS**  cis-159.1134.99.3-108.1156.9000110.1
650S22.6Very low24.3Very low101 Ų101126.2 Ų126.271%0.70673%0.725SS**  trans51145.3157.4800000120.3
651M24Very low24.5Very low152 Ų152125.1 Ų125.175%0.74972%0.72SS**  cis-150.4146.627.4-82.4-75.4-79.800111.7
652T23.6Very low24.4Very low109 Ų109123 Ų12367%0.66971%0.705SS**  trans32.313414363.30000121.4
653T24.7Very low24.4Very low125 Ų125120.9 Ų120.977%0.76769%0.689SS**  cis-158.2161.418.139.80000113.9
654H26.2Very low24.3Very low148 Ų148121 Ų12169%0.68569%0.685SS**  trans116.498138.3-122.4-86.7000120.7
655E25.8Very low24.2Very low94 Ų94120.6 Ų120.644%0.43968%0.678SS.*  trans58.7137.3143.4-72.8-175.2163.500125.3K1581E655-K1581 IonicContact OE1-NZ 3.06Å; E655-K1581 PolarHBondContact OE1-NZ 2.86Å
656L24.7Very low24.5Very low135 Ų135124.2 Ų124.271%0.70768%0.682SS**  trans69.4133158.5-64.3161.8000118.6I1579L656-I1579 HydrophobicContact CD2-CD1 3.74Å; L656-I1579 HydrophobicContact CD2-CG1 4.37Å
657G25.5Very low24.3Very low75 Ų75129 Ų12977%0.77368%0.684SS**  trans178.9-36.6175.400000120.9
658Q24.3Very low24.3Very low164 Ų164132.9 Ų132.977%0.76669%0.688SS**  trans69139.3176.5-71.9-163.918.300121.2
659Q23.1Very low24.6Very low150 Ų150132.3 Ų132.370%0.70168%0.684SS**  trans69.8111.6144.4-67.9-177.237.700124.4
660L22.5Very low24.4Very low148 Ų148131.2 Ų131.278%0.77569%0.687SS**  trans63.6163.6130.9-84.780.2000121
661P28.9Very low24.5Very low89 Ų89130 Ų13058%0.57868%0.676SS**  cis-141.2165.1-36.539.2-22.6000116.3
662Q22.6Very low24.2Very low96 Ų96129.5 Ų129.545%0.44968%0.677SS.*  trans66.3151.4144-65.7153.821.300123.7Q703 S704Q662-Q703 WeakPolarHBondContact CG-O 3.22Å; Q662-Q703 PolarHBondContact NE2-O 3.06Å; Q662-S704 WeakPolarHBondContact CG-O 3.2Å; Q662-S704 PolarHBondContact NE2-OG 3.49Å; Q662-S704 VanDerWaalsContact NE2-OG 3.16Å; Q662-S704 PolarHBondContact OE1-O 3.39Å; Q662-S704 PolarHBondContact OE1-OG 2.99Å
663N22.8Very low24.1Very low83 Ų83128.9 Ų128.944%0.44468%0.677SS.*  trans94.9107.2147.1-71.2-48.5000124.6S704 I705N663-S704 PolarHBondContact OD1-O 2.78Å; N663-I705 VanDerWaalsContact ND2-C 3.28Å; N663-I705 PolarHBondContact ND2-N 2.69Å; N663-I705 PolarHBondContact ND2-O 2.81Å; N663-I705 WeakPolarHBondContact OD1-CA 3.31Å; N663-I705 PolarHBondContact OD1-N 3.03Å
664L22.3Very low24.1Very low128 Ų128129.1 Ų129.167%0.6768%0.678SS**  81.7142.1121.2-70.5168.2000123.2
665N22.5Very low24.4Very low110 Ų110126.2 Ų126.259%0.58867%0.672SS**  trans7465.9153.1-66-32.1000120.9
666K29.1Very low24.3Very low205 Ų205127.4 Ų127.489%0.89168%0.682SS**  -139.1121.5110-65.6-171.6-177.3178.70107.1
667R22.1Very low24.3Very low210 Ų210128 Ų12879%0.79268%0.675SS**  cis69.979.75.6-155-176.4-163-162.85.1116.2
668F23.7Very low24.3Very low186 Ų186132.7 Ų132.782%0.81667%0.67SS**  trans-158.3144.6142.3-100.5-74.3000108.6
669I30.5Very low24.3Very low135 Ų135130.6 Ų130.669%0.69267%0.669SS**  trans60.5114.8156-61.6162.7000117
670C20.8Very low24.4Very low113 Ų113131.7 Ų131.776%0.76467%0.668SS**  cis62.7145.1-0.9-68.80000117.5
671P24.6Very low24.4Very low75 Ų75129.5 Ų129.549%0.48766%0.66SS.*  cis-141.6-148.26.744-22.8000113.8Q906P671-Q906 VanDerWaalsContact CG-CD 3.49Å; P671-Q906 VanDerWaalsContact CG-OE1 3.25Å
672D19.1Very low24.1Very low141 Ų141132.8 Ų132.875%0.75467%0.673SS**  trans-66.1-177.6-175.7-44.9-96000118
673S20.9Very low24.1Very low97 Ų97137 Ų13768%0.67869%0.69SS**  trans93.886.4152.5670000121.5
674T24.8Very low24.1Very low130 Ų130138.3 Ų138.380%0.79871%0.706SS**  6.8154118.159.10000119.4
675P32.9Very low24.1Very low86 Ų86138.9 Ų138.956%0.55871%0.71SS**  cis-153178.73843.5-22.9000120.2
676N23.4Very low24.1Very low120 Ų120140.7 Ų140.764%0.64272%0.715SS**  trans67.7152.1158.7-62.4-35.1000118.5
677R23.8Very low23.7Very low147 Ų147137.7 Ų137.756%0.55571%0.705SS**  cis-156.3130.1-15.1-121.9177.3175.1-173.7-7.6103.9H463H463-R677 PolarHBondContact NE2-NH2 3.45Å
678Y26.4Very low23.7Very low174 Ų174133.7 Ų133.768%0.68270%0.7SS**  -165.2167.770.3-104.3-78.7000110.9
679T23.4Very low23.7Very low120 Ų120130.7 Ų130.774%0.73670%0.702SS**  trans-115.7146.4-168.752.20000113.9
680Y24.5Very low23.3Very low172 Ų172129.4 Ų129.468%0.67570%0.695SS**  trans-143.3115135.1-119.5-78000113
681V23Very low23.7Very low102 Ų102129.4 Ų129.462%0.61870%0.697SS**  trans12.4118.2158.4-172.60000118.1K683V681-K683 HydrophobicContact CG1-CG 3.99Å
682N23.2Very low23.7Very low158 Ų158130.5 Ų130.585%0.84569%0.694SS**  trans-125122.8143.8-149.1-3.1000108.8
683K22.7Very low23.9Very low184 Ų184128.9 Ų128.980%0.869%0.693SS**  trans-93.8105.1-177.6-80.8-171.2175.8-174.20110V681V681-K683 HydrophobicContact CG1-CG 3.99Å
684S22.6Very low24.1Very low111 Ų111129 Ų12978%0.77669%0.69SS**  trans-140.971.3168.961.60000111.9
685N21.9Very low24Very low141 Ų141128.5 Ų128.575%0.75469%0.687SS**  trans-133.5139.3159.1-112.7-10.5000104.8
686Q22.3Very low23.7Very low148 Ų148132 Ų13269%0.69270%0.7SS**  cis-164.81790.3-155.4173.331.200109
687M21.8Very low23.7Very low141 Ų141131.8 Ų131.870%0.69570%0.703SS**  trans109.6100.5159.1-63.6-71.1158.800117.8
688D20.7Very low23.9Very low126 Ų126129 Ų12967%0.67472%0.719SS**  32119.5116.6-59.9-16.4000119.5
689S24.8Very low23.8Very low123 Ų123126 Ų12686%0.8672%0.719SS**  -126.2106.9124.762.80000110.3S691S689-S691 PolarHBondContact O-N 3.02Å
690I22.3Very low24Very low108 Ų108126.2 Ų126.255%0.55472%0.72SS**  trans-48.6120178-65.2156.9000111.1K692I690-K692 HydrophobicContact CG2-CB 4.18Å
691S28Very low24.1Very low114 Ų114125 Ų12580%0.79772%0.721SS**  trans-85.9125.8160.358.60000109.3S689S689-S691 PolarHBondContact O-N 3.02Å
692K25.5Very low24.1Very low97 Ų97127.2 Ų127.242%0.42272%0.724SS.*  trans-162.7114.9168.4-132.2-174.3175.3-168.80118.4V399 N400 N401 I690V399-K692 HydrophobicContact CG1-CB 4.48Å; N400-K692 WeakPolarHBondContact O-CD 3.5Å; N400-K692 WeakPolarHBondContact O-CE 3.32Å; N400-K692 PolarHBondContact O-NZ 3.37Å; N401-K692 WeakPolarHBondContact O-CE 3.4Å; N401-K692 PolarHBondContact O-NZ 3.3Å; I690-K692 HydrophobicContact CG2-CB 4.18Å
693S23.2Very low24.2Very low107 Ų107125.8 Ų125.875%0.74871%0.712SS**  trans-179.9139.5136-178.80000108.9
694T24.8Very low24.2Very low100 Ų100119.1 Ų119.161%0.61369%0.689SS**  cis-160.9148.9-20.8-73.10000106.4
695T22.6Very low24.4Very low120 Ų120119.3 Ų119.374%0.73668%0.68SS**  trans16143.5166.861.20000121.1
696I27.2Very low24.7Very low160 Ų160115.9 Ų115.982%0.82167%0.666SS**  -147151.160-78.3172.6000112.9
697T23.9Very low24.9Very low115 Ų115117.2 Ų117.271%0.70667%0.666SS**  trans-79.5137.5-179.646.90000114.7
698G27.2Very low25Very low87 Ų87117.7 Ų117.790%0.89767%0.67SS**  trans-113.670.8161.600000112
699T24.6Very low25.2Very low112 Ų112114.2 Ų114.269%0.68766%0.656SS**  trans-86.8143.7178.350.80000112.7
700V26.9Very low25.3Very low125 Ų125114.2 Ų114.276%0.75865%0.651SS**  trans172.5136.5148.9142.90000107.5
701Q26.5Very low25.4Very low146 Ų146114.9 Ų114.968%0.68265%0.651SS**  cis-145.1150-17-100.5171.6-3800105.4
702Q24.6Very low25.4Very low148 Ų148115.3 Ų115.369%0.69264%0.641SS**  50.9145.774.5-67.6-176.5-12.800113.6
703Q23.7Very low25.4Very low128 Ų128118.9 Ų118.960%0.59865%0.652SS**  cis-153.4-172.414.3-140.2160.32800111Q662Q662-Q703 WeakPolarHBondContact CG-O 3.22Å; Q662-Q703 PolarHBondContact NE2-O 3.06Å
704S22.9Very low25.6Very low45 Ų45120.8 Ų120.832%0.31565%0.648SS.*  trans56.3131.814758.50000118.8Q662 N663Q662-S704 WeakPolarHBondContact CG-O 3.2Å; Q662-S704 PolarHBondContact NE2-OG 3.49Å; Q662-S704 VanDerWaalsContact NE2-OG 3.16Å; Q662-S704 PolarHBondContact OE1-O 3.39Å; Q662-S704 PolarHBondContact OE1-OG 2.99Å; N663-S704 PolarHBondContact OD1-O 2.78Å
705I27.5Very low25.5Very low114 Ų114120.3 Ų120.359%0.58565%0.649SS**  cis63159.934.1-30155.8000107.1N663N663-I705 VanDerWaalsContact ND2-C 3.28Å; N663-I705 PolarHBondContact ND2-N 2.69Å; N663-I705 PolarHBondContact ND2-O 2.81Å; N663-I705 WeakPolarHBondContact OD1-CA 3.31Å; N663-I705 PolarHBondContact OD1-N 3.03Å
706P28.8Very low25.6Very low69 Ų69120.8 Ų120.845%0.44865%0.652SS.*  cis-156.518024.249.4-28.7000120.6
707Y24.9Very low25.4Very low177 Ų177117.9 Ų117.969%0.69465%0.646SS**  trans65.1161152.4-54.2-35.2000117S709Y707-S709 WeakPolarHBondContact CB-OG 3.48Å; Y707-S709 WeakPolarHBondContact CD1-OG 3.41Å
708L24.8Very low25.5Very low151 Ų151120 Ų12079%0.79165%0.652SS**  cis-104.1148.14.5-88.975.2000111.4
709S24.6Very low25.2Very low53 Ų53121 Ų12137%0.37164%0.644SS.*  cis64.5120.66.997.60000118.7Y707Y707-S709 WeakPolarHBondContact CB-OG 3.48Å; Y707-S709 WeakPolarHBondContact CD1-OG 3.41Å
710T27.2Very low25.3Very low122 Ų122123.8 Ų123.875%0.74865%0.653SS**  trans-130112.3130.9230000104.9
711Q23.4Very low25.2Very low122 Ų122120.9 Ų120.957%0.5765%0.648SS**  62.1135.172.8-61.1-175.739.400110.8
712H28.2Very low25.3Very low124 Ų124121 Ų12157%0.57466%0.659SS**  cis-147.2163.947.5-82.6-45000110.2
713R25.5Very low25.1Very low172 Ų172120.3 Ų120.365%0.64966%0.66SS**  cis-165.9155.43-121.2169.2171.6137.83.6112.5
714H28Very low25.3Very low146 Ų146122.2 Ų122.268%0.67667%0.673SS**  trans53.9161.8140.4-67.6-29.9000122
715S22.1Very low25.3Very low90 Ų90126.1 Ų126.163%0.62969%0.69SS**  cis179.5177.1-34.6-930000107.1
716T26Very low25.3Very low131 Ų131127.3 Ų127.380%0.80470%0.698SS**  trans67.9131.1175.473.60000115.1
717S22.5Very low25.1Very low99 Ų99129.4 Ų129.469%0.69271%0.705SS**  cis70.496.53.592.70000118.3
718L26Very low25.1Very low158 Ų158128 Ų12883%0.82771%0.705SS**  trans-164.8133136.1-12163.4000104.7
719C21.8Very low25.1Very low109 Ų109126.5 Ų126.574%0.73670%0.698SS**  cis72.887.338.2-57.50000114
720I26.2Very low25Very low171 Ų171129.7 Ų129.788%0.87771%0.711SS**  trans-174.2134.7143.5-86.9141.8000105.3
721G23.9Very low24.7Very low64 Ų64130.5 Ų130.566%0.6671%0.71SS**  cis132.6105.3-1500000114.5
722T28.1Very low24.7Very low148 Ų148132 Ų13291%0.90872%0.716SS**  trans-162.1142.2153.127.60000110.2
723N20.8Very low24.3Very low133 Ų133132 Ų13271%0.71172%0.721SS**  trans-85.4163.9160-58.5-74.7000109.2
724I29.2Very low24.1Very low168 Ų168128.8 Ų128.886%0.86273%0.725SS**  trans-149.8152.6134.2-102.5150.8000107.7
725N21.5Very low23.8Very low128 Ų128127.6 Ų127.668%0.68473%0.727SS**  trans-95.4-165.8-175.5-62.1-26.2000111.2
726N27.8Very low24Very low138 Ų138129 Ų12974%0.73873%0.732SS**  trans85.7144.9161.6-53.45.6000116.1
727N24.8Very low24Very low113 Ų113129.3 Ų129.360%0.60473%0.729SS**  cis-162.1164.1-23.4-115.614.3000110
728E24Very low24.1Very low147 Ų147129.9 Ų129.969%0.68773%0.731SS**  trans50.3126.3136.3-65.1168.2148.100122.9
729N24.8Very low23.9Very low120 Ų120125.9 Ų125.964%0.64272%0.717SS**  83.3122.6119.9-66.528.7000123.5
730D23.3Very low24.1Very low121 Ų121123.4 Ų123.465%0.64770%0.696SS**  80.3117.7117.4-57.6-15.3000124.3
731L21.9Very low23.9Very low139 Ų139120.7 Ų120.773%0.72868%0.682SS**  63.1131.2126.3-80.376.6000122.9
732H22.8Very low24.2Very low153 Ų153122.3 Ų122.371%0.70868%0.68SS**  trans72.4118.5139.7-82.9-97.7000122.7
733D20.1Very low23.9Very low125 Ų125122.9 Ų122.967%0.66868%0.677SS**  59.6102121.6-64.9-4.9000121.9
734S20Very low23.9Very low104 Ų104121.2 Ų121.273%0.72768%0.675SS**  113158.298.673.80000119.9
735V22.1Very low23.6Very low120 Ų120118 Ų11873%0.72767%0.668SS**  trans58.199.7166.5-1530000117.8
736T26.5Very low23.6Very low119 Ų119117.3 Ų117.373%0.7367%0.668SS**  -170.9133.3102.921.60000114.3
737N26.3Very low23.2Very low139 Ų139117.8 Ų117.874%0.74367%0.671SS**  trans65.1111139.5-61.4-2.8000122.7
738C24.9Very low23.1Very low110 Ų110119.7 Ų119.774%0.74368%0.679SS**  100.566.5123.6-65.40000121.1
739S21.7Very low23Very low75 Ų75119.6 Ų119.652%0.52467%0.674SS.*  63.4130.2104.9-44.60000123.1D1415S739-D1415 WeakPolarHBondContact CB-OD2 3.36Å; S739-D1415 PolarHBondContact OG-OD2 3.44Å
740I24.5Very low22.8Very low56 Ų56117.7 Ų117.729%0.28767%0.67SS.*  trans99.6101.7140.2-28.1177.7000124.5K1413 S1414I740-K1413 HydrophobicContact CB-CB 4.09Å; I740-K1413 HydrophobicContact CB-CD 3.96Å; I740-K1413 HydrophobicContact CB-CG 4.21Å; I740-K1413 HydrophobicContact CD1-CB 3.71Å; I740-K1413 HydrophobicContact CG1-CB 4.43Å; I740-K1413 HydrophobicContact CG2-CB 3.35Å; I740-K1413 HydrophobicContact CG2-CD 3.72Å; I740-K1413 HydrophobicContact CG2-CG 3.43Å; I740-K1413 VanDerWaalsContact CG2-CG 3.43Å; I740-K1413 PolarHBondContact O-NZ 3.4Å; I740-S1414 WeakPolarHBondContact CD1-O 3.32Å; I740-S1414 VanDerWaalsContact CG2-N 3.34Å; I740-S1414 VanDerWaalsContact CG2-OG 3.28Å; I740-S1414 WeakPolarHBondContact CG2-OG 3.17Å
741I22.3Very low22.7Very low115 Ų115115.5 Ų115.559%0.5966%0.661SS**  19.7-175.3122.1-12.5175.4000122.5K1413 S1414I741-K1413 WeakPolarHBondContact O-CE 3.29Å; I741-K1413 PolarHBondContact O-NZ 3.46Å; I741-S1414 WeakPolarHBondContact CD1-OG 3.39Å
742P31.8Very low22.6Very low97 Ų97112.9 Ų112.963%0.6365%0.654SS**  -133.4-161.9-116.447.2-26.9000116.3
743I21.9Very low22.7Very low161 Ų161113.4 Ų113.483%0.82666%0.66SS**  176.9161.8123.2-90.2171000111.4
744S20.8Very low22.9Very low97 Ų97110.6 Ų110.668%0.67865%0.651SS**  trans-90.3160.4-171.554.40000116
745S21.3Very low23Very low101 Ų101109.9 Ų109.971%0.70664%0.642SS**  159.6141.7101.553.70000117.1
746T21.7Very low23.1Very low114 Ų114111.4 Ų111.470%0.69965%0.645SS**  trans57.4119.7145.247.90000124.3
747D20.3Very low23Very low148 Ų148113 Ų11379%0.79165%0.649SS**  98.7153.3123.4-67.21.5000124
748I22.7Very low22.9Very low153 Ų153114.8 Ų114.879%0.78565%0.653SS**  trans87.195.7163.8-45.3-167.6000119.5
749Y20.8Very low22.9Very low144 Ų144113.6 Ų113.657%0.56565%0.651SS**  trans34.9107.9133.7-74.5-87.1000122.1L152 Q156L152-Y749 HydrophobicContact CD1-CE1 3.97Å; L152-Y749 HydrophobicContact CD2-CE1 3.95Å; L152-Y749 WeakPolarHBondContact CD2-OH 3.39Å; Q156-Y749 PolarHBondContact NE2-OH 3.34Å
750S20.7Very low23Very low81 Ų81122 Ų12257%0.56667%0.671SS**  93.6132.3113.573.70000122.5
751T21.9Very low23Very low75 Ų75123.3 Ų123.346%0.4669%0.69SS.*  trans75.6121.2141.430.80000122.4Q145Q145-T751 HydrophobicContact CB-CG2 4.38Å; Q145-T751 HydrophobicContact CG-CG2 4.04Å; Q145-T751 WeakPolarHBondContact CG-OG1 3.47Å; Q145-T751 PolarHBondContact NE2-OG1 3.22Å; Q145-T751 PolarHBondContact OE1-OG1 3.36Å
752S20.8Very low23.2Very low83 Ų83124.5 Ų124.558%0.5870%0.702SS**  66.596.6128.4-53.40000120.5
753I24.8Very low22.8Very low164 Ų164124.4 Ų124.484%0.84170%0.704SS**  trans-128.5153.7144.3-66.6-172.6000109.4
754S22.4Very low23Very low67 Ų67122.7 Ų122.747%0.46970%0.701SS.*  trans-94.5151.2-161.451.60000115.7
755T22.5Very low23.2Very low89 Ų89123.6 Ų123.655%0.54670%0.702SS.*  trans36.5119.8142.459.30000121.4
756I24Very low23.4Very low152 Ų152124.4 Ų124.478%0.77970%0.703SS**  56.7115.4127-54.3164.7000118.1
757D24.5Very low23.6Very low153 Ų153124.8 Ų124.882%0.81871%0.705SS**  -150162.3123.3-143.6-16.9000111
758E24.1Very low23.8Very low176 Ų176123.3 Ų123.382%0.82270%0.701SS**  trans-110.4166.2-168.6-80.4-164.311000116.2
759A25.5Very low24Very low85 Ų85121.9 Ų121.970%0.70270%0.7SS**  trans69.791.3148.100000121.4
760R24.4Very low24.2Very low252 Ų252122.8 Ų122.895%0.95171%0.711SS**  -128114.3116.1-86.3-178168.8166.5-4.2107.2
761A25Very low24.5Very low83 Ų83124.2 Ų124.269%0.68672%0.717SS**  cis80.185.326.500000114.9
762V25.8Very low24.8Very low140 Ų140127.4 Ų127.485%0.84874%0.736SS**  trans-127.498.6150.6174.50000106.8
763S23.7Very low25.1Very low94 Ų94128 Ų12866%0.65775%0.746SS**  trans29.7136.2150.459.80000120.2
764V25Very low25.2Very low126 Ų126127.3 Ų127.376%0.76474%0.744SS**  cis-145.7111.443.7169.60000111.9
765T26.2Very low25.4Very low115 Ų115131.4 Ų131.471%0.70676%0.759SS**  trans26.2151.8133.353.50000122
766T25.4Very low25.7Very low119 Ų119133.7 Ų133.773%0.7377%0.767SS**  cis-167.9139.59.814.50000109.5
767V25.3Very low25.8Very low122 Ų122133.1 Ų133.174%0.73977%0.77SS**  80.4108.782.1176.30000117.3
768T24.5Very low25.7Very low116 Ų116131.3 Ų131.371%0.71277%0.765SS**  trans48.1124.4130.8-31.30000124.5
769T26.4Very low25.7Very low123 Ų123129.2 Ų129.276%0.75577%0.765SS**  trans49.2116.3151.357.40000124.8
770M25.7Very low25.7Very low164 Ų164130.8 Ų130.881%0.80877%0.766SS**  trans55102131.6-64-163.471.900123.2
771T27.6Very low25.8Very low110 Ų110126.6 Ų126.668%0.67576%0.759SS**  trans68.5110.4134.148.70000122.9
772T27.7Very low25.8Very low142 Ų142128 Ų12887%0.87176%0.759SS**  trans69.9138.2145.256.50000119.1
773A27.6Very low25.8Very low95 Ų95125.7 Ų125.779%0.78575%0.749SS**  cis-145.8-167.17.800000113.9
774N26.4Very low25.9Very low150 Ų150127 Ų12780%0.80275%0.753SS**  trans-103.5-165.1-159.6-61.5-30000116.3
775I26.2Very low26.1Very low153 Ų153128.1 Ų128.179%0.78575%0.752SS**  trans95.2143.8162.2-44.6150000111.1
776I28.6Very low26.2Very low138 Ų138129.2 Ų129.271%0.70875%0.753SS**  cis-148.9138.844.6-55.7150.6000114.2T778I776-T778 HydrophobicContact CG2-CG2 4.32Å
777T25.9Very low26.1Very low139 Ų139127.7 Ų127.785%0.85375%0.748SS**  trans-141.2134138.1-32.60000108.9
778T23.3Very low26.1Very low115 Ų115127 Ų12771%0.70674%0.744SS**  trans-148.9134.6-177.247.30000113.3I776I776-T778 HydrophobicContact CG2-CG2 4.32Å
779T23.2Very low26Very low133 Ų133128 Ų12882%0.81675%0.745SS**  trans-157.1128.4161.5-15.80000105.1
780T26.1Very low25.8Very low118 Ų118127.7 Ų127.772%0.72474%0.743SS**  -161165.253.939.70000111.5
781M25.3Very low25.6Very low164 Ų164124.6 Ų124.681%0.80874%0.738SS**  trans45.7127151-57-81.1116.800119.2
782T25.8Very low25.3Very low112 Ų112124.5 Ų124.569%0.68774%0.741SS**  cis-162.6134.710.6-7.10000112.4
783S25.9Very low25.1Very low92 Ų92122.6 Ų122.664%0.64373%0.734SS**  trans51.9133.214160.20000124.4
784T26.2Very low24.8Very low121 Ų121123 Ų12374%0.74273%0.731SS**  trans72.1139.6142.551.60000120.4
785M28.2Very low24.6Very low149 Ų149122.6 Ų122.673%0.73473%0.727SS**  cis-155.1151.4-3.4-104.6-131.4176.600112.8
786N28.7Very low24.6Very low138 Ų138122 Ų12274%0.73873%0.725SS**  trans62.5154.7151.9-61.5-11.5000121.7
787S23.9Very low24.3Very low88 Ų88122.4 Ų122.462%0.61573%0.729SS**  cis-169.2161.9-31.161.30000112
788T24.6Very low24.3Very low108 Ų108119.1 Ų119.166%0.66372%0.723SS**  trans62.6113.1147.148.10000123.1
789N23.2Very low24.3Very low135 Ų135124.6 Ų124.672%0.72273%0.73SS**  101.8113.1114.3-708.5000124.5
790T22.7Very low24.3Very low117 Ų117123.7 Ų123.772%0.71872%0.72SS**  69.3115.912465.10000124.2
791S20.9Very low24.1Very low100 Ų100124.1 Ų124.170%0.69972%0.718SS**  70.8124.3123.2720000123.7
792S21.2Very low24Very low107 Ų107120.6 Ų120.675%0.74871%0.71SS**  70.9109.5128.4-56.70000122.2
793S22.9Very low23.8Very low103 Ų103122.2 Ų122.272%0.7271%0.714SS**  trans60.8111.4132.863.10000121.9
794S22.5Very low23.7Very low103 Ų103124.5 Ų124.572%0.7272%0.724SS**  99.5149.4125.284.60000120.9
795I22.2Very low23.7Very low142 Ų142123.2 Ų123.273%0.72872%0.72SS**  trans69.285.5158-59.9165.8000117.3
796L24.5Very low23.6Very low140 Ų140126.1 Ų126.173%0.73372%0.724SS**  53140.8110.7-73.6160.1000122
797N24.1Very low23.6Very low147 Ų147124.4 Ų124.479%0.78672%0.723SS**  trans63.8100.5150.3-60.4-19.6000116.7
798G25.6Very low23.7Very low70 Ų70125.8 Ų125.872%0.72273%0.728SS**  cis116.9-132.634.100000108.5
799R22.5Very low23.7Very low229 Ų229127.2 Ų127.286%0.86473%0.73SS**  trans76.7144.7179.5-61.8-172.5156.6159.7-5.1114.8
800N23.1Very low23.6Very low115 Ų115126.6 Ų126.662%0.61573%0.731SS**  cis-161.9166.1-9.6-118.36000114.2
801N23.1Very low23.6Very low126 Ų126126.6 Ų126.667%0.67474%0.736SS**  trans66105.3139.9-68.86.8000121.8
802S22.6Very low24.2Very low91 Ų91126.7 Ų126.764%0.63673%0.734SS**  87.9121.6105.878.40000121.7
803N21.6Very low24.2Very low146 Ų146127 Ų12778%0.78173%0.732SS**  78.4125.6128.4-66.71.6000121
804V23.7Very low24.2Very low139 Ų139129.1 Ų129.184%0.84273%0.733SS**  trans65116146.6179.70000114.3
805S25.2Very low24.3Very low94 Ų94129.9 Ų129.966%0.65773%0.734SS**  cis-160.4165.229.653.40000110.5
806Y27.3Very low24.3Very low211 Ų211128.6 Ų128.683%0.82773%0.733SS**  cis-144.9151.513.3-107.2-80.8000109.5
807S27.4Very low24.2Very low101 Ų101128.7 Ų128.771%0.70673%0.733SS**  trans59.6148.2153.159.70000121.5
808T26.1Very low24.2Very low118 Ų118128.2 Ų128.272%0.72473%0.729SS**  cis-169.6150.4-24.829.20000109.7
809I26.3Very low24Very low138 Ų138129.9 Ų129.971%0.70873%0.725SS**  trans44.7119135.9-56.2168.2000117.9
810T21.2Very low24.4Very low122 Ų122123.3 Ų123.375%0.74871%0.712SS**  cis71.980.746.576.50000118.3
811S21.6Very low24.3Very low117 Ų117122.1 Ų122.182%0.81871%0.706SS**  trans63.8179.3154.5-96.90000117.8
812P34.1Very low24.4Very low102 Ų102120.3 Ų120.366%0.66270%0.695SS**  cis-133.2-155.2-35.635.9-16.4000112
813T21.3Very low24.5Very low114 Ų114121 Ų12170%0.69969%0.692SS**  trans68.2109.8158.232.90000118.7
814I22.4Very low24.8Very low146 Ų146122.2 Ų122.275%0.74970%0.696SS**  72.3114.482.6-66.5175.3000115.1
815T23.6Very low24.8Very low119 Ų119122.3 Ų122.373%0.7369%0.689SS**  trans165.3103.1130.5-65.10000108.2
816T22.2Very low24.8Very low116 Ų116125 Ų12571%0.71270%0.696SS**  71149.284.2-36.60000115.1
817I23.5Very low24.7Very low142 Ų142119.9 Ų119.973%0.72869%0.691SS**  trans80.996171.1-50.9-178.2000114
818I23.2Very low24.7Very low136 Ų136119.5 Ų119.570%0.69769%0.689SS**  909674-69.3158.6000114
819T22.7Very low24.8Very low106 Ų106118.4 Ų118.465%0.6569%0.686SS**  trans57.4176.8156.761.90000118.2
820P29.5Very low24.9Very low90 Ų90117.2 Ų117.258%0.58469%0.685SS**  cis-117.9-169.3-25.822.11.3000112.1P832P820-P832 HydrophobicContact CB-CB 3.52Å; P820-P832 HydrophobicContact CB-CG 3.41Å; P820-P832 VanDerWaalsContact CB-CG 3.41Å; P820-P832 HydrophobicContact CG-CG 4.11Å
821D21.9Very low25Very low91 Ų91116.1 Ų116.149%0.48767%0.674SS.*  trans-68.4152.5175.7-39.6-108.1000114.6L831 P832D821-L831 HydrophobicContact CB-CB 4Å; D821-L831 HydrophobicContact CB-CD1 3.67Å; D821-L831 HydrophobicContact CB-CG 4.26Å; D821-P832 WeakPolarHBondContact OD2-CB 3.4Å
822I24.9Very low25.3Very low88 Ų88113.7 Ų113.745%0.45166%0.656SS.*  170.8129.1119.3-88.7161.5000113.8V830 L831I822-V830 HydrophobicContact CD1-CB 4.41Å; I822-V830 HydrophobicContact CD1-CG2 3.8Å; I822-L831 HydrophobicContact CG1-CD1 4.02Å
823N24.5Very low24.8Very low105 Ų105112.9 Ų112.956%0.56165%0.652SS**  trans11139.3149.9-40.4-23.7000122
824I28Very low25.1Very low172 Ų172112.4 Ų112.488%0.88265%0.654SS**SBendtrans-83.790130.8-59.9173.3000105.3
825M24Very low25.1Very low140 Ų140110.5 Ų110.569%0.6965%0.653SS**SBend50.1113.392.2-72.1-154.316800112.3
826N25.7Very low25.2Very low150 Ų150111.2 Ų111.280%0.80266%0.662SS**SBendcis-124152.119.3-62.4-45.7000110.4
827S25.5Very low25.4Very low104 Ų104113.6 Ų113.673%0.72767%0.668SS**SBendcis-169.7144.7-1.547.20000106.6
828S26.9Very low25.4Very low93 Ų93115.1 Ų115.165%0.6567%0.672SS**  cis-149.4158.714.9-53.90000111.3
829S28.3Very low26.2Very low95 Ų95112.4 Ų112.466%0.66466%0.663SS**  trans32.8142.7141.862.80000123.1
830V28.7Very low26.3Very low114 Ų114113.3 Ų113.369%0.69167%0.669SS**  cis-163.1152.6-7.2128.70000106.9I822I822-V830 HydrophobicContact CD1-CB 4.41Å; I822-V830 HydrophobicContact CD1-CG2 3.8Å
831L22.6Very low26.1Very low98 Ų98113.3 Ų113.351%0.51367%0.671SS.*  trans-109.3-164.1179.3-74.4124.4000109.1D821 I822D821-L831 HydrophobicContact CB-CB 4Å; D821-L831 HydrophobicContact CB-CD1 3.67Å; D821-L831 HydrophobicContact CB-CG 4.26Å; I822-L831 HydrophobicContact CG1-CD1 4.02Å
832P27.7Very low26.1Very low67 Ų67116.1 Ų116.144%0.43569%0.685SS.*  cis-149.8-165.79.544.8-22.6000117.7P820 D821P820-P832 HydrophobicContact CB-CB 3.52Å; P820-P832 HydrophobicContact CB-CG 3.41Å; P820-P832 VanDerWaalsContact CB-CG 3.41Å; P820-P832 HydrophobicContact CG-CG 4.11Å; D821-P832 WeakPolarHBondContact OD2-CB 3.4Å
833S24Very low26.1Very low84 Ų84118.7 Ų118.759%0.58770%0.699SS**  trans82.4101.7145.168.80000122.8
834S26.4Very low25.9Very low105 Ų105117.7 Ų117.773%0.73470%0.701SS**  trans-173.9106.1135.254.50000108
835S24Very low25.7Very low105 Ų105118.4 Ų118.473%0.73470%0.698SS**  64.6125.482.7730000114.5
836C23.9Very low25.6Very low135 Ų135115.1 Ų115.191%0.91269%0.689SS**SBendtrans62.9111.4-159.1-95.80000112.5
837I27.3Very low25.7Very low165 Ų165117.1 Ų117.185%0.84670%0.696SS**  trans-115.9114.5-144.8-54.6177.9000112.4
838Q23.7Very low25.7Very low174 Ų174118.8 Ų118.881%0.81370%0.695SS**  trans-120.3177160.7-110.9-143.8-17.500107.1
839P40Very low25.5Very low79 Ų79121 Ų12151%0.51370%0.695SS.*  cis-135.6-157.7-4837.1-18.4000109.7
840T24.9Very low25.2Very low125 Ų125125.3 Ų125.377%0.76770%0.697SS**  trans63.5155.8152.946.40000118.7
841S24.7Very low25.1Very low91 Ų91129.6 Ų129.664%0.63671%0.707SS**  cis-175.2155.7-3350.70000107.2
842L22.6Very low25.2Very low149 Ų149128.8 Ų128.878%0.7871%0.709SS**  162.2165.1125.5-91.9171.2000113.8
843L24.5Very low25.3Very low143 Ų143130 Ų13075%0.74972%0.719SS**  trans5989.7156.1-68.8160.9000118
844S20.7Very low25.5Very low84 Ų84132.8 Ų132.859%0.58773%0.727SS**  12.8135.2118.458.60000118.6
845F23.3Very low25.3Very low186 Ų186135.4 Ų135.482%0.81673%0.73SS**  -162.1150.994.3-121.4-95.1000113.3
846S23.1Very low25.5Very low72 Ų72133.7 Ų133.750%0.50373%0.729SS.*  trans26.7121.9156.258.50000122.3
847M26.9Very low25.5Very low192 Ų192133.3 Ų133.395%0.94672%0.718SS**  -96.4126.798.9-68.6-172.8-176.800106.4
848L25.3Very low25.2Very low138 Ų138133.8 Ų133.872%0.72371%0.714SS**  55.185.950.1-70.1164.3000110.9
849H22.7Very low25.4Very low139 Ų139131.9 Ų131.964%0.64471%0.709SS**  cis75.2122.731.3-162.543000114.6
850R23Very low24.6Very low187 Ų187133.2 Ų133.271%0.70672%0.72SS**  trans73.8146.3175.1-62.6174.6-157.8-149.20114.5
851F26.4Very low24.7Very low204 Ų204134.4 Ų134.490%0.89572%0.72SS**  cis-91.3146.824.2-67.7-103.3000114.5
852S24.5Very low24.6Very low80 Ų80135.9 Ų135.956%0.55972%0.721SS**  cis103.715016.3-169.10000114.7
853S29.6Very low24.7Very low94 Ų94135 Ų13566%0.65772%0.717SS**  trans78.2133.1169.7-63.40000117.1
854N27.7Very low24.7Very low141 Ų141133.6 Ų133.675%0.75471%0.71SS**  cis-140.2150.7-8.2-83.7-25.2000108.3
855M23.5Very low25Very low160 Ų160135.6 Ų135.679%0.78871%0.714SS**  cis79133.344.3-76.5-70.6-83.900115.4L857M855-L857 HydrophobicContact CE-CD1 4.12Å; M855-L857 HydrophobicContact SD-CD1 4.26Å
856G26.8Very low25.2Very low70 Ų70133 Ų13372%0.72271%0.709SS**  trans104.190.3-171.600000111.6
857L24.2Very low25.4Very low127 Ų127135 Ų13567%0.66571%0.714SS**  cis77.4137.319.7-116.1-173.8000116.3M855M855-L857 HydrophobicContact CE-CD1 4.12Å; M855-L857 HydrophobicContact SD-CD1 4.26Å
858F22Very low25.2Very low174 Ų174131.5 Ų131.576%0.76370%0.7SS**  trans87.3143.3166.7-84.6-74.8000122.5
859N26.3Very low25.3Very low135 Ų135131.1 Ų131.172%0.72270%0.698SS**  trans66.1121.1170.9-59.2-18.3000117.2
860S24.2Very low25.3Very low106 Ų106131.1 Ų131.174%0.74170%0.703SS**  cis75.2161.528.4-155.70000114.6
861I25.9Very low25.5Very low150 Ų150128.9 Ų128.977%0.76971%0.71SS**  trans75.798.1-154.3-51.5167.1000108.9
862N23.5Very low25.3Very low122 Ų122123.8 Ų123.865%0.65270%0.699SS**  cis61.198.724.7-172.686.4000114.5
863N24.8Very low25.2Very low131 Ų131126.6 Ų126.670%0.70171%0.708SS**  trans172.5147.2149.6-93.1-5.4000111.4
864N25.2Very low25.3Very low113 Ų113129.4 Ų129.460%0.60472%0.715SS**  cis-165.5167.5-24.3-135.52.2000113.4
865N26.4Very low25.3Very low126 Ų126130.3 Ų130.367%0.67472%0.72SS**  trans71.9129.4160.5-53.8-16.5000116.5
866N26.6Very low26Very low131 Ų131132.3 Ų132.370%0.70172%0.724SS**  cis-159.8179.54.2-132.13.2000109.5
867N27.5Very low26.9Very low115 Ų115132.8 Ų132.862%0.61571%0.713SS**  cis-156.2165.214.3-155.67.9000113.5
868N24.5Very low28.2Very low119 Ų119132.8 Ų132.864%0.63671%0.714SS**  trans-22146.7151.9-62.1-6.9000117.3
869N25.5Very low30.3Very low130 Ų130126.6 Ų126.670%0.69569%0.686SS**  cis-160.716119.7-101.5-20.5000112.7
870N23.2Very low31.9Very low139 Ų139122.5 Ų122.574%0.74368%0.676SS**  trans21.1141.5148-51.8-15.9000120.5
871T27.6Very low34.3Very low139 Ų139121.2 Ų121.285%0.85366%0.66SS**  cis-159.7-170.140.4-28.70000111.7
872C21.7Very low37.1Very low98 Ų98116.3 Ų116.366%0.66264%0.635SS**  trans-105.4-178.9-15862.40000117.7
873N23.8Very low40.2Very low139 Ų139110.9 Ų110.974%0.74361%0.607SS**  trans88.1137.7175-51.9-12.2000114.9
874N30.4Very low43.3Very low153 Ų153104.7 Ų104.782%0.81857%0.573SS**  cis-136.4153.33.2-82.8-48.6000111.4
875D28.6Very low46.2Very low159 Ų159103.1 Ų103.185%0.8556%0.559SS**  trans-79.5141.4-179.4-59-68.6000115.1
876K37.9Very low49.1Very low203 Ų20397.1 Ų97.188%0.88353%0.527SS*.  trans-120.6116.3155.7-80.4-172.2176.1-175.70109D878K876-D878 PolarHBondContact O-N 3.03Å
877T45.1Very low51.9Low79 Ų7992.3 Ų92.349%0.48550%0.501SS..  trans-75.9102.4166.356.40000108.8R527R527-T877 PolarHBondContact NH1-OG1 3.39Å
878D52.5Low54.5Low128 Ų12888.6 Ų88.668%0.68448%0.478SS*.  trans-81.7122.2173.8-170.8-14.9000109.6K876 G880K876-D878 PolarHBondContact O-N 3.03Å; D878-G880 VanDerWaalsContact C-N 3.29Å; D878-G880 PolarHBondContact OD1-N 3.44Å
879Y65.9Low57.1Low44 Ų4488.4 Ų88.417%0.17347%0.473CS..  trans-87.87.5178.5-68.4-66.3000112.9V505 E529 N881 L882 D883 V901V505-Y879 HydrophobicContact CG2-CE2 4.05Å; E529-Y879 VanDerWaalsContact OE1-CE1 3.28Å; E529-Y879 WeakPolarHBondContact OE1-CE1 3.49Å; E529-Y879 PolarHBondContact OE1-OH 3.37Å; Y879-N881 PolarHBondContact O-N 3.15Å; Y879-L882 WeakPolarHBondContact O-CB 3.46Å; Y879-L882 WeakPolarHBondContact O-CG 3.4Å; Y879-L882 PolarHBondContact O-N 3.04Å; Y879-D883 HydrophobicContact CD2-CB 4.36Å; Y879-V901 HydrophobicContact CD1-CG1 4.49Å; Y879-V901 HydrophobicContact CD1-CG2 4.39Å; Y879-V901 HydrophobicContact CG-CG2 4.4Å
880G59.6Low59.3Low49 Ų4983.6 Ų83.651%0.50545%0.45SS..THydrogen-bonded Turntrans67.439170.600000113.6D878 L882D878-G880 VanDerWaalsContact C-N 3.29Å; D878-G880 PolarHBondContact OD1-N 3.44Å; G880-L882 PolarHBondContact O-N 3.38Å; G880-L882 VanDerWaalsContact O-N 3.14Å
881N75.1Confident61.1Low79 Ų7984.5 Ų84.542%0.42245%0.447SS..THydrogen-bonded Turntrans5814.5-173.5-64.23.1000115.2Y879 D883 L905 K908Y879-N881 PolarHBondContact O-N 3.15Å; N881-D883 VanDerWaalsContact C-N 3.34Å; N881-L905 HydrophobicContact CB-CD1 4.46Å; N881-K908 WeakPolarHBondContact O-CD 3.38Å; N881-K908 WeakPolarHBondContact O-CE 3.43Å; N881-K908 PolarHBondContact O-NZ 2.87Å
882L84.3Confident62.6Low46 Ų4686.2 Ų86.224%0.24145%0.451CS..  trans-81.1-13.7175.9-60.7-178.6000113.6Y879 G880 V901 A902 T904 L905Y879-L882 WeakPolarHBondContact O-CB 3.46Å; Y879-L882 WeakPolarHBondContact O-CG 3.4Å; Y879-L882 PolarHBondContact O-N 3.04Å; G880-L882 PolarHBondContact O-N 3.38Å; G880-L882 VanDerWaalsContact O-N 3.14Å; L882-V901 HydrophobicContact CB-CG1 3.7Å; L882-A902 PolarHBondContact O-N 2.87Å; L882-T904 VanDerWaalsContact CD2-C 3.47Å; L882-L905 HydrophobicContact CD2-CB 4.12Å; L882-L905 HydrophobicContact CD2-CD1 4.26Å; L882-L905 VanDerWaalsContact CD2-N 3.27Å
883D87.3Confident64.5Low9 Ų983.8 Ų83.85%0.04844%0.442CS..EExtended strand (participates in β ladder)trans-86.8149.4178.963.5-54.6000112.5T572 Y879 N881 L900 V901 K908T572-D883 WeakPolarHBondContact CB-OD2 3.35Å; T572-D883 WeakPolarHBondContact CG2-OD2 3.1Å; T572-D883 PolarHBondContact OG1-OD2 2.96Å; Y879-D883 HydrophobicContact CD2-CB 4.36Å; N881-D883 VanDerWaalsContact C-N 3.34Å; D883-L900 CarbonylContact C-O 3.6Å; D883-L900 VanDerWaalsContact CA-O 3.29Å; D883-L900 WeakPolarHBondContact CA-O 3.47Å; D883-V901 HydrophobicContact CB-CG1 4.44Å; D883-V901 HydrophobicContact CB-CG2 4.03Å; D883-K908 WeakPolarHBondContact O-CE 3.2Å; D883-K908 PolarHBondContact O-NZ 3.01Å
884F90Very high66.4Low0 Ų084.7 Ų84.70%044%0.442CS..EExtended strand (participates in β ladder)trans-146.6156.7172.361.1-81.7000109.6L502 L568 L900 K908 W911 I915L502-F884 HydrophobicContact CD1-CZ 3.94Å; L502-F884 HydrophobicContact CD2-CE1 4.46Å; L568-F884 HydrophobicContact CD1-CD2 3.89Å; F884-L900 HydrophobicContact CD1-CB 4.45Å; F884-L900 WeakPolarHBondContact CD1-O 3.32Å; F884-L900 HydrophobicContact CD2-CB 4.44Å; F884-L900 HydrophobicContact CE1-CB 4Å; F884-L900 HydrophobicContact CE2-CB 4Å; F884-L900 HydrophobicContact CE2-CD1 3.95Å; F884-L900 HydrophobicContact CZ-CB 3.77Å; F884-L900 HydrophobicContact CZ-CD1 4.11Å; F884-L900 PolarHBondContact N-O 3.05Å; F884-L900 PolarHBondContact O-N 2.88Å; F884-K908 HydrophobicContact CD1-CG 4.16Å; F884-W911 HydrophobicContact CE1-CB 4.49Å; F884-W911 HydrophobicContact CZ-CB 4.07Å; F884-I915 HydrophobicContact CE2-CD1 4.21Å
885R87.3Confident68.5Low80 Ų8081.5 Ų81.530%0.30243%0.429SS..EExtended strand (participates in β ladder)trans-122.1126.9-171.8172.1179.9167.8-177.9-6.4110.7V569 T572 I887 I898 W899V569-R885 HydrophobicContact CB-CB 4.24Å; V569-R885 PolarHBondContact N-O 3.26Å; V569-R885 PolarHBondContact O-N 3.39Å; T572-R885 HydrophobicContact CG2-CB 4.26Å; R885-I887 HydrophobicContact CG-CG1 4.27Å; R885-I898 WeakPolarHBondContact CA-O 3.46Å; R885-W899 HydrophobicContact CB-CD2 4.49Å
886L86.9Confident70.9Confident0 Ų076.8 Ų76.80%041%0.407CS..EExtended strand (participates in β ladder)trans-97.1131.4164.8-70.2166.2000108.6L541 L568 S897 I898 L900 I915L541-L886 HydrophobicContact CD2-CD1 3.49Å; L541-L886 VanDerWaalsContact CD2-CD1 3.49Å; L568-L886 HydrophobicContact CB-CD2 4.31Å; L568-L886 HydrophobicContact CD1-CD2 3.86Å; L568-L886 HydrophobicContact CD1-CG 4.46Å; L886-S897 WeakPolarHBondContact O-CA 3.45Å; L886-I898 HydrophobicContact CB-CB 4.43Å; L886-I898 PolarHBondContact N-O 3.14Å; L886-I898 PolarHBondContact O-N 3.2Å; L886-L900 HydrophobicContact CD1-CD1 3.99Å; L886-I915 HydrophobicContact CD2-CG2 4.19Å
887I84.8Confident72.9Confident31 Ų3170 Ų7016%0.15939%0.385CS..EExtended strand (participates in β ladder)trans-104.6121.9167.6-57173.9000106.3C566 T567 V569 R885 E889 P895C566-I887 VanDerWaalsContact CA-O 3.28Å; C566-I887 WeakPolarHBondContact CA-O 3.47Å; T567-I887 PolarHBondContact N-O 3.15Å; T567-I887 PolarHBondContact O-N 2.96Å; V569-I887 HydrophobicContact CG2-CD1 4.12Å; R885-I887 HydrophobicContact CG-CG1 4.27Å; I887-E889 HydrophobicContact CG2-CG 4.26Å; I887-P895 HydrophobicContact CG2-CB 4.42Å
888W82.9Confident74.9Confident36 Ų3666.5 Ų66.514%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-115.1125.9178.9174.846.8000110.4N557 I561 E565 P890 T896N557-W888 WeakPolarHBondContact O-CZ3 3.44Å; I561-W888 HydrophobicContact CG2-CB 4.39Å; I561-W888 HydrophobicContact CG2-CD2 4.36Å; I561-W888 HydrophobicContact CG2-CG 4.03Å; E565-W888 WeakPolarHBondContact O-CA 3.41Å; E565-W888 PolarHBondContact OE2-NE1 3.08Å; W888-P890 HydrophobicContact CD2-CG 4.33Å; W888-P890 HydrophobicContact CE3-CG 4.49Å; W888-P890 HydrophobicContact CH2-CB 4.28Å; W888-P890 HydrophobicContact CH2-CG 4.27Å; W888-P890 HydrophobicContact CZ2-CB 3.73Å; W888-P890 HydrophobicContact CZ2-CG 4.09Å; W888-P890 HydrophobicContact CZ3-CG 4.46Å; W888-P890 VanDerWaalsContact O-CD 3.28Å; W888-P890 WeakPolarHBondContact O-CD 3.3Å; W888-T896 PolarHBondContact N-O 3.4Å; W888-T896 PolarHBondContact O-N 2.95Å
889E79.6Confident76.5Confident115 Ų11563.6 Ų63.654%0.53734%0.343SS..  trans-117.977.5-176.1-56-154.9155.300111.1E565 I887 K891 P895E565-E889 PolarHBondContact O-N 3.13Å; I887-E889 HydrophobicContact CG2-CG 4.26Å; E889-K891 PolarHBondContact O-N 2.95Å; E889-P895 HydrophobicContact CG-CB 3.97Å; E889-P895 WeakPolarHBondContact OE1-CB 3.47Å
890P70Confident77.6Confident30 Ų3061.6 Ų61.620%0.19534%0.335CS..  trans-63.5134.2177.325.3-32.5000110.6W888 N892 G893W888-P890 HydrophobicContact CD2-CG 4.33Å; W888-P890 HydrophobicContact CE3-CG 4.49Å; W888-P890 HydrophobicContact CH2-CB 4.28Å; W888-P890 HydrophobicContact CH2-CG 4.27Å; W888-P890 HydrophobicContact CZ2-CB 3.73Å; W888-P890 HydrophobicContact CZ2-CG 4.09Å; W888-P890 HydrophobicContact CZ3-CG 4.46Å; W888-P890 VanDerWaalsContact O-CD 3.28Å; W888-P890 WeakPolarHBondContact O-CD 3.3Å; P890-N892 PolarHBondContact O-N 3.17Å; P890-G893 PolarHBondContact O-N 3.47Å
891K62.8Low78.9Confident157 Ų15759.7 Ų59.768%0.68331%0.313SS*.THydrogen-bonded Turntrans-54-6.1-171.6-70.4174.8-179.386.20117.7E565 E889E565-K891 WeakPolarHBondContact OE1-CG 3.46Å; E565-K891 IonicContact OE1-NZ 3.4Å; E565-K891 PolarHBondContact OE1-NZ 3.05Å; E889-K891 PolarHBondContact O-N 2.95Å
892N57.9Low79.6Confident175 Ų17556.2 Ų56.294%0.93630%0.295SS*.THydrogen-bonded Turntrans-136.929175.2-75.6-50.7000112.5P890P890-N892 PolarHBondContact O-N 3.17Å
893G62.2Low79.6Confident47 Ų4758.1 Ų58.149%0.48531%0.312SS..SBendtrans-144.2172.2-17700000114P890P890-G893 PolarHBondContact O-N 3.47Å
894Q64.4Low79.6Confident159 Ų15960.7 Ų60.774%0.74333%0.329SS*.  trans-79.5147.2174.7-76.4-178.1-39.800111.2T896Q894-T896 PolarHBondContact O-N 3.04Å; Q894-T896 PolarHBondContact O-OG1 3.17Å; Q894-T896 VanDerWaalsContact O-OG1 3.14Å
895P74.1Confident79.2Confident85 Ų8565.2 Ų65.255%0.55235%0.353SS*.  trans-57.3121.4177.523.9-34.8000110.9I887 E889I887-P895 HydrophobicContact CG2-CB 4.42Å; E889-P895 HydrophobicContact CG-CB 3.97Å; E889-P895 WeakPolarHBondContact OE1-CB 3.47Å
896T78.6Confident79.1Confident61 Ų6166.2 Ų66.237%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-110.5114.7-175-62.30000109.4W888 Q894 I898W888-T896 PolarHBondContact N-O 3.4Å; W888-T896 PolarHBondContact O-N 2.95Å; Q894-T896 PolarHBondContact O-N 3.04Å; Q894-T896 PolarHBondContact O-OG1 3.17Å; Q894-T896 VanDerWaalsContact O-OG1 3.14Å; T896-I898 HydrophobicContact CG2-CG1 4.39Å
897S80.9Confident79Confident60 Ų6069.1 Ų69.142%0.4237%0.374SS..EExtended strand (participates in β ladder)trans-85.7125.9175.350.40000111.4L886L886-S897 WeakPolarHBondContact O-CA 3.45Å
898I85.4Confident79.2Confident6 Ų668.5 Ų68.53%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-114.3117178.9-57174.5000107.3I543 C558 I561 R885 L886 T896 L900I543-I898 HydrophobicContact CD1-CG2 4.06Å; C558-I898 HydrophobicContact CB-CD1 3.82Å; I561-I898 HydrophobicContact CD1-CD1 3.51Å; I561-I898 HydrophobicContact CG1-CD1 4.14Å; R885-I898 WeakPolarHBondContact CA-O 3.46Å; L886-I898 HydrophobicContact CB-CB 4.43Å; L886-I898 PolarHBondContact N-O 3.14Å; L886-I898 PolarHBondContact O-N 3.2Å; T896-I898 HydrophobicContact CG2-CG1 4.39Å; I898-L900 HydrophobicContact CG2-CD2 4.21Å; I898-L900 HydrophobicContact CG2-CG 4.19Å
899W86Confident79.4Confident67 Ų6769.7 Ų69.725%0.25439%0.387SS..EExtended strand (participates in β ladder)trans-98.8125.1179.2-70.171.2000109.3Q504 V505 T572 R885Q504-W899 WeakPolarHBondContact CA-O 3.41Å; V505-W899 HydrophobicContact CB-CB 4.01Å; V505-W899 PolarHBondContact N-O 3.28Å; T572-W899 HydrophobicContact CG2-CE3 4.11Å; T572-W899 HydrophobicContact CG2-CH2 3.96Å; T572-W899 HydrophobicContact CG2-CZ3 3.5Å; T572-W899 VanDerWaalsContact CG2-CZ3 3.5Å; R885-W899 HydrophobicContact CB-CD2 4.49Å
900L89.4Confident79.7Confident1 Ų165.4 Ų65.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-125.5140.1-178.5-63.3175.1000109.6L502 I503 Q504 I543 D883 F884 L886 I898L502-L900 HydrophobicContact CD1-CB 4.46Å; L502-L900 HydrophobicContact CD1-CD1 4.08Å; I503-L900 CarbonylContact O-C 3.43Å; I503-L900 WeakPolarHBondContact O-CA 3.34Å; Q504-L900 HydrophobicContact CB-CD2 4.13Å; Q504-L900 HydrophobicContact CG-CD2 4.38Å; I543-L900 HydrophobicContact CD1-CD2 4.41Å; D883-L900 CarbonylContact C-O 3.6Å; D883-L900 VanDerWaalsContact CA-O 3.29Å; D883-L900 WeakPolarHBondContact CA-O 3.47Å; F884-L900 HydrophobicContact CD1-CB 4.45Å; F884-L900 WeakPolarHBondContact CD1-O 3.32Å; F884-L900 HydrophobicContact CD2-CB 4.44Å; F884-L900 HydrophobicContact CE1-CB 4Å; F884-L900 HydrophobicContact CE2-CB 4Å; F884-L900 HydrophobicContact CE2-CD1 3.95Å; F884-L900 HydrophobicContact CZ-CB 3.77Å; F884-L900 HydrophobicContact CZ-CD1 4.11Å; F884-L900 PolarHBondContact N-O 3.05Å; F884-L900 PolarHBondContact O-N 2.88Å; L886-L900 HydrophobicContact CD1-CD1 3.99Å; I898-L900 HydrophobicContact CG2-CD2 4.21Å; I898-L900 HydrophobicContact CG2-CG 4.19Å
901V88Confident80.8Confident10 Ų1064.1 Ų64.16%0.06136%0.363CS..EExtended strand (participates in β ladder)trans-120.3128.5176.2-161.40000109I503 V505 Y879 L882 D883I503-V901 HydrophobicContact CB-CB 4.24Å; I503-V901 PolarHBondContact N-O 3.3Å; I503-V901 PolarHBondContact O-N 2.68Å; V505-V901 HydrophobicContact CG2-CG2 3.84Å; Y879-V901 HydrophobicContact CD1-CG1 4.49Å; Y879-V901 HydrophobicContact CD1-CG2 4.39Å; Y879-V901 HydrophobicContact CG-CG2 4.4Å; L882-V901 HydrophobicContact CB-CG1 3.7Å; D883-V901 HydrophobicContact CB-CG1 4.44Å; D883-V901 HydrophobicContact CB-CG2 4.03Å
902A88.6Confident82.1Confident5 Ų556.7 Ų56.74%0.04133%0.331CS..  trans-83.9159.7174.200000111.5L502 L882 T904 E907 K908L502-A902 HydrophobicContact CD2-CB 4.06Å; L882-A902 PolarHBondContact O-N 2.87Å; A902-T904 VanDerWaalsContact C-N 3.33Å; A902-E907 HydrophobicContact CB-CB 3.91Å; A902-K908 HydrophobicContact CB-CB 3.94Å
903S84.3Confident83.5Confident86 Ų8651.9 Ų51.960%0.60131%0.311SS*.SBendtrans-77.7-20.6179.378.70000113.2E907S903-E907 VanDerWaalsContact CB-OE2 3.28Å; S903-E907 WeakPolarHBondContact CB-OE2 3.26Å; S903-E907 PolarHBondContact N-OE2 2.97Å; S903-E907 VanDerWaalsContact OG-CD 3.28Å; S903-E907 PolarHBondContact OG-OE2 3.14Å
904T87.1Confident84.8Confident63 Ų6350.8 Ų50.839%0.38729%0.294SS..SBendtrans-145.4160.5176.666.80000111.6L882 A902 Q906 E907 K908L882-T904 VanDerWaalsContact CD2-C 3.47Å; A902-T904 VanDerWaalsContact C-N 3.33Å; T904-Q906 VanDerWaalsContact C-N 3.25Å; T904-Q906 PolarHBondContact O-N 3.09Å; T904-E907 PolarHBondContact O-N 3.42Å; T904-E907 VanDerWaalsContact O-N 3.14Å; T904-E907 PolarHBondContact OG1-N 3.27Å; T904-E907 VanDerWaalsContact OG1-N 3.12Å; T904-K908 PolarHBondContact O-N 3.37Å
905L82.9Confident86Confident96 Ų9643.2 Ų43.250%0.50326%0.259SS..Hα-helixtrans-62.3-34.3177-162.180.9000112N881 L882 K908 A909N881-L905 HydrophobicContact CB-CD1 4.46Å; L882-L905 HydrophobicContact CD2-CB 4.12Å; L882-L905 HydrophobicContact CD2-CD1 4.26Å; L882-L905 VanDerWaalsContact CD2-N 3.27Å; L905-K908 PolarHBondContact O-N 3.4Å; L905-A909 PolarHBondContact O-N 3.42Å
906Q84.2Confident86.5Confident100 Ų10041 Ų4147%0.46725%0.245SC..Hα-helixtrans-67.5-39.4174.9-170.1-169.3-12.900111.5P671 T904 A909 A910P671-Q906 VanDerWaalsContact CG-CD 3.49Å; P671-Q906 VanDerWaalsContact CG-OE1 3.25Å; T904-Q906 VanDerWaalsContact C-N 3.25Å; T904-Q906 PolarHBondContact O-N 3.09Å; Q906-A909 PolarHBondContact O-N 2.96Å; Q906-A910 WeakPolarHBondContact O-CB 3.44Å; Q906-A910 PolarHBondContact O-N 3.47Å
907E85.3Confident86.6Confident62 Ų6241.8 Ų41.829%0.2924%0.244SC..Hα-helixtrans-63.9-41.2171.8-79.8-167.8150.400112A902 S903 T904 A910 W911A902-E907 HydrophobicContact CB-CB 3.91Å; S903-E907 VanDerWaalsContact CB-OE2 3.28Å; S903-E907 WeakPolarHBondContact CB-OE2 3.26Å; S903-E907 PolarHBondContact N-OE2 2.97Å; S903-E907 VanDerWaalsContact OG-CD 3.28Å; S903-E907 PolarHBondContact OG-OE2 3.14Å; T904-E907 PolarHBondContact O-N 3.42Å; T904-E907 VanDerWaalsContact O-N 3.14Å; T904-E907 PolarHBondContact OG1-N 3.27Å; T904-E907 VanDerWaalsContact OG1-N 3.12Å; E907-A910 PolarHBondContact O-N 2.98Å; E907-W911 WeakPolarHBondContact O-CB 3.45Å; E907-W911 PolarHBondContact O-N 3.27Å
908K89.7Confident86.8Confident18 Ų1839 Ų398%0.07823%0.225CC..Hα-helixtrans-56.8-52.9173.8174.6176.1168.8171.50110.6E570 N881 D883 F884 A902 T904 L905 A910 W911 C912E570-K908 WeakPolarHBondContact O-CE 3.46Å; E570-K908 PolarHBondContact O-NZ 3.46Å; N881-K908 WeakPolarHBondContact O-CD 3.38Å; N881-K908 WeakPolarHBondContact O-CE 3.43Å; N881-K908 PolarHBondContact O-NZ 2.87Å; D883-K908 WeakPolarHBondContact O-CE 3.2Å; D883-K908 PolarHBondContact O-NZ 3.01Å; F884-K908 HydrophobicContact CD1-CG 4.16Å; A902-K908 HydrophobicContact CB-CB 3.94Å; T904-K908 PolarHBondContact O-N 3.37Å; L905-K908 PolarHBondContact O-N 3.4Å; K908-A910 VanDerWaalsContact C-N 3.29Å; K908-A910 PolarHBondContact O-N 3.07Å; K908-W911 PolarHBondContact O-N 3.44Å; K908-C912 WeakPolarHBondContact O-CB 3.21Å; K908-C912 PolarHBondContact O-N 2.88Å; K908-C912 PolarHBondContact O-SG 3.15Å; K908-C912 VanDerWaalsContact O-SG 3.36Å
909A85.6Confident86.7Confident60 Ų6039.5 Ų39.550%0.49623%0.228SC..Hα-helixtrans-56.8-42.9179.900000112.3L905 Q906 S913L905-A909 PolarHBondContact O-N 3.42Å; Q906-A909 PolarHBondContact O-N 2.96Å; A909-S913 VanDerWaalsContact O-CB 3.23Å; A909-S913 WeakPolarHBondContact O-CB 3.44Å; A909-S913 PolarHBondContact O-N 3.45Å
910A86.8Confident86.2Confident25 Ų2540.7 Ų40.721%0.20724%0.236CC..Hα-helixtrans-68.5-38.1177.700000113.3Q906 E907 K908 D914Q906-A910 WeakPolarHBondContact O-CB 3.44Å; Q906-A910 PolarHBondContact O-N 3.47Å; E907-A910 PolarHBondContact O-N 2.98Å; K908-A910 VanDerWaalsContact C-N 3.29Å; K908-A910 PolarHBondContact O-N 3.07Å; A910-D914 WeakPolarHBondContact O-CB 3.33Å; A910-D914 VanDerWaalsContact O-CG 3.28Å; A910-D914 PolarHBondContact O-N 3.5Å; A910-D914 VanDerWaalsContact O-N 3.14Å
911W92.6Very high85.3Confident4 Ų445.7 Ų45.72%0.01526%0.259CS..Hα-helixtrans-69.2-43.7174.7-85.6107.5000112.2R498 L502 V534 L536 L541 F884 E907 K908 I915R498-W911 HydrophobicContact CG-CH2 4.09Å; R498-W911 HydrophobicContact CG-CZ2 4.1Å; R498-W911 HydrophobicContact CG-CZ3 4.38Å; L502-W911 HydrophobicContact CD1-CD2 4.01Å; L502-W911 HydrophobicContact CD1-CE3 4.37Å; L502-W911 HydrophobicContact CD1-CG 4.4Å; L502-W911 HydrophobicContact CD1-CH2 4.48Å; L502-W911 HydrophobicContact CD1-CZ2 4.12Å; L502-W911 HydrophobicContact CD2-CG 4.49Å; L502-W911 HydrophobicContact CG-CZ2 4.31Å; V534-W911 HydrophobicContact CB-CH2 3.94Å; V534-W911 HydrophobicContact CB-CZ2 4.42Å; V534-W911 HydrophobicContact CG1-CH2 3.78Å; V534-W911 HydrophobicContact CG1-CZ3 4.01Å; L536-W911 HydrophobicContact CB-CZ3 4.04Å; L541-W911 HydrophobicContact CD1-CZ3 4.2Å; F884-W911 HydrophobicContact CE1-CB 4.49Å; F884-W911 HydrophobicContact CZ-CB 4.07Å; E907-W911 WeakPolarHBondContact O-CB 3.45Å; E907-W911 PolarHBondContact O-N 3.27Å; K908-W911 PolarHBondContact O-N 3.44Å; W911-I915 HydrophobicContact CE3-CD1 4.15Å; W911-I915 VanDerWaalsContact O-CB 3.27Å; W911-I915 WeakPolarHBondContact O-CB 3.31Å; W911-I915 WeakPolarHBondContact O-CD1 3.41Å; W911-I915 WeakPolarHBondContact O-CG1 3.44Å; W911-I915 PolarHBondContact O-N 3.08Å
912C90.1Very high84.5Confident1 Ų146.7 Ų46.71%0.00726%0.264CS..Hα-helixtrans-61.6-48176.1-69.50000111.4L568 E570 K908 D914 I915 S916L568-C912 HydrophobicContact CD2-CB 4.04Å; E570-C912 HydrophobicContact CG-CB 4.26Å; E570-C912 WeakPolarHBondContact OE1-CB 3.35Å; K908-C912 WeakPolarHBondContact O-CB 3.21Å; K908-C912 PolarHBondContact O-N 2.88Å; K908-C912 PolarHBondContact O-SG 3.15Å; K908-C912 VanDerWaalsContact O-SG 3.36Å; C912-D914 PolarHBondContact O-N 3.18Å; C912-I915 PolarHBondContact O-N 3.02Å; C912-S916 WeakPolarHBondContact O-CB 3.41Å; C912-S916 PolarHBondContact O-N 3.3Å
913S87.1Confident83.4Confident73 Ų7351 Ų5151%0.5128%0.284SS..Hα-helixtrans-58.7-50178.9-175.50000112.4A909 I915 S916 Q917A909-S913 VanDerWaalsContact O-CB 3.23Å; A909-S913 WeakPolarHBondContact O-CB 3.44Å; A909-S913 PolarHBondContact O-N 3.45Å; S913-I915 PolarHBondContact O-N 3.39Å; S913-S916 PolarHBondContact O-N 3.45Å; S913-Q917 WeakPolarHBondContact O-CB 3.39Å; S913-Q917 PolarHBondContact O-N 3.15Å
914D89.1Confident81.8Confident25 Ų2552 Ų5213%0.13428%0.275CS..Hα-helixtrans-68-35.8-178.9-69.38.5000111.9V497 R498 L536 A910 C912 C918V497-D914 HydrophobicContact CG1-CB 4.39Å; R498-D914 IonicContact CZ-OD2 3.84Å; R498-D914 IonicContact NE-OD2 3.66Å; R498-D914 PolarHBondContact NE-OD2 2.85Å; R498-D914 IonicContact NH2-OD1 3.81Å; R498-D914 IonicContact NH2-OD2 2.85Å; R498-D914 PolarHBondContact NH2-OD2 3.36Å; L536-D914 HydrophobicContact CD2-CB 3.71Å; A910-D914 WeakPolarHBondContact O-CB 3.33Å; A910-D914 VanDerWaalsContact O-CG 3.28Å; A910-D914 PolarHBondContact O-N 3.5Å; A910-D914 VanDerWaalsContact O-N 3.14Å; C912-D914 PolarHBondContact O-N 3.18Å; D914-C918 PolarHBondContact O-N 2.74Å; D914-C918 VanDerWaalsContact O-N 3.11Å; D914-C918 PolarHBondContact O-SG 3.18Å
915I89.7Confident79.7Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-68-46.4175.9-72.1169.7000110.8L536 L568 F884 L886 W911 C912 S913 Q917 C918 I919L536-I915 HydrophobicContact CD1-CG1 4.17Å; L536-I915 HydrophobicContact CD2-CG1 4.13Å; L568-I915 HydrophobicContact CD2-CB 4.48Å; L568-I915 HydrophobicContact CD2-CG2 4.2Å; F884-I915 HydrophobicContact CE2-CD1 4.21Å; L886-I915 HydrophobicContact CD2-CG2 4.19Å; W911-I915 HydrophobicContact CE3-CD1 4.15Å; W911-I915 VanDerWaalsContact O-CB 3.27Å; W911-I915 WeakPolarHBondContact O-CB 3.31Å; W911-I915 WeakPolarHBondContact O-CD1 3.41Å; W911-I915 WeakPolarHBondContact O-CG1 3.44Å; W911-I915 PolarHBondContact O-N 3.08Å; C912-I915 PolarHBondContact O-N 3.02Å; S913-I915 PolarHBondContact O-N 3.39Å; I915-Q917 VanDerWaalsContact C-N 3.34Å; I915-Q917 PolarHBondContact O-N 3.2Å; I915-C918 PolarHBondContact O-N 3.1Å; I915-I919 HydrophobicContact CG2-CD1 3.68Å; I915-I919 HydrophobicContact CG2-CG1 4.4Å; I915-I919 WeakPolarHBondContact O-CG1 3.28Å; I915-I919 PolarHBondContact O-N 2.72Å
916S85.8Confident77.7Confident39 Ų3951.3 Ų51.327%0.27327%0.274SS..Hα-helixtrans-60.5-45.9176.8-163.30000110.5C912 S913 C918 I919 E920C912-S916 WeakPolarHBondContact O-CB 3.41Å; C912-S916 PolarHBondContact O-N 3.3Å; S913-S916 PolarHBondContact O-N 3.45Å; S916-C918 VanDerWaalsContact C-N 3.29Å; S916-C918 PolarHBondContact O-N 2.93Å; S916-I919 PolarHBondContact O-N 2.73Å; S916-I919 VanDerWaalsContact O-N 3.15Å; S916-E920 WeakPolarHBondContact CB-OE1 3.33Å; S916-E920 WeakPolarHBondContact O-CB 3.47Å; S916-E920 VanDerWaalsContact O-CG 3.28Å; S916-E920 WeakPolarHBondContact O-CG 3.28Å; S916-E920 PolarHBondContact O-N 3.2Å; S916-E920 PolarHBondContact OG-OE1 3.31Å
917Q81.3Confident75.6Confident76 Ų7650.3 Ų50.336%0.35527%0.272SS..Hα-helixtrans-58.9-38.3177.8-166.2-173.568.800112.4S913 I915 Q921S913-Q917 WeakPolarHBondContact O-CB 3.39Å; S913-Q917 PolarHBondContact O-N 3.15Å; I915-Q917 VanDerWaalsContact C-N 3.34Å; I915-Q917 PolarHBondContact O-N 3.2Å; Q917-Q921 WeakPolarHBondContact O-CB 3.26Å; Q917-Q921 WeakPolarHBondContact O-CG 3.24Å; Q917-Q921 PolarHBondContact O-N 3.41Å
918C84.6Confident73.2Confident3 Ų349.9 Ų49.92%0.0227%0.271CS..Hα-helixtrans-68.5-46.2174.6-65.60000112.3L563 D914 I915 S916 E920 Q921 L922L563-C918 HydrophobicContact CD1-CB 3.74Å; D914-C918 PolarHBondContact O-N 2.74Å; D914-C918 VanDerWaalsContact O-N 3.11Å; D914-C918 PolarHBondContact O-SG 3.18Å; I915-C918 PolarHBondContact O-N 3.1Å; S916-C918 VanDerWaalsContact C-N 3.29Å; S916-C918 PolarHBondContact O-N 2.93Å; C918-E920 VanDerWaalsContact C-N 3.35Å; C918-E920 PolarHBondContact O-N 3.06Å; C918-Q921 PolarHBondContact O-N 3.49Å; C918-L922 VanDerWaalsContact O-CG 3.3Å; C918-L922 WeakPolarHBondContact O-CG 3.15Å; C918-L922 PolarHBondContact O-N 2.88Å
919I83.2Confident70.7Confident16 Ų1655.9 Ų55.98%0.08230%0.304CS..Hα-helixtrans-62.3-42.7178.4-68.4172000110.7L563 C566 I915 S916 L922 H923L563-I919 HydrophobicContact CB-CG1 4.15Å; L563-I919 HydrophobicContact CD2-CG1 4.28Å; C566-I919 HydrophobicContact CB-CD1 4.31Å; I915-I919 HydrophobicContact CG2-CD1 3.68Å; I915-I919 HydrophobicContact CG2-CG1 4.4Å; I915-I919 WeakPolarHBondContact O-CG1 3.28Å; I915-I919 PolarHBondContact O-N 2.72Å; S916-I919 PolarHBondContact O-N 2.73Å; S916-I919 VanDerWaalsContact O-N 3.15Å; I919-L922 PolarHBondContact O-N 3Å; I919-H923 WeakPolarHBondContact CG2-CE1 3.48Å; I919-H923 PolarHBondContact O-N 2.83Å; I919-H923 VanDerWaalsContact O-N 3.08Å; I919-H923 PolarHBondContact O-ND1 2.68Å; I919-H923 VanDerWaalsContact O-ND1 3.07Å
920E75.2Confident68Low92 Ų9256.4 Ų56.443%0.4330%0.304SS..Hα-helixtrans-60.9-50.1173.2-73.6167.9-124.800111.4S916 C918 L922 H923 Y924S916-E920 WeakPolarHBondContact CB-OE1 3.33Å; S916-E920 WeakPolarHBondContact O-CB 3.47Å; S916-E920 VanDerWaalsContact O-CG 3.28Å; S916-E920 WeakPolarHBondContact O-CG 3.28Å; S916-E920 PolarHBondContact O-N 3.2Å; S916-E920 PolarHBondContact OG-OE1 3.31Å; C918-E920 VanDerWaalsContact C-N 3.35Å; C918-E920 PolarHBondContact O-N 3.06Å; E920-L922 VanDerWaalsContact C-N 3.25Å; E920-L922 PolarHBondContact O-N 2.86Å; E920-H923 PolarHBondContact O-N 3.34Å; E920-Y924 HydrophobicContact CB-CD2 4.24Å; E920-Y924 HydrophobicContact CB-CE2 4.38Å; E920-Y924 WeakPolarHBondContact O-CB 3.48Å; E920-Y924 WeakPolarHBondContact O-CD2 3.49Å; E920-Y924 PolarHBondContact O-N 3.18Å
921Q70.5Confident65.3Low105 Ų10557.6 Ų57.649%0.49131%0.314SS..Hα-helixtrans-59.9-33.9179.2-78176.12300112.9Q917 C918 G925Q917-Q921 WeakPolarHBondContact O-CB 3.26Å; Q917-Q921 WeakPolarHBondContact O-CG 3.24Å; Q917-Q921 PolarHBondContact O-N 3.41Å; C918-Q921 PolarHBondContact O-N 3.49Å; Q921-G925 PolarHBondContact O-N 3.03Å
922L72Confident62.1Low31 Ų3164.5 Ų64.516%0.16235%0.346CS..Hα-helixtrans-67.9-50.5174.1-70.5163.2000112T538 N539 L563 V564 C918 I919 E920 Y924 G925 D926T538-L922 WeakPolarHBondContact O-CD1 3.47Å; N539-L922 HydrophobicContact CB-CD2 4.4Å; L563-L922 HydrophobicContact CB-CD1 3.47Å; L563-L922 VanDerWaalsContact CB-CD1 3.47Å; V564-L922 HydrophobicContact CG2-CB 4.24Å; V564-L922 HydrophobicContact CG2-CD1 3.88Å; V564-L922 HydrophobicContact CG2-CD2 3.95Å; V564-L922 HydrophobicContact CG2-CG 4.25Å; C918-L922 VanDerWaalsContact O-CG 3.3Å; C918-L922 WeakPolarHBondContact O-CG 3.15Å; C918-L922 PolarHBondContact O-N 2.88Å; I919-L922 PolarHBondContact O-N 3Å; E920-L922 VanDerWaalsContact C-N 3.25Å; E920-L922 PolarHBondContact O-N 2.86Å; L922-Y924 VanDerWaalsContact C-N 3.31Å; L922-Y924 PolarHBondContact O-N 2.88Å; L922-G925 PolarHBondContact O-N 3.37Å; L922-G925 VanDerWaalsContact O-N 3.12Å; L922-D926 PolarHBondContact O-N 2.8Å
923H64.7Low59.1Low97 Ų9768.4 Ų68.445%0.44937%0.373SS..Hα-helixtrans-62.5-38.5177.1-66.9137.5000112.2I919 E920 I927I919-H923 WeakPolarHBondContact CG2-CE1 3.48Å; I919-H923 PolarHBondContact O-N 2.83Å; I919-H923 VanDerWaalsContact O-N 3.08Å; I919-H923 PolarHBondContact O-ND1 2.68Å; I919-H923 VanDerWaalsContact O-ND1 3.07Å; E920-H923 PolarHBondContact O-N 3.34Å; H923-I927 WeakPolarHBondContact O-CD1 3.38Å; H923-I927 WeakPolarHBondContact O-CG1 3.32Å
924Y50.9Low56.3Low106 Ų10669.2 Ų69.242%0.41637%0.372SS..Hα-helixtrans-65.3-42.3171.5-82.8-60.4000111.3E920 L922 D926 I927 L928E920-Y924 HydrophobicContact CB-CD2 4.24Å; E920-Y924 HydrophobicContact CB-CE2 4.38Å; E920-Y924 WeakPolarHBondContact O-CB 3.48Å; E920-Y924 WeakPolarHBondContact O-CD2 3.49Å; E920-Y924 PolarHBondContact O-N 3.18Å; L922-Y924 VanDerWaalsContact C-N 3.31Å; L922-Y924 PolarHBondContact O-N 2.88Å; Y924-D926 PolarHBondContact O-N 2.96Å; Y924-I927 PolarHBondContact O-N 3.39Å; Y924-I927 VanDerWaalsContact O-N 3.12Å; Y924-L928 HydrophobicContact CD1-CD1 4.46Å; Y924-L928 HydrophobicContact CG-CD1 4.5Å; Y924-L928 WeakPolarHBondContact O-CB 3.3Å; Y924-L928 WeakPolarHBondContact O-CG 3.5Å; Y924-L928 PolarHBondContact O-N 3.29Å
925G43.3Very low53.4Low22 Ų2274.8 Ų74.823%0.22741%0.407CS..Hα-helixtrans-57.4-40.7-18000000114.5Q921 L922 I927 L928 N929Q921-G925 PolarHBondContact O-N 3.03Å; L922-G925 PolarHBondContact O-N 3.37Å; L922-G925 VanDerWaalsContact O-N 3.12Å; G925-I927 VanDerWaalsContact C-N 3.34Å; G925-L928 PolarHBondContact O-N 3.04Å; G925-N929 WeakPolarHBondContact O-CB 2.76Å; G925-N929 PolarHBondContact O-N 3.23Å; G925-N929 PolarHBondContact O-ND2 3.25Å
926D40Very low50.5Low122 Ų12280 Ų8065%0.65244%0.443SS*.Hα-helixtrans-71.7-26177.3-96.6-11.6000113.4L922 Y924L922-D926 PolarHBondContact O-N 2.8Å; Y924-D926 PolarHBondContact O-N 2.96Å
927I40.2Very low47.9Very low80 Ų8081.5 Ų81.541%0.4145%0.454SS..Hα-helixtrans-79.2-46171.7-63.2167.2000109.7H923 Y924 G925 S930 A931H923-I927 WeakPolarHBondContact O-CD1 3.38Å; H923-I927 WeakPolarHBondContact O-CG1 3.32Å; Y924-I927 PolarHBondContact O-N 3.39Å; Y924-I927 VanDerWaalsContact O-N 3.12Å; G925-I927 VanDerWaalsContact C-N 3.34Å; I927-S930 CarbonylContact O-C 3.56Å; I927-S930 PolarHBondContact O-N 2.92Å; I927-S930 VanDerWaalsContact O-N 3.1Å; I927-S930 PolarHBondContact O-OG 2.79Å; I927-A931 PolarHBondContact O-N 3.13Å
928L35.2Very low45.6Very low53 Ų5381.3 Ų81.328%0.27746%0.457SS..Hα-helixtrans-74.9-30.3-169.6-71.8173000113.4Y924 G925 S930 A931 Q932Y924-L928 HydrophobicContact CD1-CD1 4.46Å; Y924-L928 HydrophobicContact CG-CD1 4.5Å; Y924-L928 WeakPolarHBondContact O-CB 3.3Å; Y924-L928 WeakPolarHBondContact O-CG 3.5Å; Y924-L928 PolarHBondContact O-N 3.29Å; G925-L928 PolarHBondContact O-N 3.04Å; L928-S930 PolarHBondContact O-N 3.19Å; L928-A931 HydrophobicContact CD2-CB 4.43Å; L928-A931 PolarHBondContact O-N 2.8Å; L928-Q932 HydrophobicContact CB-CG 3.78Å; L928-Q932 HydrophobicContact CD2-CG 3.81Å; L928-Q932 HydrophobicContact CG-CG 4.24Å; L928-Q932 WeakPolarHBondContact O-CB 2.94Å; L928-Q932 PolarHBondContact O-N 2.92Å
929N36.4Very low43.3Very low144 Ų14484.4 Ų84.477%0.7748%0.483SS*.THydrogen-bonded Turntrans-62-9.5168.1-83.5-70000113.7G925G925-N929 WeakPolarHBondContact O-CB 2.76Å; G925-N929 PolarHBondContact O-N 3.23Å; G925-N929 PolarHBondContact O-ND2 3.25Å
930S30.3Very low41.3Very low70 Ų7084.4 Ų84.449%0.4948%0.483SS..THydrogen-bonded Turntrans-114.7-2.8169.1410000114.7I927 L928 M2109I927-S930 CarbonylContact O-C 3.56Å; I927-S930 PolarHBondContact O-N 2.92Å; I927-S930 VanDerWaalsContact O-N 3.1Å; I927-S930 PolarHBondContact O-OG 2.79Å; L928-S930 PolarHBondContact O-N 3.19Å; S930-M2109 WeakPolarHBondContact CB-SD 3.43Å; S930-M2109 WeakPolarHBondContact O-CE 3.33Å; S930-M2109 WeakPolarHBondContact OG-CE 3.34Å; S930-M2109 PolarHBondContact OG-SD 3.07Å
931A28.7Very low39.7Very low51 Ų5181.3 Ų81.342%0.42147%0.471SS..THydrogen-bonded Turntrans-126.1-13.7-176.100000115.8I927 L928 S933 M2109I927-A931 PolarHBondContact O-N 3.13Å; L928-A931 HydrophobicContact CD2-CB 4.43Å; L928-A931 PolarHBondContact O-N 2.8Å; A931-S933 PolarHBondContact O-N 3.37Å; A931-M2109 HydrophobicContact CB-CE 3.57Å
932Q26.9Very low38.5Very low148 Ų14883 Ų8369%0.69248%0.479SS*.  trans-77.382-174.1-89.8177.6-22.700113.4L928L928-Q932 HydrophobicContact CB-CG 3.78Å; L928-Q932 HydrophobicContact CD2-CG 3.81Å; L928-Q932 HydrophobicContact CG-CG 4.24Å; L928-Q932 WeakPolarHBondContact O-CB 2.94Å; L928-Q932 PolarHBondContact O-N 2.92Å
933S25.8Very low37.2Very low83 Ų8385.6 Ų85.658%0.5850%0.5SS*.SBendtrans-136.3120.2138.760.30000109.8A931A931-S933 PolarHBondContact O-N 3.37Å
934D28.3Very low36.4Very low90 Ų9082 Ų8248%0.48148%0.484SS..  trans64100.3155.7-47.2-23.5000120.1P941D934-P941 WeakPolarHBondContact OD2-CD 3.43Å; D934-P941 WeakPolarHBondContact OD2-CG 3.44Å
935V29.2Very low36.3Very low142 Ų14283.2 Ų83.286%0.86149%0.487SS*.SBendtrans-135138133.4-173.90000109
936S27.6Very low36.5Very low110 Ų11086.3 Ų86.377%0.76951%0.506SS*.SBendtrans98.7-13.6170.179.40000120.9
937S30.6Very low37.5Very low70 Ų7082 Ų8249%0.4948%0.482SS..SBendtrans-143.9137.9163.568.90000112.8A939S937-A939 PolarHBondContact O-N 3.28Å
938V34Very low38.3Very low72 Ų7281.4 Ų81.444%0.43648%0.484SS..  trans-93.985.5-164-174.20000112.2
939A36.8Very low39.7Very low68 Ų6886.2 Ų86.256%0.56250%0.503SS*.  trans-108.548.1171.300000112.3S937S937-A939 PolarHBondContact O-N 3.28Å
940M41.3Very low40.9Very low16 Ų1679.6 Ų79.68%0.07947%0.467CS..  trans-25.4116.8-167.9-157-175.493.500115.3I944 R945 F951 V968M940-I944 HydrophobicContact CE-CB 4.19Å; M940-I944 HydrophobicContact CE-CG2 3.7Å; M940-I944 HydrophobicContact CG-CB 4.21Å; M940-I944 HydrophobicContact CG-CG2 3.82Å; M940-I944 HydrophobicContact SD-CG2 3.85Å; M940-R945 HydrophobicContact CE-CB 4.06Å; M940-R945 HydrophobicContact CE-CG 3.42Å; M940-R945 VanDerWaalsContact CE-CG 3.42Å; M940-R945 VanDerWaalsContact O-CZ 3.29Å; M940-R945 PolarHBondContact O-NE 3.25Å; M940-R945 PolarHBondContact O-NH2 2.58Å; M940-F951 HydrophobicContact CE-CE2 3.78Å; M940-F951 HydrophobicContact CE-CZ 3.51Å; M940-F951 HydrophobicContact SD-CZ 4.31Å; M940-V968 HydrophobicContact SD-CG2 3.94Å
941P40.7Very low42.6Very low28 Ų2880.3 Ų80.318%0.18246%0.462CS..  trans-54.1149.2-174-32.835.3000114.9D934 S943 I944 R945D934-P941 WeakPolarHBondContact OD2-CD 3.43Å; D934-P941 WeakPolarHBondContact OD2-CG 3.44Å; P941-S943 VanDerWaalsContact C-N 3.29Å; P941-S943 PolarHBondContact O-N 2.92Å; P941-I944 HydrophobicContact CB-CD1 4.29Å; P941-I944 HydrophobicContact CB-CG1 4.26Å; P941-I944 HydrophobicContact CG-CD1 4.1Å; P941-I944 CarbonylContact O-C 3.44Å; P941-I944 WeakPolarHBondContact O-CA 3.31Å; P941-I944 WeakPolarHBondContact O-CB 3.3Å; P941-I944 PolarHBondContact O-N 3.33Å; P941-R945 PolarHBondContact O-N 3.3Å
942Q45Very low44.3Very low140 Ų14084.4 Ų84.465%0.65447%0.47SS*.Hα-helixtrans-63.1-34-178-69-714.300113I944 R945 S946Q942-I944 VanDerWaalsContact C-N 3.31Å; Q942-I944 PolarHBondContact O-N 3.44Å; Q942-R945 PolarHBondContact O-N 3.35Å; Q942-S946 PolarHBondContact O-N 3.01Å; Q942-S946 PolarHBondContact O-OG 2.26Å
943S44.3Very low46.8Very low85 Ų8581.3 Ų81.359%0.59446%0.458SS*.Hα-helixtrans-56.6-44.7170.746.50000111.9P941 S946 D947P941-S943 VanDerWaalsContact C-N 3.29Å; P941-S943 PolarHBondContact O-N 2.92Å; S943-S946 WeakPolarHBondContact CA-OG 3.47Å; S943-S946 PolarHBondContact O-N 3.38Å; S943-S946 PolarHBondContact O-OG 3.06Å; S943-D947 PolarHBondContact O-N 2.98Å
944I48Very low49.4Very low23 Ų2380.7 Ų80.712%0.11845%0.448CS..Hα-helixtrans-72.1-34.7177.7-58.8-179.9000110.6M940 P941 Q942 S946 D947 L950 R987M940-I944 HydrophobicContact CE-CB 4.19Å; M940-I944 HydrophobicContact CE-CG2 3.7Å; M940-I944 HydrophobicContact CG-CB 4.21Å; M940-I944 HydrophobicContact CG-CG2 3.82Å; M940-I944 HydrophobicContact SD-CG2 3.85Å; P941-I944 HydrophobicContact CB-CD1 4.29Å; P941-I944 HydrophobicContact CB-CG1 4.26Å; P941-I944 HydrophobicContact CG-CD1 4.1Å; P941-I944 CarbonylContact O-C 3.44Å; P941-I944 WeakPolarHBondContact O-CA 3.31Å; P941-I944 WeakPolarHBondContact O-CB 3.3Å; P941-I944 PolarHBondContact O-N 3.33Å; Q942-I944 VanDerWaalsContact C-N 3.31Å; Q942-I944 PolarHBondContact O-N 3.44Å; I944-S946 PolarHBondContact O-N 3.07Å; I944-D947 PolarHBondContact O-N 3.15Å; I944-L950 HydrophobicContact CB-CD1 4.43Å; I944-L950 HydrophobicContact CG2-CD1 3.41Å; I944-L950 VanDerWaalsContact CG2-CD1 3.41Å; I944-L950 WeakPolarHBondContact O-CD1 3.32Å; I944-R987 HydrophobicContact CD1-CB 3.98Å
945R50.3Low51.7Low130 Ų13081.8 Ų81.849%0.49146%0.458SS..Hα-helixtrans-64.3-23.2170.8-66.1-178.2-161.6-167.97.4113.2M940 P941 Q942M940-R945 HydrophobicContact CE-CB 4.06Å; M940-R945 HydrophobicContact CE-CG 3.42Å; M940-R945 VanDerWaalsContact CE-CG 3.42Å; M940-R945 VanDerWaalsContact O-CZ 3.29Å; M940-R945 PolarHBondContact O-NE 3.25Å; M940-R945 PolarHBondContact O-NH2 2.58Å; P941-R945 PolarHBondContact O-N 3.3Å; Q942-R945 PolarHBondContact O-N 3.35Å
946S47.8Very low54.3Low87 Ų8777.8 Ų77.861%0.60843%0.432SS*.Hα-helixtrans-92.7-14-179.165.40000115.4Q942 S943 I944 P948Q942-S946 PolarHBondContact O-N 3.01Å; Q942-S946 PolarHBondContact O-OG 2.26Å; S943-S946 WeakPolarHBondContact CA-OG 3.47Å; S943-S946 PolarHBondContact O-N 3.38Å; S943-S946 PolarHBondContact O-OG 3.06Å; I944-S946 PolarHBondContact O-N 3.07Å; S946-P948 WeakPolarHBondContact O-CD 3.3Å
947D60.1Low57.1Low31 Ų3173.1 Ų73.117%0.16640%0.398CS..  trans-71.9115179.9179.19.8000111.6S943 I944 K949 L950 R987S943-D947 PolarHBondContact O-N 2.98Å; I944-D947 PolarHBondContact O-N 3.15Å; D947-K949 PolarHBondContact O-N 2.82Å; D947-K949 WeakPolarHBondContact OD1-CB 3.34Å; D947-K949 WeakPolarHBondContact OD1-CG 3.37Å; D947-K949 PolarHBondContact OD1-N 2.74Å; D947-L950 HydrophobicContact CB-CD1 3.96Å; D947-L950 HydrophobicContact CB-CG 4.13Å; D947-L950 PolarHBondContact O-N 3.39Å; D947-R987 IonicContact OD2-CZ 3.36Å; D947-R987 IonicContact OD2-NH1 3.02Å; D947-R987 PolarHBondContact OD2-NH1 3.2Å; D947-R987 IonicContact OD2-NH2 2.7Å
948P58Low59.8Low69 Ų6972.7 Ų72.745%0.44839%0.388SS..G310 helixtrans-61.3-28.1178.2-21.534.9000113.7S946 L950 F951 K952S946-P948 WeakPolarHBondContact O-CD 3.3Å; P948-L950 PolarHBondContact O-N 2.74Å; P948-F951 PolarHBondContact O-N 3.48Å; P948-K952 HydrophobicContact CB-CD 3.96Å; P948-K952 WeakPolarHBondContact O-CB 3.35Å; P948-K952 PolarHBondContact O-N 3.04Å
949K63.2Low62.4Low153 Ų15369.7 Ų69.767%0.66537%0.369SS*.G310 helixtrans-66.4-18.8-177.6-62.1-177176.1-173.10113.3D947D947-K949 PolarHBondContact O-N 2.82Å; D947-K949 WeakPolarHBondContact OD1-CB 3.34Å; D947-K949 WeakPolarHBondContact OD1-CG 3.37Å; D947-K949 PolarHBondContact OD1-N 2.74Å
950L61.2Low64.6Low5 Ų567.8 Ų67.83%0.02635%0.351CS..G310 helixtrans-90.6-12.7180-61176000113.4I944 D947 P948 P969 R982I944-L950 HydrophobicContact CB-CD1 4.43Å; I944-L950 HydrophobicContact CG2-CD1 3.41Å; I944-L950 VanDerWaalsContact CG2-CD1 3.41Å; I944-L950 WeakPolarHBondContact O-CD1 3.32Å; D947-L950 HydrophobicContact CB-CD1 3.96Å; D947-L950 HydrophobicContact CB-CG 4.13Å; D947-L950 PolarHBondContact O-N 3.39Å; P948-L950 PolarHBondContact O-N 2.74Å; L950-P969 WeakPolarHBondContact O-CD 3.38Å; L950-R982 VanDerWaalsContact CD2-NH2 3.34Å
951F66Low66.2Low86 Ų8675.5 Ų75.538%0.37739%0.387SS..THydrogen-bonded Turntrans-135.2-1.4-167.8-67.2-80.7000115.2M940 P948 P969M940-F951 HydrophobicContact CE-CE2 3.78Å; M940-F951 HydrophobicContact CE-CZ 3.51Å; M940-F951 HydrophobicContact SD-CZ 4.31Å; P948-F951 PolarHBondContact O-N 3.48Å; F951-P969 HydrophobicContact CD1-CG 3.55Å; F951-P969 HydrophobicContact CE1-CG 3.83Å; F951-P969 HydrophobicContact CG-CG 4.45Å
952K66.1Low67.9Low136 Ų13677.6 Ų77.659%0.59140%0.399SS*.SBendtrans-117.9140.1177.4-64.6-176-178.9178.10110.7P948 F959P948-K952 HydrophobicContact CB-CD 3.96Å; P948-K952 WeakPolarHBondContact O-CB 3.35Å; P948-K952 PolarHBondContact O-N 3.04Å; K952-F959 WeakPolarHBondContact O-CD2 3.49Å; K952-F959 VanDerWaalsContact O-CE2 3.29Å; K952-F959 WeakPolarHBondContact O-CE2 3.38Å
953D79.1Confident69.5Low83 Ų8375 Ų7544%0.44439%0.389SS..  trans-63.4136.6166-72.813.9000109.3K958 F959 R972D953-K958 HydrophobicContact CB-CG 4.42Å; D953-F959 PolarHBondContact OD1-N 2.76Å; D953-R972 IonicContact OD2-NH2 2.68Å; D953-R972 PolarHBondContact OD2-NH2 3.49Å; D953-R972 VanDerWaalsContact OD2-NH2 3.13Å
954D80.2Confident70.9Confident70 Ų7072.1 Ų72.137%0.37437%0.367SS..  trans-119.7171.9177-167.5-1.1000108.1D956 I957 R978D954-D956 VanDerWaalsContact C-N 3.29Å; D954-D956 PolarHBondContact O-N 2.89Å; D954-I957 HydrophobicContact CB-CG2 3.8Å; D954-I957 PolarHBondContact N-O 2.85Å; D954-R978 IonicContact OD2-CZ 3.32Å; D954-R978 IonicContact OD2-NH1 2.64Å; D954-R978 PolarHBondContact OD2-NH1 3.43Å; D954-R978 IonicContact OD2-NH2 2.66Å; D954-R978 PolarHBondContact OD2-NH2 2.66Å
955V76Confident71.9Confident114 Ų11474.6 Ų74.669%0.69139%0.386SS*.SBendtrans-60.3-44.3177.7-178.10000110.3
956D83.7Confident72.5Confident57 Ų5769 Ų6931%0.30537%0.367SS..SBendtrans-88-10.4-173.9-55.8-33.6000114.4D954 A974 T975 R978D954-D956 VanDerWaalsContact C-N 3.29Å; D954-D956 PolarHBondContact O-N 2.89Å; D956-A974 CarbonylContact O-C 3.48Å; D956-A974 WeakPolarHBondContact O-CA 3.27Å; D956-T975 HydrophobicContact CB-CG2 3.9Å; D956-T975 PolarHBondContact O-N 2.77Å; D956-R978 HydrophobicContact CB-CG 3.54Å; D956-R978 IonicContact OD2-CZ 3.04Å; D956-R978 IonicContact OD2-NE 2.66Å; D956-R978 PolarHBondContact OD2-NE 2.62Å; D956-R978 IonicContact OD2-NH2 2.76Å; D956-R978 PolarHBondContact OD2-NH2 2.85Å
957I87.2Confident73.7Confident12 Ų1269.9 Ų69.96%0.06236%0.36CS..EExtended strand (participates in β ladder)trans-154.9124.8-174.7179.9163.1000112D954 F959 I971 Y973 A974 R978D954-I957 HydrophobicContact CB-CG2 3.8Å; D954-I957 PolarHBondContact N-O 2.85Å; I957-F959 HydrophobicContact CD1-CE1 3.9Å; I957-F959 HydrophobicContact CD1-CE2 4.32Å; I957-F959 HydrophobicContact CD1-CZ 3.58Å; I957-F959 HydrophobicContact CG1-CE1 4.13Å; I957-F959 HydrophobicContact CG1-CE2 3.98Å; I957-F959 HydrophobicContact CG1-CZ 3.72Å; I957-F959 HydrophobicContact CG2-CE2 4.43Å; I957-I971 HydrophobicContact CD1-CD1 3.68Å; I957-I971 HydrophobicContact CD1-CG1 3.99Å; I957-I971 HydrophobicContact CG1-CG1 4.44Å; I957-I971 HydrophobicContact CG1-CG2 4.47Å; I957-Y973 CarbonylContact C-O 3.56Å; I957-Y973 WeakPolarHBondContact CA-O 3.43Å; I957-A974 HydrophobicContact CB-CB 4.18Å; I957-A974 HydrophobicContact CD1-CB 4.31Å; I957-A974 HydrophobicContact CG1-CB 4.06Å; I957-R978 HydrophobicContact CB-CB 4.16Å; I957-R978 HydrophobicContact CB-CG 4.33Å; I957-R978 HydrophobicContact CD1-CB 4.33Å; I957-R978 HydrophobicContact CG2-CG 4.3Å
958K87.5Confident74.3Confident62 Ų6268.5 Ų68.527%0.2735%0.353SS..EExtended strand (participates in β ladder)trans-123.6129-175.9-59.2178.4-176175.60110D953 R972 Y973 L2376D953-K958 HydrophobicContact CB-CG 4.42Å; K958-R972 PolarHBondContact O-N 3.34Å; K958-Y973 HydrophobicContact CB-CD2 4.31Å; K958-Y973 HydrophobicContact CD-CD2 4.41Å; K958-Y973 PolarHBondContact N-O 2.94Å; K958-Y973 PolarHBondContact O-N 2.98Å; K958-L2376 HydrophobicContact CD-CD1 4.18Å
959F87.5Confident75.2Confident9 Ų965.9 Ų65.94%0.03934%0.336CS..EExtended strand (participates in β ladder)trans-103.1162.1-173.3-62.4-81.1000112.6K952 D953 I957 P969 Q970 I971 R972K952-F959 WeakPolarHBondContact O-CD2 3.49Å; K952-F959 VanDerWaalsContact O-CE2 3.29Å; K952-F959 WeakPolarHBondContact O-CE2 3.38Å; D953-F959 PolarHBondContact OD1-N 2.76Å; I957-F959 HydrophobicContact CD1-CE1 3.9Å; I957-F959 HydrophobicContact CD1-CE2 4.32Å; I957-F959 HydrophobicContact CD1-CZ 3.58Å; I957-F959 HydrophobicContact CG1-CE1 4.13Å; I957-F959 HydrophobicContact CG1-CE2 3.98Å; I957-F959 HydrophobicContact CG1-CZ 3.72Å; I957-F959 HydrophobicContact CG2-CE2 4.43Å; F959-P969 HydrophobicContact CB-CB 3.82Å; F959-P969 HydrophobicContact CD1-CB 3.95Å; F959-P969 HydrophobicContact CG-CB 4.09Å; F959-Q970 CarbonylContact C-O 3.6Å; F959-Q970 WeakPolarHBondContact CA-O 3.4Å; F959-I971 HydrophobicContact CD1-CG1 4.09Å; F959-I971 HydrophobicContact CE1-CG1 3.87Å; F959-R972 VanDerWaalsContact O-CZ 3.22Å; F959-R972 PolarHBondContact O-NE 3.12Å; F959-R972 PolarHBondContact O-NH2 3.03Å
960S82.9Confident76.3Confident27 Ų2760.8 Ų60.819%0.18931%0.314CS..EExtended strand (participates in β ladder)trans-95.4158.8174-172.30000110.8T962 Q970S960-T962 VanDerWaalsContact CB-OG1 3.3Å; S960-T962 WeakPolarHBondContact CB-OG1 3.3Å; S960-T962 PolarHBondContact O-N 3.32Å; S960-T962 PolarHBondContact OG-N 3.16Å; S960-T962 VanDerWaalsContact OG-N 3.13Å; S960-T962 PolarHBondContact OG-OG1 3.19Å; S960-Q970 WeakPolarHBondContact CB-O 3.44Å; S960-Q970 PolarHBondContact N-O 3.03Å
961H75.8Confident77.6Confident179 Ų17960.9 Ų60.983%0.82932%0.315SS*.EExtended strand (participates in β ladder)trans-73.1-12.7165.2-56.9-41.1000112.9
962T76.6Confident78.8Confident71 Ų7161.1 Ų61.144%0.43631%0.313SS..EExtended strand (participates in β ladder)trans-78133.317051.60000110.6S960 Q970S960-T962 VanDerWaalsContact CB-OG1 3.3Å; S960-T962 WeakPolarHBondContact CB-OG1 3.3Å; S960-T962 PolarHBondContact O-N 3.32Å; S960-T962 PolarHBondContact OG-N 3.16Å; S960-T962 VanDerWaalsContact OG-N 3.13Å; S960-T962 PolarHBondContact OG-OG1 3.19Å; T962-Q970 WeakPolarHBondContact O-CB 3.5Å; T962-Q970 WeakPolarHBondContact O-CG 3.48Å; T962-Q970 PolarHBondContact O-N 2.96Å; T962-Q970 PolarHBondContact OG1-OE1 3.16Å
963L77.8Confident80Confident87 Ų8758.1 Ų58.146%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-89.2156.6173.5-53.7178.5000110.5K967 V968 P969 Q970L963-K967 HydrophobicContact CD1-CB 4.37Å; L963-V968 CarbonylContact C-O 3.54Å; L963-V968 VanDerWaalsContact CA-O 3.29Å; L963-V968 WeakPolarHBondContact CA-O 3.49Å; L963-P969 HydrophobicContact CD2-CB 4.49Å; L963-P969 HydrophobicContact CD2-CG 4.07Å; L963-Q970 PolarHBondContact O-NE2 3.17Å
964N74.2Confident80.6Confident23 Ų2354.1 Ų54.112%0.12328%0.277CS..  trans-79.4177165.964.48000111C966 K967 V968 Q970 S990N964-C966 PolarHBondContact O-N 3.4Å; N964-C966 WeakPolarHBondContact OD1-CA 3.2Å; N964-C966 WeakPolarHBondContact OD1-CB 3.22Å; N964-C966 PolarHBondContact OD1-N 3.32Å; N964-C966 VanDerWaalsContact OD1-N 3.07Å; N964-K967 PolarHBondContact O-N 2.98Å; N964-K967 PolarHBondContact OD1-N 3.29Å; N964-V968 PolarHBondContact N-O 2.82Å; N964-V968 PolarHBondContact OD1-N 3.06Å; N964-V968 PolarHBondContact OD1-O 3.35Å; N964-V968 VanDerWaalsContact OD1-O 3.08Å; N964-Q970 HydrophobicContact CB-CG 4.2Å; N964-S990 WeakPolarHBondContact ND2-CB 3.44Å; N964-S990 PolarHBondContact ND2-OG 2.99Å
965S68Low81.2Confident75 Ų7552.3 Ų52.352%0.52427%0.269SS..THydrogen-bonded Turntrans-48.5-25.9172.346.70000114D992S965-D992 VanDerWaalsContact CB-OD2 3.22Å; S965-D992 WeakPolarHBondContact CB-OD2 3.45Å; S965-D992 PolarHBondContact N-OD2 2.83Å; S965-D992 PolarHBondContact OG-OD2 3.09Å
966C64.7Low81.9Confident13 Ų1349 Ų499%0.08825%0.249CC..THydrogen-bonded Turntrans-97.912.8-175.7-45.30000114N964 V968 F988 S990N964-C966 PolarHBondContact O-N 3.4Å; N964-C966 WeakPolarHBondContact OD1-CA 3.2Å; N964-C966 WeakPolarHBondContact OD1-CB 3.22Å; N964-C966 PolarHBondContact OD1-N 3.32Å; N964-C966 VanDerWaalsContact OD1-N 3.07Å; C966-V968 PolarHBondContact O-N 3.37Å; C966-F988 HydrophobicContact CB-CD1 4.06Å; C966-F988 HydrophobicContact CB-CE1 3.16Å; C966-F988 HydrophobicContact CB-CE2 4.06Å; C966-F988 HydrophobicContact CB-CZ 3.2Å; C966-F988 WeakPolarHBondContact SG-CE1 3.43Å; C966-F988 WeakPolarHBondContact SG-CZ 3.47Å; C966-S990 VanDerWaalsContact SG-CB 3.52Å
967K72.3Confident82.2Confident105 Ų10549.7 Ų49.746%0.45726%0.258SS..SBendtrans64.219.7178.6-58.5179.8171.6-178.90114.6E449 L963 N964E449-K967 IonicContact OE2-NZ 3.85Å; E449-K967 PolarHBondContact OE2-NZ 2.59Å; L963-K967 HydrophobicContact CD1-CB 4.37Å; N964-K967 PolarHBondContact O-N 2.98Å; N964-K967 PolarHBondContact OD1-N 3.29Å
968V73.1Confident82.3Confident3 Ų352.4 Ų52.42%0.01827%0.267CS..SBendtrans-100.9143.9173.8179.10000110.2M940 L963 N964 C966 Q970 F988M940-V968 HydrophobicContact SD-CG2 3.94Å; L963-V968 CarbonylContact C-O 3.54Å; L963-V968 VanDerWaalsContact CA-O 3.29Å; L963-V968 WeakPolarHBondContact CA-O 3.49Å; N964-V968 PolarHBondContact N-O 2.82Å; N964-V968 PolarHBondContact OD1-N 3.06Å; N964-V968 PolarHBondContact OD1-O 3.35Å; N964-V968 VanDerWaalsContact OD1-O 3.08Å; C966-V968 PolarHBondContact O-N 3.37Å; V968-Q970 PolarHBondContact O-N 2.92Å; V968-F988 HydrophobicContact CG2-CD1 4.2Å; V968-F988 HydrophobicContact CG2-CG 4.26Å
969P76.6Confident82.5Confident14 Ų1449.4 Ų49.49%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-57.6133.9178.7-27.237.1000113.8L950 F951 F959 L963L950-P969 WeakPolarHBondContact O-CD 3.38Å; F951-P969 HydrophobicContact CD1-CG 3.55Å; F951-P969 HydrophobicContact CE1-CG 3.83Å; F951-P969 HydrophobicContact CG-CG 4.45Å; F959-P969 HydrophobicContact CB-CB 3.82Å; F959-P969 HydrophobicContact CD1-CB 3.95Å; F959-P969 HydrophobicContact CG-CB 4.09Å; L963-P969 HydrophobicContact CD2-CB 4.49Å; L963-P969 HydrophobicContact CD2-CG 4.07Å
970Q86.2Confident82.6Confident45 Ų4549.9 Ų49.921%0.2126%0.257CS..EExtended strand (participates in β ladder)trans-72.6136.1176.7-66178-2.900110.9F959 S960 T962 L963 N964 V968 R972F959-Q970 CarbonylContact C-O 3.6Å; F959-Q970 WeakPolarHBondContact CA-O 3.4Å; S960-Q970 WeakPolarHBondContact CB-O 3.44Å; S960-Q970 PolarHBondContact N-O 3.03Å; T962-Q970 WeakPolarHBondContact O-CB 3.5Å; T962-Q970 WeakPolarHBondContact O-CG 3.48Å; T962-Q970 PolarHBondContact O-N 2.96Å; T962-Q970 PolarHBondContact OG1-OE1 3.16Å; L963-Q970 PolarHBondContact O-NE2 3.17Å; N964-Q970 HydrophobicContact CB-CG 4.2Å; V968-Q970 PolarHBondContact O-N 2.92Å; Q970-R972 PolarHBondContact O-N 3.2Å
971I89.2Confident82.7Confident8 Ų852.2 Ų52.24%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-66.9133.6174.5-61175.2000110.1I957 F959 A974 L979 R982 F993 F2379 R2383I957-I971 HydrophobicContact CD1-CD1 3.68Å; I957-I971 HydrophobicContact CD1-CG1 3.99Å; I957-I971 HydrophobicContact CG1-CG1 4.44Å; I957-I971 HydrophobicContact CG1-CG2 4.47Å; F959-I971 HydrophobicContact CD1-CG1 4.09Å; F959-I971 HydrophobicContact CE1-CG1 3.87Å; I971-A974 HydrophobicContact CG2-CB 3.85Å; I971-L979 HydrophobicContact CD1-CD2 4Å; I971-L979 HydrophobicContact CG2-CD2 4.42Å; I971-R982 HydrophobicContact CD1-CG 4.18Å; I971-F993 HydrophobicContact CD1-CE2 3.93Å; I971-F2379 HydrophobicContact CB-CD1 4.35Å; I971-F2379 HydrophobicContact CG2-CB 4.02Å; I971-R2383 PolarHBondContact O-NH2 3.29Å
972R89.2Confident83.2Confident90 Ų9044.9 Ų44.934%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-92.2-52.6166.2-68.8-172.2-73.8168.9-2.7110.8D953 K958 F959 Q970 F2379 C2380D953-R972 IonicContact OD2-NH2 2.68Å; D953-R972 PolarHBondContact OD2-NH2 3.49Å; D953-R972 VanDerWaalsContact OD2-NH2 3.13Å; K958-R972 PolarHBondContact O-N 3.34Å; F959-R972 VanDerWaalsContact O-CZ 3.22Å; F959-R972 PolarHBondContact O-NE 3.12Å; F959-R972 PolarHBondContact O-NH2 3.03Å; Q970-R972 PolarHBondContact O-N 3.2Å; R972-F2379 PolarHBondContact O-N 3.24Å; R972-C2380 PolarHBondContact O-N 3.3Å; R972-C2380 VanDerWaalsContact O-N 3.12Å
973Y92.3Very high83.6Confident73 Ų7341.7 Ų41.729%0.28621%0.213SC..EExtended strand (participates in β ladder)trans-138143.4-177.6-52.3-77.4000110.1I957 K958 T2372 V2377 N2378I957-Y973 CarbonylContact C-O 3.56Å; I957-Y973 WeakPolarHBondContact CA-O 3.43Å; K958-Y973 HydrophobicContact CB-CD2 4.31Å; K958-Y973 HydrophobicContact CD-CD2 4.41Å; K958-Y973 PolarHBondContact N-O 2.94Å; K958-Y973 PolarHBondContact O-N 2.98Å; Y973-T2372 HydrophobicContact CD1-CG2 3.44Å; Y973-T2372 VanDerWaalsContact CD1-CG2 3.44Å; Y973-T2372 HydrophobicContact CE1-CG2 3.48Å; Y973-T2372 VanDerWaalsContact CE1-CG2 3.48Å; Y973-T2372 HydrophobicContact CG-CG2 4.33Å; Y973-V2377 VanDerWaalsContact CA-O 3.26Å; Y973-V2377 WeakPolarHBondContact CA-O 3.42Å; Y973-N2378 HydrophobicContact CD1-CB 4.2Å; Y973-N2378 HydrophobicContact CE1-CB 4.12Å
974A92.4Very high83.4Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-157155.6173.200000112.4D956 I957 I971 R978 L979 L2376 V2377D956-A974 CarbonylContact O-C 3.48Å; D956-A974 WeakPolarHBondContact O-CA 3.27Å; I957-A974 HydrophobicContact CB-CB 4.18Å; I957-A974 HydrophobicContact CD1-CB 4.31Å; I957-A974 HydrophobicContact CG1-CB 4.06Å; I971-A974 HydrophobicContact CG2-CB 3.85Å; A974-R978 HydrophobicContact CB-CB 4.37Å; A974-L979 HydrophobicContact CB-CD2 3.83Å; A974-L979 HydrophobicContact CB-CG 3.78Å; A974-L2376 CarbonylContact O-C 3.31Å; A974-V2377 PolarHBondContact N-O 2.77Å; A974-V2377 VanDerWaalsContact N-O 3.11Å; A974-V2377 WeakPolarHBondContact O-CB 3.21Å; A974-V2377 PolarHBondContact O-N 2.77Å
975T92.5Very high83.3Confident31 Ų3138 Ų3819%0.1919%0.194CC..  trans-66.5158164.763.80000110.5D956 S977 R978 L979 L2376D956-T975 HydrophobicContact CB-CG2 3.9Å; D956-T975 PolarHBondContact O-N 2.77Å; T975-S977 PolarHBondContact O-N 3.09Å; T975-R978 PolarHBondContact O-N 2.75Å; T975-R978 WeakPolarHBondContact OG1-CG 3.48Å; T975-R978 PolarHBondContact OG1-N 2.96Å; T975-L979 PolarHBondContact O-N 2.76Å; T975-L979 VanDerWaalsContact O-N 3.08Å; T975-L2376 HydrophobicContact CG2-CD2 3.52Å
976V91.3Very high82.9Confident46 Ų4635.5 Ų35.528%0.27918%0.178SC..Hα-helixtrans-58-38.7176.2-1770000111L979 L980 F1004 V2377V976-L979 PolarHBondContact O-N 3.16Å; V976-L980 HydrophobicContact CG1-CD1 3.98Å; V976-L980 HydrophobicContact CG1-CG 4.49Å; V976-L980 WeakPolarHBondContact O-CG 3.16Å; V976-L980 PolarHBondContact O-N 3.43Å; V976-F1004 HydrophobicContact CG2-CD2 4.33Å; V976-V2377 HydrophobicContact CG2-CG2 3.84Å
977S89.1Confident82.6Confident70 Ų7038.9 Ų38.949%0.4919%0.189SC..Hα-helixtrans-58-55.8173.6-161.50000111.3T975 L979 L980 D981T975-S977 PolarHBondContact O-N 3.09Å; S977-L979 PolarHBondContact O-N 2.89Å; S977-L979 VanDerWaalsContact O-N 3.09Å; S977-L980 CarbonylContact O-C 3.59Å; S977-L980 WeakPolarHBondContact O-CA 3.41Å; S977-L980 PolarHBondContact O-N 2.79Å; S977-D981 PolarHBondContact O-N 3.42Å
978R89.5Confident82.3Confident69 Ų6936.1 Ų36.126%0.2618%0.177SC..Hα-helixtrans-64.2-19.8-178.4-61.9-61.1-169.5100.712.2113.8D954 D956 I957 A974 T975 D981 R982D954-R978 IonicContact OD2-CZ 3.32Å; D954-R978 IonicContact OD2-NH1 2.64Å; D954-R978 PolarHBondContact OD2-NH1 3.43Å; D954-R978 IonicContact OD2-NH2 2.66Å; D954-R978 PolarHBondContact OD2-NH2 2.66Å; D956-R978 HydrophobicContact CB-CG 3.54Å; D956-R978 IonicContact OD2-CZ 3.04Å; D956-R978 IonicContact OD2-NE 2.66Å; D956-R978 PolarHBondContact OD2-NE 2.62Å; D956-R978 IonicContact OD2-NH2 2.76Å; D956-R978 PolarHBondContact OD2-NH2 2.85Å; I957-R978 HydrophobicContact CB-CB 4.16Å; I957-R978 HydrophobicContact CB-CG 4.33Å; I957-R978 HydrophobicContact CD1-CB 4.33Å; I957-R978 HydrophobicContact CG2-CG 4.3Å; A974-R978 HydrophobicContact CB-CB 4.37Å; T975-R978 PolarHBondContact O-N 2.75Å; T975-R978 WeakPolarHBondContact OG1-CG 3.48Å; T975-R978 PolarHBondContact OG1-N 2.96Å; R978-D981 WeakPolarHBondContact CA-OD2 3.45Å; R978-D981 WeakPolarHBondContact CD-OD2 3.21Å; R978-D981 PolarHBondContact N-OD2 2.9Å; R978-R982 VanDerWaalsContact O-CB 3.26Å; R978-R982 WeakPolarHBondContact O-CB 3.19Å; R978-R982 PolarHBondContact O-N 3.36Å
979L92Very high82.2Confident0 Ų038.4 Ų38.40%019%0.189CC..Hα-helixtrans-76.5-39.5169.3-69.3173.6000112.3I971 A974 T975 V976 S977 R982 L983 F993 F997 F1004 V2377 F2379I971-L979 HydrophobicContact CD1-CD2 4Å; I971-L979 HydrophobicContact CG2-CD2 4.42Å; A974-L979 HydrophobicContact CB-CD2 3.83Å; A974-L979 HydrophobicContact CB-CG 3.78Å; T975-L979 PolarHBondContact O-N 2.76Å; T975-L979 VanDerWaalsContact O-N 3.08Å; V976-L979 PolarHBondContact O-N 3.16Å; S977-L979 PolarHBondContact O-N 2.89Å; S977-L979 VanDerWaalsContact O-N 3.09Å; L979-R982 PolarHBondContact O-N 2.98Å; L979-L983 PolarHBondContact O-N 3.33Å; L979-F993 HydrophobicContact CD2-CE2 3.81Å; L979-F993 HydrophobicContact CD2-CZ 3.99Å; L979-F997 HydrophobicContact CB-CD2 4.45Å; L979-F997 HydrophobicContact CB-CE2 4.02Å; L979-F1004 HydrophobicContact CD1-CD2 4.33Å; L979-F1004 HydrophobicContact CD1-CE2 3.79Å; L979-F1004 HydrophobicContact CD1-CZ 4.13Å; L979-V2377 HydrophobicContact CD1-CB 4Å; L979-V2377 HydrophobicContact CD1-CG1 4.11Å; L979-V2377 HydrophobicContact CD1-CG2 4.33Å; L979-F2379 HydrophobicContact CD1-CD2 4Å; L979-F2379 HydrophobicContact CD2-CB 4.39Å; L979-F2379 HydrophobicContact CD2-CD2 3.74Å; L979-F2379 HydrophobicContact CD2-CE2 4.18Å; L979-F2379 HydrophobicContact CD2-CG 4.01Å
980L90Very high82.4Confident19 Ų1938.2 Ų38.210%0.09919%0.188CC..Hα-helixtrans-70.8-44.3175.5-69167.6000111.4V976 S977 R982 L983 T984 F997 V1010 A1013V976-L980 HydrophobicContact CG1-CD1 3.98Å; V976-L980 HydrophobicContact CG1-CG 4.49Å; V976-L980 WeakPolarHBondContact O-CG 3.16Å; V976-L980 PolarHBondContact O-N 3.43Å; S977-L980 CarbonylContact O-C 3.59Å; S977-L980 WeakPolarHBondContact O-CA 3.41Å; S977-L980 PolarHBondContact O-N 2.79Å; L980-R982 PolarHBondContact O-N 3.41Å; L980-R982 VanDerWaalsContact O-N 3.12Å; L980-L983 HydrophobicContact CD2-CD2 4.47Å; L980-L983 WeakPolarHBondContact O-CA 3.24Å; L980-L983 VanDerWaalsContact O-CB 3.29Å; L980-L983 WeakPolarHBondContact O-CB 3.17Å; L980-L983 PolarHBondContact O-N 3.17Å; L980-T984 PolarHBondContact O-N 3.23Å; L980-T984 PolarHBondContact O-OG1 2.87Å; L980-T984 VanDerWaalsContact O-OG1 3.11Å; L980-F997 HydrophobicContact CD2-CZ 3.75Å; L980-V1010 HydrophobicContact CD2-CB 4.46Å; L980-V1010 HydrophobicContact CD2-CG2 4.12Å; L980-A1013 HydrophobicContact CB-CB 4.1Å; L980-A1013 HydrophobicContact CD1-CB 4.13Å; L980-A1013 HydrophobicContact CD2-CB 4.04Å; L980-A1013 HydrophobicContact CG-CB 4.32Å
981D85Confident82.3Confident76 Ų7639.9 Ų39.941%0.40620%0.198SC..Hα-helixtrans-54.2-31.8170.7-53.4-27.2000111.2S977 R978 T984 D985S977-D981 PolarHBondContact O-N 3.42Å; R978-D981 WeakPolarHBondContact CA-OD2 3.45Å; R978-D981 WeakPolarHBondContact CD-OD2 3.21Å; R978-D981 PolarHBondContact N-OD2 2.9Å; D981-T984 PolarHBondContact O-OG1 3.41Å; D981-D985 WeakPolarHBondContact O-CA 3.41Å; D981-D985 WeakPolarHBondContact O-CB 3.22Å; D981-D985 PolarHBondContact O-N 3.38Å
982R84.3Confident82.1Confident25 Ų2543 Ų439%0.09421%0.214CC..Hα-helixtrans-87.3-17.5178-166.953.4143.7-169.1-7.6114.4L950 I971 R978 L979 L980 T984 D985 F993L950-R982 VanDerWaalsContact CD2-NH2 3.34Å; I971-R982 HydrophobicContact CD1-CG 4.18Å; R978-R982 VanDerWaalsContact O-CB 3.26Å; R978-R982 WeakPolarHBondContact O-CB 3.19Å; R978-R982 PolarHBondContact O-N 3.36Å; L979-R982 PolarHBondContact O-N 2.98Å; L980-R982 PolarHBondContact O-N 3.41Å; L980-R982 VanDerWaalsContact O-N 3.12Å; R982-T984 VanDerWaalsContact C-N 3.29Å; R982-D985 IonicContact CZ-OD2 3.1Å; R982-D985 IonicContact NH1-OD2 3.39Å; R982-D985 PolarHBondContact NH1-OD2 3.44Å; R982-F993 HydrophobicContact CB-CE1 4.39Å; R982-F993 HydrophobicContact CB-CZ 4.2Å; R982-F993 HydrophobicContact CG-CE1 4.34Å; R982-F993 HydrophobicContact CG-CZ 4.26Å
983L85Confident82.1Confident4 Ų439.6 Ų39.62%0.02120%0.202CC..Hα-helixtrans-73-27.3167.8-170.867000110.8L979 L980 L989 F993 L994 F997 V1010 V2121L979-L983 PolarHBondContact O-N 3.33Å; L980-L983 HydrophobicContact CD2-CD2 4.47Å; L980-L983 WeakPolarHBondContact O-CA 3.24Å; L980-L983 VanDerWaalsContact O-CB 3.29Å; L980-L983 WeakPolarHBondContact O-CB 3.17Å; L980-L983 PolarHBondContact O-N 3.17Å; L983-L989 HydrophobicContact CD1-CD1 4.33Å; L983-F993 HydrophobicContact CB-CE1 4.44Å; L983-F993 HydrophobicContact CD1-CE1 4.44Å; L983-L994 HydrophobicContact CD1-CD1 3.57Å; L983-F997 HydrophobicContact CD1-CD1 4.22Å; L983-F997 HydrophobicContact CD2-CD1 4.15Å; L983-F997 HydrophobicContact CD2-CE1 3.8Å; L983-F997 HydrophobicContact CD2-CZ 4.31Å; L983-V1010 HydrophobicContact CD2-CG1 3.71Å; L983-V2121 HydrophobicContact CD1-CG1 4.28Å; L983-V2121 HydrophobicContact CD1-CG2 4.38Å; L983-V2121 HydrophobicContact CD2-CG1 4.27Å; L983-V2121 HydrophobicContact CG-CG1 4.25Å; L983-V2121 HydrophobicContact CG-CG2 4.39Å
984T73.9Confident82.1Confident19 Ų1936.6 Ų36.612%0.11719%0.191CC..Hα-helixtrans-111.3-12.1-174.655.90000115.5L980 D981 R982 A986 L1014 V1017L980-T984 PolarHBondContact O-N 3.23Å; L980-T984 PolarHBondContact O-OG1 2.87Å; L980-T984 VanDerWaalsContact O-OG1 3.11Å; D981-T984 PolarHBondContact O-OG1 3.41Å; R982-T984 VanDerWaalsContact C-N 3.29Å; T984-A986 PolarHBondContact O-N 3.16Å; T984-L1014 HydrophobicContact CG2-CD2 3.95Å; T984-V1017 HydrophobicContact CG2-CB 4.33Å; T984-V1017 HydrophobicContact CG2-CG2 3.93Å
985D73.4Confident82.1Confident13 Ų1338.4 Ų38.47%0.0720%0.201CC..  trans-37126.5179.6-173.6-56.2000112.8D981 R982 R987 F988D981-D985 WeakPolarHBondContact O-CA 3.41Å; D981-D985 WeakPolarHBondContact O-CB 3.22Å; D981-D985 PolarHBondContact O-N 3.38Å; R982-D985 IonicContact CZ-OD2 3.1Å; R982-D985 IonicContact NH1-OD2 3.39Å; R982-D985 PolarHBondContact NH1-OD2 3.44Å; D985-R987 PolarHBondContact O-N 2.88Å; D985-R987 WeakPolarHBondContact OD1-CB 3.48Å; D985-R987 IonicContact OD1-CZ 2.74Å; D985-R987 PolarHBondContact OD1-N 2.78Å; D985-R987 IonicContact OD1-NE 3.42Å; D985-R987 PolarHBondContact OD1-NE 3.12Å; D985-R987 IonicContact OD1-NH2 2.74Å; D985-R987 PolarHBondContact OD1-NH2 2.91Å; D985-R987 IonicContact OD2-CZ 3.39Å; D985-R987 IonicContact OD2-NE 3.98Å; D985-R987 IonicContact OD2-NH2 3.54Å; D985-R987 PolarHBondContact OD2-NH2 3.07Å; D985-F988 PolarHBondContact OD1-N 3.38Å
986A58.4Low82.1Confident23 Ų2337.2 Ų37.219%0.1919%0.193CC..SBendtrans-69.4-10.2-16900000113.9T984 E1024 R2117T984-A986 PolarHBondContact O-N 3.16Å; A986-E1024 WeakPolarHBondContact CB-OE1 3.13Å; A986-E1024 PolarHBondContact N-OE1 3.28Å; A986-R2117 PolarHBondContact O-NE 3.37Å; A986-R2117 PolarHBondContact O-NH2 3.46Å
987R58.6Low82.3Confident83 Ų8335 Ų3531%0.31318%0.18SC..SBendtrans-119.5-29.2-165-53.5154.2-60.1167.35.5112.1I944 D947 D985 E1024I944-R987 HydrophobicContact CD1-CB 3.98Å; D947-R987 IonicContact OD2-CZ 3.36Å; D947-R987 IonicContact OD2-NH1 3.02Å; D947-R987 PolarHBondContact OD2-NH1 3.2Å; D947-R987 IonicContact OD2-NH2 2.7Å; D985-R987 PolarHBondContact O-N 2.88Å; D985-R987 WeakPolarHBondContact OD1-CB 3.48Å; D985-R987 IonicContact OD1-CZ 2.74Å; D985-R987 PolarHBondContact OD1-N 2.78Å; D985-R987 IonicContact OD1-NE 3.42Å; D985-R987 PolarHBondContact OD1-NE 3.12Å; D985-R987 IonicContact OD1-NH2 2.74Å; D985-R987 PolarHBondContact OD1-NH2 2.91Å; D985-R987 IonicContact OD2-CZ 3.39Å; D985-R987 IonicContact OD2-NE 3.98Å; D985-R987 IonicContact OD2-NH2 3.54Å; D985-R987 PolarHBondContact OD2-NH2 3.07Å; R987-E1024 WeakPolarHBondContact CD-OE2 3.43Å; R987-E1024 IonicContact CZ-OE2 3.3Å; R987-E1024 IonicContact NE-OE1 2.64Å; R987-E1024 IonicContact NE-OE2 2.73Å; R987-E1024 PolarHBondContact NE-OE2 2.91Å
988F66.1Low82.5Confident48 Ų4831.7 Ų31.721%0.21116%0.157CC..  trans-158.9119.4177.1-149.9-83.5000117.7C966 V968 D985C966-F988 HydrophobicContact CB-CD1 4.06Å; C966-F988 HydrophobicContact CB-CE1 3.16Å; C966-F988 HydrophobicContact CB-CE2 4.06Å; C966-F988 HydrophobicContact CB-CZ 3.2Å; C966-F988 WeakPolarHBondContact SG-CE1 3.43Å; C966-F988 WeakPolarHBondContact SG-CZ 3.47Å; V968-F988 HydrophobicContact CG2-CD1 4.2Å; V968-F988 HydrophobicContact CG2-CG 4.26Å; D985-F988 PolarHBondContact OD1-N 3.38Å
989L72.3Confident82.7Confident51 Ų5128.7 Ų28.727%0.26715%0.146SC..  trans-121.2116.3167.1178.962.3000111L983 F993 L994 V2121L983-L989 HydrophobicContact CD1-CD1 4.33Å; L989-F993 HydrophobicContact CD1-CD1 3.8Å; L989-F993 HydrophobicContact CD1-CE1 4.41Å; L989-L994 HydrophobicContact CD1-CB 4.38Å; L989-L994 HydrophobicContact CD2-CD1 4.38Å; L989-L994 HydrophobicContact CD2-CD2 4.21Å; L989-V2121 HydrophobicContact CD2-CG2 3.62Å
990S80.7Confident82.8Confident9 Ų928.7 Ų28.76%0.06315%0.146CC..  trans-86.8136176.355.30000112.3N964 C966 D992 F993 L994N964-S990 WeakPolarHBondContact ND2-CB 3.44Å; N964-S990 PolarHBondContact ND2-OG 2.99Å; C966-S990 VanDerWaalsContact SG-CB 3.52Å; S990-D992 PolarHBondContact O-N 2.97Å; S990-F993 WeakPolarHBondContact O-CA 3.45Å; S990-F993 WeakPolarHBondContact O-CB 3.4Å; S990-F993 PolarHBondContact O-N 3.22Å; S990-F993 WeakPolarHBondContact OG-CB 3.48Å; S990-L994 PolarHBondContact O-N 3.12Å
991I83.4Confident83Confident81 Ų8128.2 Ų28.242%0.41514%0.143SC..Hα-helixtrans-55.1-35.3177-165.161.2000113F993 L994 N995 H2124I991-F993 PolarHBondContact O-N 3.33Å; I991-L994 HydrophobicContact CD1-CD2 4.37Å; I991-L994 PolarHBondContact O-N 3.41Å; I991-N995 VanDerWaalsContact O-CB 3.32Å; I991-N995 WeakPolarHBondContact O-CB 3.42Å; I991-N995 PolarHBondContact O-N 2.64Å; I991-N995 PolarHBondContact O-ND2 3.23Å; I991-H2124 VanDerWaalsContact CD1-CE1 3.41Å; I991-H2124 WeakPolarHBondContact CD1-CE1 3.39Å
992D84.3Confident83.3Confident73 Ų7327.6 Ų27.639%0.3914%0.135SC..Hα-helixtrans-63.7-40175-56.9-43.2000112.5S965 S990 T996S965-D992 VanDerWaalsContact CB-OD2 3.22Å; S965-D992 WeakPolarHBondContact CB-OD2 3.45Å; S965-D992 PolarHBondContact N-OD2 2.83Å; S965-D992 PolarHBondContact OG-OD2 3.09Å; S990-D992 PolarHBondContact O-N 2.97Å; D992-T996 VanDerWaalsContact O-CB 3.25Å; D992-T996 WeakPolarHBondContact O-CB 3.16Å; D992-T996 PolarHBondContact O-N 2.95Å; D992-T996 PolarHBondContact O-OG1 3.12Å
993F90.8Very high83.6Confident18 Ų1827.3 Ų27.38%0.07914%0.136CC..Hα-helixtrans-70.2-46.7176.8176.9-94.2000110.3I971 L979 R982 L983 L989 S990 I991 N995 T996 F997 F2379I971-F993 HydrophobicContact CD1-CE2 3.93Å; L979-F993 HydrophobicContact CD2-CE2 3.81Å; L979-F993 HydrophobicContact CD2-CZ 3.99Å; R982-F993 HydrophobicContact CB-CE1 4.39Å; R982-F993 HydrophobicContact CB-CZ 4.2Å; R982-F993 HydrophobicContact CG-CE1 4.34Å; R982-F993 HydrophobicContact CG-CZ 4.26Å; L983-F993 HydrophobicContact CB-CE1 4.44Å; L983-F993 HydrophobicContact CD1-CE1 4.44Å; L989-F993 HydrophobicContact CD1-CD1 3.8Å; L989-F993 HydrophobicContact CD1-CE1 4.41Å; S990-F993 WeakPolarHBondContact O-CA 3.45Å; S990-F993 WeakPolarHBondContact O-CB 3.4Å; S990-F993 PolarHBondContact O-N 3.22Å; S990-F993 WeakPolarHBondContact OG-CB 3.48Å; I991-F993 PolarHBondContact O-N 3.33Å; F993-N995 PolarHBondContact O-N 3.03Å; F993-T996 PolarHBondContact O-N 2.94Å; F993-F997 HydrophobicContact CE1-CB 4.39Å; F993-F997 HydrophobicContact CE1-CD2 4.44Å; F993-F997 HydrophobicContact CZ-CD2 4.14Å; F993-F997 WeakPolarHBondContact O-CB 3.29Å; F993-F997 PolarHBondContact O-N 3.21Å; F993-F2379 HydrophobicContact CD2-CD1 4.25Å; F993-F2379 AromaticContact CD2-CE1 3.38Å; F993-F2379 HydrophobicContact CD2-CE1 3.38Å; F993-F2379 AromaticContact CD2-CZ 3.54Å; F993-F2379 HydrophobicContact CD2-CZ 3.54Å; F993-F2379 HydrophobicContact CE2-CD1 4.18Å; F993-F2379 AromaticContact CE2-CE1 3.56Å; F993-F2379 HydrophobicContact CE2-CE1 3.56Å; F993-F2379 HydrophobicContact CE2-CE2 4.02Å; F993-F2379 AromaticContact CE2-CZ 3.45Å; F993-F2379 HydrophobicContact CE2-CZ 3.45Å; F993-F2379 VanDerWaalsContact CE2-CZ 3.45Å; F993-F2379 HydrophobicContact CG-CE1 4.46Å; F993-F2379 HydrophobicContact CG-CZ 4.43Å; F993-F2379 HydrophobicContact CZ-CZ 4.31Å
994L91.4Very high83.9Confident10 Ų1028.3 Ų28.35%0.05214%0.14CC..Hα-helixtrans-58.1-48.8178.1-178.659.4000111.5L983 L989 S990 I991 F997 L998 V2121 H2124L983-L994 HydrophobicContact CD1-CD1 3.57Å; L989-L994 HydrophobicContact CD1-CB 4.38Å; L989-L994 HydrophobicContact CD2-CD1 4.38Å; L989-L994 HydrophobicContact CD2-CD2 4.21Å; S990-L994 PolarHBondContact O-N 3.12Å; I991-L994 HydrophobicContact CD1-CD2 4.37Å; I991-L994 PolarHBondContact O-N 3.41Å; L994-F997 PolarHBondContact O-N 2.94Å; L994-L998 HydrophobicContact CD1-CD1 3.61Å; L994-L998 HydrophobicContact CD1-CG 4.06Å; L994-L998 HydrophobicContact CG-CD1 4.05Å; L994-L998 WeakPolarHBondContact O-CB 3.45Å; L994-L998 WeakPolarHBondContact O-CG 3.46Å; L994-L998 PolarHBondContact O-N 3.37Å; L994-V2121 HydrophobicContact CD1-CG1 4.19Å; L994-V2121 HydrophobicContact CD1-CG2 4.29Å; L994-H2124 HydrophobicContact CD2-CB 3.87Å
995N91.6Very high84.9Confident39 Ų3928.6 Ų28.621%0.20914%0.141CC..Hα-helixtrans-61.8-45.6174.6-76.1-29.8000112.3I991 F993 L999 H2124I991-N995 VanDerWaalsContact O-CB 3.32Å; I991-N995 WeakPolarHBondContact O-CB 3.42Å; I991-N995 PolarHBondContact O-N 2.64Å; I991-N995 PolarHBondContact O-ND2 3.23Å; F993-N995 PolarHBondContact O-N 3.03Å; N995-L999 WeakPolarHBondContact O-CB 3.47Å; N995-L999 PolarHBondContact O-N 2.9Å; N995-H2124 PolarHBondContact OD1-CE1 3.27Å; N995-H2124 PolarHBondContact OD1-NE2 3.22Å
996T93.4Very high85.8Confident5 Ų531.6 Ų31.63%0.03116%0.16CC..Hα-helixtrans-63.2-43.3178.6-59.20000111.1D992 F993 T1000 F2379 M2382 R2383 A2386D992-T996 VanDerWaalsContact O-CB 3.25Å; D992-T996 WeakPolarHBondContact O-CB 3.16Å; D992-T996 PolarHBondContact O-N 2.95Å; D992-T996 PolarHBondContact O-OG1 3.12Å; F993-T996 PolarHBondContact O-N 2.94Å; T996-T1000 WeakPolarHBondContact O-CB 3.32Å; T996-T1000 WeakPolarHBondContact O-CG2 3.23Å; T996-T1000 PolarHBondContact O-N 2.83Å; T996-T1000 PolarHBondContact O-OG1 3.23Å; T996-F2379 HydrophobicContact CG2-CE1 3.79Å; T996-F2379 HydrophobicContact CG2-CE2 4.26Å; T996-F2379 HydrophobicContact CG2-CZ 3.57Å; T996-M2382 HydrophobicContact CG2-CB 4.3Å; T996-R2383 HydrophobicContact CG2-CB 4.24Å; T996-A2386 HydrophobicContact CG2-CB 3.96Å
997F95Very high87.4Confident0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-66-54.7-178.6-176.7-83.8000110.7L979 L980 L983 F993 L994 L999 T1000 Y1001 F1004 T1005 V1010 F2379L979-F997 HydrophobicContact CB-CD2 4.45Å; L979-F997 HydrophobicContact CB-CE2 4.02Å; L980-F997 HydrophobicContact CD2-CZ 3.75Å; L983-F997 HydrophobicContact CD1-CD1 4.22Å; L983-F997 HydrophobicContact CD2-CD1 4.15Å; L983-F997 HydrophobicContact CD2-CE1 3.8Å; L983-F997 HydrophobicContact CD2-CZ 4.31Å; F993-F997 HydrophobicContact CE1-CB 4.39Å; F993-F997 HydrophobicContact CE1-CD2 4.44Å; F993-F997 HydrophobicContact CZ-CD2 4.14Å; F993-F997 WeakPolarHBondContact O-CB 3.29Å; F993-F997 PolarHBondContact O-N 3.21Å; L994-F997 PolarHBondContact O-N 2.94Å; F997-L999 VanDerWaalsContact C-N 3.3Å; F997-L999 PolarHBondContact O-N 2.86Å; F997-T1000 CarbonylContact O-C 3.53Å; F997-T1000 PolarHBondContact O-N 3.15Å; F997-Y1001 WeakPolarHBondContact O-CB 3.47Å; F997-Y1001 PolarHBondContact O-N 2.98Å; F997-F1004 HydrophobicContact CD2-CE2 4.33Å; F997-F1004 AromaticContact CD2-CZ 3.91Å; F997-F1004 HydrophobicContact CD2-CZ 3.91Å; F997-F1004 AromaticContact CE2-CE2 3.75Å; F997-F1004 HydrophobicContact CE2-CE2 3.75Å; F997-F1004 AromaticContact CE2-CZ 3.79Å; F997-F1004 HydrophobicContact CE2-CZ 3.79Å; F997-F1004 HydrophobicContact CZ-CE2 4.35Å; F997-T1005 HydrophobicContact CZ-CG2 4.38Å; F997-V1010 HydrophobicContact CE1-CG1 4.29Å; F997-V1010 HydrophobicContact CE1-CG2 3.79Å; F997-V1010 HydrophobicContact CZ-CG2 4.04Å; F997-F2379 HydrophobicContact CB-CE2 4.38Å; F997-F2379 HydrophobicContact CB-CZ 4.25Å; F997-F2379 HydrophobicContact CD2-CE2 4.23Å
998L94Very high89.1Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-63.6-35.9-178.6-67.3174.9000112.4L994 T1000 Y1001 W2125 F2129L994-L998 HydrophobicContact CD1-CD1 3.61Å; L994-L998 HydrophobicContact CD1-CG 4.06Å; L994-L998 HydrophobicContact CG-CD1 4.05Å; L994-L998 WeakPolarHBondContact O-CB 3.45Å; L994-L998 WeakPolarHBondContact O-CG 3.46Å; L994-L998 PolarHBondContact O-N 3.37Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.22Å; L998-Y1001 VanDerWaalsContact O-CD1 3.25Å; L998-Y1001 WeakPolarHBondContact O-CD1 3.39Å; L998-W2125 HydrophobicContact CD1-CB 3.9Å; L998-W2125 HydrophobicContact CD1-CG 4.07Å; L998-W2125 HydrophobicContact CD2-CB 4.34Å; L998-W2125 HydrophobicContact CD2-CD2 3.66Å; L998-W2125 HydrophobicContact CD2-CE3 4.13Å; L998-W2125 HydrophobicContact CD2-CG 3.75Å; L998-F2129 HydrophobicContact CB-CD2 3.78Å; L998-F2129 HydrophobicContact CB-CE2 3.52Å; L998-F2129 HydrophobicContact CB-CZ 4.09Å; L998-F2129 HydrophobicContact CD1-CD2 4.05Å; L998-F2129 HydrophobicContact CD1-CE2 3.87Å; L998-F2129 HydrophobicContact CG-CE2 4.37Å
999L93.4Very high90.3Very high6 Ų629.9 Ų29.93%0.03116%0.161CC..Hα-helixtrans-71.1-13.9175.2-172.254.7000114.1N995 F997 F2129 L2227 A2386 I2389 R2390N995-L999 WeakPolarHBondContact O-CB 3.47Å; N995-L999 PolarHBondContact O-N 2.9Å; F997-L999 VanDerWaalsContact C-N 3.3Å; F997-L999 PolarHBondContact O-N 2.86Å; L999-F2129 HydrophobicContact CB-CE1 4.04Å; L999-F2129 HydrophobicContact CB-CZ 4.41Å; L999-F2129 HydrophobicContact CD1-CE1 4.12Å; L999-L2227 WeakPolarHBondContact O-CD1 3.45Å; L999-A2386 HydrophobicContact CD2-CB 4.02Å; L999-I2389 HydrophobicContact CD1-CG2 4.04Å; L999-I2389 HydrophobicContact CD2-CB 4.24Å; L999-I2389 HydrophobicContact CD2-CG2 4.1Å; L999-I2389 HydrophobicContact CG-CG2 4.46Å; L999-R2390 HydrophobicContact CD2-CG 3.92Å
1000T94.3Very high91.3Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-134.4-1.3-173.665.20000116T996 F997 L998 R1002 V1003 F1004 L2227 M2382 A2386T996-T1000 WeakPolarHBondContact O-CB 3.32Å; T996-T1000 WeakPolarHBondContact O-CG2 3.23Å; T996-T1000 PolarHBondContact O-N 2.83Å; T996-T1000 PolarHBondContact O-OG1 3.23Å; F997-T1000 CarbonylContact O-C 3.53Å; F997-T1000 PolarHBondContact O-N 3.15Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.22Å; T1000-R1002 PolarHBondContact O-N 3.27Å; T1000-R1002 VanDerWaalsContact O-N 3.08Å; T1000-V1003 VanDerWaalsContact O-CB 3.26Å; T1000-V1003 WeakPolarHBondContact O-CB 3.25Å; T1000-V1003 VanDerWaalsContact O-CG2 3.28Å; T1000-V1003 WeakPolarHBondContact O-CG2 3.45Å; T1000-V1003 PolarHBondContact O-N 3.06Å; T1000-F1004 WeakPolarHBondContact O-CE1 3.48Å; T1000-L2227 HydrophobicContact CG2-CD2 4.35Å; T1000-M2382 HydrophobicContact CG2-CB 4.26Å; T1000-A2386 HydrophobicContact CG2-CB 4.08Å
1001Y94.4Very high91.9Very high9 Ų927.3 Ų27.34%0.03515%0.146CC..G310 helixtrans-55-37.5-173.776.5-97.9000112.3F997 L998 V1003 F1004 T1005 G1007 W2125F997-Y1001 WeakPolarHBondContact O-CB 3.47Å; F997-Y1001 PolarHBondContact O-N 2.98Å; L998-Y1001 VanDerWaalsContact O-CD1 3.25Å; L998-Y1001 WeakPolarHBondContact O-CD1 3.39Å; Y1001-V1003 PolarHBondContact O-N 2.76Å; Y1001-F1004 PolarHBondContact O-N 2.79Å; Y1001-T1005 CarbonylContact C-O 3.44Å; Y1001-T1005 HydrophobicContact CD2-CG2 4.23Å; Y1001-T1005 PolarHBondContact O-N 3.21Å; Y1001-G1007 VanDerWaalsContact CE2-N 3.26Å; Y1001-W2125 AromaticContact CE1-CZ2 3.83Å; Y1001-W2125 HydrophobicContact CE1-CZ2 3.83Å; Y1001-W2125 AromaticContact CZ-CZ2 3.96Å
1002R90.9Very high92.3Very high63 Ų6328.1 Ų28.124%0.23815%0.145CC..G310 helixtrans-53.3-16.6176.9-64.3173.9170.284.1-21.9114.3T1000 D2132 E2224T1000-R1002 PolarHBondContact O-N 3.27Å; T1000-R1002 VanDerWaalsContact O-N 3.08Å; R1002-D2132 IonicContact CZ-OD1 3.7Å; R1002-D2132 VanDerWaalsContact CZ-OD1 3.27Å; R1002-D2132 IonicContact CZ-OD2 3.21Å; R1002-D2132 IonicContact NH1-OD1 2.75Å; R1002-D2132 PolarHBondContact NH1-OD1 3.42Å; R1002-D2132 IonicContact NH1-OD2 3.19Å; R1002-D2132 PolarHBondContact NH1-OD2 3.22Å; R1002-D2132 IonicContact NH2-OD1 3.02Å; R1002-D2132 PolarHBondContact NH2-OD1 3.46Å; R1002-D2132 IonicContact NH2-OD2 2.67Å; R1002-E2224 IonicContact CZ-OE1 3.45Å; R1002-E2224 IonicContact NE-OE1 2.72Å; R1002-E2224 PolarHBondContact NE-OE1 3.11Å; R1002-E2224 IonicContact NH2-OE1 2.99Å; R1002-E2224 PolarHBondContact NH2-OE1 2.94Å
1003V90.5Very high92.5Very high19 Ų1925.3 Ų25.312%0.11513%0.131CC..G310 helixtrans-80.8-21.1177.4-176.90000112.5T1000 Y1001 L2227 N2228 N2370 M2382T1000-V1003 VanDerWaalsContact O-CB 3.26Å; T1000-V1003 WeakPolarHBondContact O-CB 3.25Å; T1000-V1003 VanDerWaalsContact O-CG2 3.28Å; T1000-V1003 WeakPolarHBondContact O-CG2 3.45Å; T1000-V1003 PolarHBondContact O-N 3.06Å; Y1001-V1003 PolarHBondContact O-N 2.76Å; V1003-L2227 HydrophobicContact CG2-CD2 4.33Å; V1003-N2228 WeakPolarHBondContact CG1-OD1 3.4Å; V1003-N2370 HydrophobicContact CG1-CB 4.33Å; V1003-N2370 WeakPolarHBondContact CG1-ND2 3.24Å; V1003-M2382 HydrophobicContact CB-CE 4.27Å; V1003-M2382 HydrophobicContact CB-SD 4.07Å; V1003-M2382 HydrophobicContact CG1-CE 3.51Å; V1003-M2382 HydrophobicContact CG1-SD 3.8Å; V1003-M2382 HydrophobicContact CG2-SD 4.38Å
1004F92Very high92.5Very high26 Ų2624.5 Ų24.511%0.11413%0.128CC..THydrogen-bonded Turntrans-145.7-5.8-172.260.9-95.9000115.9V976 L979 F997 T1000 Y1001 V2377 F2379 M2382V976-F1004 HydrophobicContact CG2-CD2 4.33Å; L979-F1004 HydrophobicContact CD1-CD2 4.33Å; L979-F1004 HydrophobicContact CD1-CE2 3.79Å; L979-F1004 HydrophobicContact CD1-CZ 4.13Å; F997-F1004 HydrophobicContact CD2-CE2 4.33Å; F997-F1004 AromaticContact CD2-CZ 3.91Å; F997-F1004 HydrophobicContact CD2-CZ 3.91Å; F997-F1004 AromaticContact CE2-CE2 3.75Å; F997-F1004 HydrophobicContact CE2-CE2 3.75Å; F997-F1004 AromaticContact CE2-CZ 3.79Å; F997-F1004 HydrophobicContact CE2-CZ 3.79Å; F997-F1004 HydrophobicContact CZ-CE2 4.35Å; T1000-F1004 WeakPolarHBondContact O-CE1 3.48Å; Y1001-F1004 PolarHBondContact O-N 2.79Å; F1004-V2377 HydrophobicContact CB-CG1 3.92Å; F1004-V2377 HydrophobicContact CB-CG2 3.91Å; F1004-V2377 HydrophobicContact CD1-CG1 3.75Å; F1004-V2377 HydrophobicContact CD2-CG1 4.15Å; F1004-V2377 HydrophobicContact CD2-CG2 4.13Å; F1004-V2377 HydrophobicContact CE1-CG1 4.3Å; F1004-V2377 HydrophobicContact CG-CG1 3.67Å; F1004-V2377 HydrophobicContact CG-CG2 4.11Å; F1004-F2379 HydrophobicContact CZ-CE2 4.43Å; F1004-M2382 HydrophobicContact CD1-CE 4.4Å; F1004-M2382 HydrophobicContact CD1-CG 4.32Å; F1004-M2382 HydrophobicContact CD1-SD 4.45Å; F1004-M2382 HydrophobicContact CE1-CG 4.13Å
1005T93.3Very high92.4Very high24 Ų2426.7 Ų26.715%0.14714%0.139CC..SBendtrans-158.3175.7176.6-165.20000110.9F997 Y1001 S1009 V1010F997-T1005 HydrophobicContact CZ-CG2 4.38Å; Y1001-T1005 CarbonylContact C-O 3.44Å; Y1001-T1005 HydrophobicContact CD2-CG2 4.23Å; Y1001-T1005 PolarHBondContact O-N 3.21Å; T1005-S1009 WeakPolarHBondContact OG1-CB 3.37Å; T1005-V1010 HydrophobicContact CG2-CG2 4.3Å
1006T93Very high92Very high76 Ų7628.3 Ų28.347%0.46615%0.146SC..  trans-109.9157.7179.171.60000111.3L1008 S1009 V1010T1006-L1008 PolarHBondContact O-N 2.9Å; T1006-S1009 WeakPolarHBondContact O-CB 3.22Å; T1006-S1009 PolarHBondContact O-N 3.36Å; T1006-S1009 VanDerWaalsContact O-N 3.1Å; T1006-S1009 PolarHBondContact OG1-N 2.88Å; T1006-S1009 PolarHBondContact OG1-OG 2.92Å; T1006-S1009 VanDerWaalsContact OG1-OG 3.13Å; T1006-V1010 PolarHBondContact O-N 2.76Å
1007G92.3Very high91.5Very high4 Ų429.6 Ų29.64%0.04115%0.153CC..Hα-helixtrans-64.2-32.8179.100000112Y1001 S1009 V1010 I1011Y1001-G1007 VanDerWaalsContact CE2-N 3.26Å; G1007-S1009 VanDerWaalsContact C-N 3.34Å; G1007-S1009 PolarHBondContact O-N 3.21Å; G1007-V1010 WeakPolarHBondContact O-CB 3.42Å; G1007-V1010 PolarHBondContact O-N 3.27Å; G1007-V1010 VanDerWaalsContact O-N 3.11Å; G1007-I1011 PolarHBondContact O-N 3.32Å
1008L93.2Very high90.8Very high68 Ų6831.1 Ų31.136%0.35616%0.162SC..Hα-helixtrans-61.5-39172.8-60.2177.1000112.1T1006 V1010 I1011 W1012 V2138 L2139 E2142T1006-L1008 PolarHBondContact O-N 2.9Å; L1008-V1010 VanDerWaalsContact C-N 3.32Å; L1008-V1010 PolarHBondContact O-N 2.97Å; L1008-I1011 PolarHBondContact O-N 3.46Å; L1008-W1012 WeakPolarHBondContact O-CB 3.34Å; L1008-W1012 PolarHBondContact O-N 3.22Å; L1008-V2138 HydrophobicContact CD2-CG1 4.35Å; L1008-L2139 HydrophobicContact CD2-CD1 4.43Å; L1008-E2142 HydrophobicContact CD2-CB 4.22Å; L1008-E2142 HydrophobicContact CD2-CG 3.77Å
1009S92.1Very high90.1Very high47 Ų4734.3 Ų34.333%0.32919%0.188SC..Hα-helixtrans-65.7-33.5173-60.40000112.8T1005 T1006 G1007 A1013T1005-S1009 WeakPolarHBondContact OG1-CB 3.37Å; T1006-S1009 WeakPolarHBondContact O-CB 3.22Å; T1006-S1009 PolarHBondContact O-N 3.36Å; T1006-S1009 VanDerWaalsContact O-N 3.1Å; T1006-S1009 PolarHBondContact OG1-N 2.88Å; T1006-S1009 PolarHBondContact OG1-OG 2.92Å; T1006-S1009 VanDerWaalsContact OG1-OG 3.13Å; G1007-S1009 VanDerWaalsContact C-N 3.34Å; G1007-S1009 PolarHBondContact O-N 3.21Å; S1009-A1013 PolarHBondContact O-N 3.01Å; S1009-A1013 VanDerWaalsContact O-N 3.09Å
1010V94.2Very high89.1Confident0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-68.9-47.7174.2-176.20000110.7L980 L983 F997 T1005 T1006 G1007 L1008 W1012 A1013 L1014 W2125L980-V1010 HydrophobicContact CD2-CB 4.46Å; L980-V1010 HydrophobicContact CD2-CG2 4.12Å; L983-V1010 HydrophobicContact CD2-CG1 3.71Å; F997-V1010 HydrophobicContact CE1-CG1 4.29Å; F997-V1010 HydrophobicContact CE1-CG2 3.79Å; F997-V1010 HydrophobicContact CZ-CG2 4.04Å; T1005-V1010 HydrophobicContact CG2-CG2 4.3Å; T1006-V1010 PolarHBondContact O-N 2.76Å; G1007-V1010 WeakPolarHBondContact O-CB 3.42Å; G1007-V1010 PolarHBondContact O-N 3.27Å; G1007-V1010 VanDerWaalsContact O-N 3.11Å; L1008-V1010 VanDerWaalsContact C-N 3.32Å; L1008-V1010 PolarHBondContact O-N 2.97Å; V1010-W1012 VanDerWaalsContact C-N 3.32Å; V1010-W1012 PolarHBondContact O-N 3.36Å; V1010-A1013 PolarHBondContact O-N 3.06Å; V1010-L1014 HydrophobicContact CG1-CD1 4.22Å; V1010-L1014 WeakPolarHBondContact O-CG 3.48Å; V1010-L1014 PolarHBondContact O-N 3.24Å; V1010-W2125 HydrophobicContact CB-CH2 3.9Å; V1010-W2125 HydrophobicContact CB-CZ3 3.97Å; V1010-W2125 HydrophobicContact CG1-CE3 4.41Å; V1010-W2125 HydrophobicContact CG1-CH2 4.03Å; V1010-W2125 HydrophobicContact CG1-CZ3 3.64Å
1011I93.5Very high87.4Confident5 Ų540 Ų403%0.02622%0.22CC..Hα-helixtrans-60.1-41175.5-69.8-177.7000111.3G1007 L1008 L1014 N1015 W2125 L2139 E2142 M2143 L2146G1007-I1011 PolarHBondContact O-N 3.32Å; L1008-I1011 PolarHBondContact O-N 3.46Å; I1011-L1014 PolarHBondContact O-N 2.69Å; I1011-N1015 WeakPolarHBondContact O-CB 3.36Å; I1011-N1015 PolarHBondContact O-N 3.1Å; I1011-N1015 PolarHBondContact O-ND2 3.08Å; I1011-W2125 HydrophobicContact CG1-CH2 4.39Å; I1011-W2125 HydrophobicContact CG1-CZ3 4.06Å; I1011-L2139 HydrophobicContact CD1-CD1 3.58Å; I1011-L2139 HydrophobicContact CD1-CG 4.48Å; I1011-L2139 HydrophobicContact CG1-CD1 4.24Å; I1011-E2142 HydrophobicContact CD1-CB 4Å; I1011-E2142 HydrophobicContact CG2-CB 4.39Å; I1011-M2143 HydrophobicContact CD1-CB 4Å; I1011-M2143 HydrophobicContact CD1-CE 3.94Å; I1011-M2143 HydrophobicContact CG1-CE 4.01Å; I1011-L2146 HydrophobicContact CG2-CD2 4.35Å
1012W90.5Very high85.2Confident99 Ų9943.5 Ų43.538%0.37524%0.24SC..Hα-helixtrans-60.5-45.5175.2-178.387.3000111.9L1008 V1010 L1014 N1015 Q1016 P1135L1008-W1012 WeakPolarHBondContact O-CB 3.34Å; L1008-W1012 PolarHBondContact O-N 3.22Å; V1010-W1012 VanDerWaalsContact C-N 3.32Å; V1010-W1012 PolarHBondContact O-N 3.36Å; W1012-L1014 PolarHBondContact O-N 3.36Å; W1012-N1015 PolarHBondContact O-N 3.18Å; W1012-Q1016 HydrophobicContact CD2-CG 4.09Å; W1012-Q1016 HydrophobicContact CE3-CG 4.19Å; W1012-Q1016 HydrophobicContact CH2-CG 4.16Å; W1012-Q1016 HydrophobicContact CZ2-CG 4.05Å; W1012-Q1016 HydrophobicContact CZ3-CG 4.22Å; W1012-Q1016 WeakPolarHBondContact O-CG 3.2Å; W1012-Q1016 PolarHBondContact O-N 2.81Å; W1012-P1135 HydrophobicContact CZ2-CG 4.01Å
1013A88.6Confident83.1Confident13 Ų1346.3 Ų46.311%0.10726%0.263CS..Hα-helixtrans-64.1-38.417700000112.9L980 S1009 V1010 Q1016 V1017L980-A1013 HydrophobicContact CB-CB 4.1Å; L980-A1013 HydrophobicContact CD1-CB 4.13Å; L980-A1013 HydrophobicContact CD2-CB 4.04Å; L980-A1013 HydrophobicContact CG-CB 4.32Å; S1009-A1013 PolarHBondContact O-N 3.01Å; S1009-A1013 VanDerWaalsContact O-N 3.09Å; V1010-A1013 PolarHBondContact O-N 3.06Å; A1013-Q1016 PolarHBondContact O-N 2.68Å; A1013-V1017 PolarHBondContact O-N 2.92Å
1014L91.1Very high80.6Confident1 Ų148.5 Ų48.51%0.00527%0.273CS..Hα-helixtrans-63.9-43.3174-67.4170000111.6T984 V1010 I1011 W1012 Q1016 V1017 L1018 V2118 V2121 V2122 L2146T984-L1014 HydrophobicContact CG2-CD2 3.95Å; V1010-L1014 HydrophobicContact CG1-CD1 4.22Å; V1010-L1014 WeakPolarHBondContact O-CG 3.48Å; V1010-L1014 PolarHBondContact O-N 3.24Å; I1011-L1014 PolarHBondContact O-N 2.69Å; W1012-L1014 PolarHBondContact O-N 3.36Å; L1014-Q1016 PolarHBondContact O-N 3.3Å; L1014-V1017 PolarHBondContact O-N 2.99Å; L1014-L1018 PolarHBondContact O-N 2.93Å; L1014-L1018 VanDerWaalsContact O-N 3.09Å; L1014-V2118 HydrophobicContact CB-CG1 4.02Å; L1014-V2118 HydrophobicContact CD2-CB 4.43Å; L1014-V2118 HydrophobicContact CD2-CG1 4.16Å; L1014-V2118 HydrophobicContact CD2-CG2 4.02Å; L1014-V2121 HydrophobicContact CD1-CG1 4.17Å; L1014-V2121 HydrophobicContact CD2-CB 4.25Å; L1014-V2121 HydrophobicContact CD2-CG1 4.05Å; L1014-V2122 HydrophobicContact CD1-CG2 4.16Å; L1014-L2146 HydrophobicContact CB-CD2 4.35Å; L1014-L2146 HydrophobicContact CD1-CD2 4.26Å
1015N88.4Confident77.6Confident56 Ų5654.5 Ų54.530%0.29931%0.306SS..Hα-helixtrans-61.1-40174-87.7-50.8000112.8I1011 W1012 V1017 L1018 A1019 L2146I1011-N1015 WeakPolarHBondContact O-CB 3.36Å; I1011-N1015 PolarHBondContact O-N 3.1Å; I1011-N1015 PolarHBondContact O-ND2 3.08Å; W1012-N1015 PolarHBondContact O-N 3.18Å; N1015-V1017 VanDerWaalsContact C-N 3.28Å; N1015-V1017 PolarHBondContact O-N 3.38Å; N1015-L1018 WeakPolarHBondContact O-CB 3.32Å; N1015-L1018 PolarHBondContact O-N 2.83Å; N1015-A1019 WeakPolarHBondContact O-CB 3.33Å; N1015-A1019 PolarHBondContact O-N 3.14Å; N1015-L2146 WeakPolarHBondContact OD1-CD1 3.49Å
1016Q84.7Confident74.4Confident73 Ų7357 Ų5734%0.34134%0.336SS..Hα-helixtrans-64.6-32.9178.3-68.6-69.415.800112.8W1012 A1013 L1014 A1019 N1020W1012-Q1016 HydrophobicContact CD2-CG 4.09Å; W1012-Q1016 HydrophobicContact CE3-CG 4.19Å; W1012-Q1016 HydrophobicContact CH2-CG 4.16Å; W1012-Q1016 HydrophobicContact CZ2-CG 4.05Å; W1012-Q1016 HydrophobicContact CZ3-CG 4.22Å; W1012-Q1016 WeakPolarHBondContact O-CG 3.2Å; W1012-Q1016 PolarHBondContact O-N 2.81Å; A1013-Q1016 PolarHBondContact O-N 2.68Å; L1014-Q1016 PolarHBondContact O-N 3.3Å; Q1016-A1019 PolarHBondContact O-N 3.18Å; Q1016-N1020 PolarHBondContact O-N 3.13Å; Q1016-N1020 PolarHBondContact O-ND2 2.87Å
1017V81.8Confident71.1Confident32 Ų3256.5 Ų56.519%0.19435%0.347CS..Hα-helixtrans-79.3-26177172.10000112.7T984 A1013 L1014 N1015 V2118T984-V1017 HydrophobicContact CG2-CB 4.33Å; T984-V1017 HydrophobicContact CG2-CG2 3.93Å; A1013-V1017 PolarHBondContact O-N 2.92Å; L1014-V1017 PolarHBondContact O-N 2.99Å; N1015-V1017 VanDerWaalsContact C-N 3.28Å; N1015-V1017 PolarHBondContact O-N 3.38Å; V1017-V2118 HydrophobicContact CG1-CG2 4.29Å
1018L80.9Confident68Low33 Ų3364.4 Ų64.417%0.17339%0.388CS..Hα-helixtrans-67.5-42.1164.6-72.5170.7000111.8L1014 N1015 C2115 V2118 L2146 L2150L1014-L1018 PolarHBondContact O-N 2.93Å; L1014-L1018 VanDerWaalsContact O-N 3.09Å; N1015-L1018 WeakPolarHBondContact O-CB 3.32Å; N1015-L1018 PolarHBondContact O-N 2.83Å; L1018-C2115 HydrophobicContact CD2-CB 4.11Å; L1018-C2115 WeakPolarHBondContact CD2-SG 3.05Å; L1018-V2118 HydrophobicContact CD1-CG1 3.98Å; L1018-V2118 HydrophobicContact CD2-CB 4.26Å; L1018-V2118 HydrophobicContact CD2-CG1 4.34Å; L1018-V2118 HydrophobicContact CD2-CG2 4.42Å; L1018-V2118 HydrophobicContact CG-CB 4.36Å; L1018-V2118 HydrophobicContact CG-CG1 4.1Å; L1018-V2118 HydrophobicContact CG-CG2 4.24Å; L1018-L2146 HydrophobicContact CD1-CD1 3.51Å; L1018-L2150 HydrophobicContact CD1-CD2 3.97Å; L1018-L2150 HydrophobicContact CD1-CG 4.26Å; L1018-L2150 HydrophobicContact CD2-CD2 3.71Å; L1018-L2150 HydrophobicContact CG-CD2 4.49Å
1019A79.7Confident64.9Low67 Ų6766.8 Ų66.855%0.55441%0.405SS*.Hα-helixtrans-72.7-32.8-177.900000113.9N1015 Q1016N1015-A1019 WeakPolarHBondContact O-CB 3.33Å; N1015-A1019 PolarHBondContact O-N 3.14Å; Q1016-A1019 PolarHBondContact O-N 3.18Å
1020N71.5Confident62Low89 Ų8969.6 Ų69.648%0.47642%0.422SS..  trans-132.279.6-172.6-62-82.4000112.3Q1016 D1022 V1023Q1016-N1020 PolarHBondContact O-N 3.13Å; Q1016-N1020 PolarHBondContact O-ND2 2.87Å; N1020-D1022 VanDerWaalsContact C-N 3.29Å; N1020-D1022 PolarHBondContact O-N 3.16Å; N1020-V1023 HydrophobicContact CB-CG2 3.95Å
1021P58.5Low58.8Low36 Ų3677.5 Ų77.523%0.23446%0.459CS..THydrogen-bonded Turntrans-74.3-11.7-175.429.6-36.4000115.3A2111P1021-A2111 HydrophobicContact CB-CB 4Å; P1021-A2111 HydrophobicContact CG-CB 3.89Å
1022D49.8Very low55.5Low83 Ų8379.7 Ų79.744%0.44448%0.475SS..THydrogen-bonded Turntrans-90.93.6-171.7-75.6-36.7000115N1020 E1024 N2107N1020-D1022 VanDerWaalsContact C-N 3.29Å; N1020-D1022 PolarHBondContact O-N 3.16Å; D1022-E1024 PolarHBondContact O-N 2.82Å; D1022-N2107 PolarHBondContact OD1-ND2 3.43Å; D1022-N2107 VanDerWaalsContact OD1-ND2 3.07Å; D1022-N2107 PolarHBondContact OD2-ND2 3.41Å
1023V46.4Very low52.5Low121 Ų12179.6 Ų79.673%0.73348%0.482SS*.  trans-79.433.9-172.9-1600000113.7N1020N1020-V1023 HydrophobicContact CB-CG2 3.95Å
1024E36.4Very low49.5Very low66 Ų6685.3 Ų85.331%0.30851%0.506SS..SBendtrans-133.471.9169.1-85.3-158.1-152.500112.1A986 R987 D1022A986-E1024 WeakPolarHBondContact CB-OE1 3.13Å; A986-E1024 PolarHBondContact N-OE1 3.28Å; R987-E1024 WeakPolarHBondContact CD-OE2 3.43Å; R987-E1024 IonicContact CZ-OE2 3.3Å; R987-E1024 IonicContact NE-OE1 2.64Å; R987-E1024 IonicContact NE-OE2 2.73Å; R987-E1024 PolarHBondContact NE-OE2 2.91Å; D1022-E1024 PolarHBondContact O-N 2.82Å
1025N29.4Very low46.4Very low151 Ų15191.3 Ų91.381%0.80754%0.538SS*.  trans178.9128.8135-102.1-73000111.3
1026G27.4Very low43.5Very low76 Ų7697.8 Ų97.878%0.78457%0.567SS**  trans-176.478.3-177.800000112.4
1027G23.2Very low40.7Very low67 Ų6798.8 Ų98.869%0.69158%0.582SS**  trans-162.170.5-174.500000113.8
1028N27.5Very low37.8Very low170 Ų170107.5 Ų107.591%0.90962%0.617SS**  trans-177.6125.8149.2-91.8-25.1000109.7
1029T27.6Very low35.2Very low118 Ų118111.4 Ų111.472%0.72464%0.643SS**  trans-123.2163.2163.158.30000107.9
1030P30.3Very low32.5Very low105 Ų105118.5 Ų118.568%0.68266%0.657SS**  -154.1157.996.439.9-22.2000117.3
1031H28.1Very low30.2Very low166 Ų166118.1 Ų118.177%0.76966%0.661SS**  trans65154.9155.4-67.3-57.2000121.7
1032S24.5Very low28.7Very low52 Ų52123.9 Ų123.936%0.36469%0.685SS.*  -179.4129.2-56.149.50000112.6N1144S1032-N1144 WeakPolarHBondContact CB-OD1 3.44Å
1033N26.4Very low27.5Very low97 Ų97126.3 Ų126.352%0.51969%0.691SS.*  167.5132.3120.4-85-1.2000118.9V1145N1033-V1145 VanDerWaalsContact CA-CG2 3.48Å; N1033-V1145 HydrophobicContact CB-CG2 3.55Å; N1033-V1145 WeakPolarHBondContact OD1-CA 3.26Å; N1033-V1145 WeakPolarHBondContact OD1-CG2 3.38Å
1034Q26.6Very low26.3Very low133 Ų133126.9 Ų126.962%0.62169%0.686SS**  trans54.1140146.2-115.3149.626.400121.2V1145Q1034-V1145 HydrophobicContact CB-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact CD-CG1 3.43Å; Q1034-V1145 VanDerWaalsContact CD-CG2 3.49Å; Q1034-V1145 HydrophobicContact CG-CB 4.1Å; Q1034-V1145 HydrophobicContact CG-CG1 4.3Å; Q1034-V1145 HydrophobicContact CG-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact CG-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact NE2-CG1 3.28Å
1035N25.5Very low25.7Very low127 Ų127130.2 Ų130.268%0.67971%0.706SS**  cis-163.5145-15.2-125.810.1000111.1
1036Q28.4Very low25.5Very low192 Ų192128 Ų12890%0.89770%0.703SS**  -163.7151.3127.8-110.7177.29.600110.1
1037S25.2Very low25.4Very low94 Ų94133.1 Ų133.166%0.65771%0.706SS**  trans-68.7156.4-174.749.60000112.7
1038F21Very low25.5Very low214 Ų214137.6 Ų137.694%0.93971%0.709SS**  cis-89.1141.345.2-81.7-102.5000117.2
1039T25Very low25.2Very low115 Ų115136 Ų13671%0.70669%0.69SS**  trans-116.4145164.146.40000109.2
1040Y24.8Very low24.9Very low217 Ų217135.4 Ų135.485%0.85168%0.683SS**  cis77.615643.6-121.1-84.7000115.6
1041S22.2Very low24.7Very low81 Ų81142 Ų14257%0.56669%0.694SS**  trans100.9150170.785.30000115.7
1042H26.4Very low24.4Very low157 Ų157141.3 Ų141.373%0.72770%0.695SS**  cis-143.4160.25-97.9-64.2000109.4
1043F24.3Very low24.3Very low133 Ų133148.7 Ų148.758%0.58372%0.716SS**  cis-166.2160.6-26.8-131-145.7000111
1044E22.8Very low24.2Very low133 Ų133147.5 Ų147.562%0.62171%0.713SS**  trans-2.1160.6134.9-42.8-174.6159.700119.4
1045N23.7Very low24Very low136 Ų136144.3 Ų144.373%0.72771%0.709SS**  cis-158.2171.339.7-126.7-51.5000115.1
1046S25.3Very low23.8Very low106 Ų106149.9 Ų149.974%0.74172%0.721SS**  trans-128.7134.5179.263.70000113
1047E24.4Very low23.8Very low183 Ų183145.5 Ų145.586%0.85571%0.709SS**  trans-144.2168.6162.2-133.5-171.7-135.800111.8
1048Q24.8Very low23.6Very low161 Ų161146.1 Ų146.175%0.75271%0.713SS**  trans-134.1118.9-146.4-175.4-174.917.100114N1181Q1048-N1181 VanDerWaalsContact C-ND2 3.35Å; Q1048-N1181 PolarHBondContact O-ND2 2.85Å
1049R21.4Very low23.6Very low137 Ų137144.4 Ų144.452%0.51771%0.708SS.*  trans147.7142.8147-86.9168.1174.2143.3-7114.1N1181R1049-N1181 WeakPolarHBondContact CB-OD1 3.44Å; R1049-N1181 PolarHBondContact O-OD1 2.88Å
1050D22.8Very low23.6Very low105 Ų105144.3 Ų144.356%0.56171%0.707SS**  trans36.8100.9142.2-46.8-23.1000120.7
1051R25.9Very low23.5Very low243 Ų243139.7 Ų139.792%0.91771%0.707SS**  -172.1164.8104.2-100174.2-170-153.63.1114.1
1052L21.8Very low23.7Very low152 Ų152142.6 Ų142.680%0.79672%0.715SS**  trans-72151.4-168.1-66.9153.5000115.3
1053Y22.6Very low23.8Very low207 Ų207141.7 Ų141.781%0.81272%0.72SS**  trans6.7137.3145.3-71.1-94.6000120
1054T22.4Very low23.9Very low72 Ų72140.8 Ų140.844%0.44272%0.721SS.*  -167139.7101.3300000113Y1177T1054-Y1177 PolarHBondContact N-OH 3.29Å; T1054-Y1177 VanDerWaalsContact N-OH 3.11Å; T1054-Y1177 WeakPolarHBondContact O-CE2 3.49Å; T1054-Y1177 PolarHBondContact O-OH 3.11Å
1055A23.1Very low24.1Very low66 Ų66139.7 Ų139.755%0.54572%0.719SS.*  trans65172.415400000119
1056R20.8Very low24.2Very low244 Ų244137.8 Ų137.892%0.92170%0.702SS**  -161.2-179.3-61.4-112.3-160.9170.4172.3-2.9109.4
1057P29.4Very low24.1Very low100 Ų100141 Ų14165%0.64971%0.709SS**  trans-125.1-169-147.942.1-24.7000116
1058S21.2Very low24.1Very low106 Ų106138.1 Ų138.174%0.74171%0.707SS**  trans81.6152.5162-41.80000115.7
1059E21.2Very low24Very low178 Ų178133.8 Ų133.883%0.83269%0.691SS**  cis-135.4142.48.8-74.2-178.1143.100114.1
1060V23.2Very low23.9Very low114 Ų114130.3 Ų130.369%0.69168%0.682SS**  trans13132.5138.2-171.60000120.3L1062V1060-L1062 HydrophobicContact CG1-CD1 3.68Å; V1060-L1062 HydrophobicContact CG1-CG 3.83Å
1061S24.6Very low23.8Very low120 Ų120133.8 Ų133.884%0.83970%0.695SS**  trans-150.9150.6151-74.70000108.9
1062L25.8Very low23.6Very low141 Ų141128.5 Ų128.574%0.73868%0.681SS**  trans-143111.1-160.2-69.2159000115.1V1060V1060-L1062 HydrophobicContact CG1-CD1 3.68Å; V1060-L1062 HydrophobicContact CG1-CG 3.83Å
1063T27.8Very low23.6Very low138 Ų138126.9 Ų126.985%0.84768%0.683SS**  trans-152.1119.1157.630.40000108.1
1064I25.9Very low23.8Very low115 Ų115120.7 Ų120.759%0.5967%0.674SS**  cis74.1116.145.8-54.4167000109.2L1070I1064-L1070 HydrophobicContact CG2-CD1 4.38Å
1065N28.1Very low24.1Very low110 Ų110124.4 Ų124.459%0.58869%0.686SS**  cis-154150.146.9-131.1-18.6000115.4L1070N1065-L1070 VanDerWaalsContact OD1-CD1 3.28Å; N1065-L1070 WeakPolarHBondContact OD1-CD1 3.29Å
1066R24.9Very low24.2Very low95 Ų95125.7 Ų125.736%0.35869%0.691SS.*  trans41.6148.3156-44.8-136.5-172.1-154.610.8120.1V1069 E1072R1066-V1069 VanDerWaalsContact CD-O 3.3Å; R1066-V1069 WeakPolarHBondContact CD-O 3.35Å; R1066-V1069 HydrophobicContact CG-CB 4.36Å; R1066-V1069 PolarHBondContact NH1-O 2.98Å; R1066-E1072 IonicContact CZ-OE2 3.86Å; R1066-E1072 IonicContact NH2-OE2 2.86Å; R1066-E1072 PolarHBondContact NH2-OE2 3.41Å
1067L23.3Very low24.5Very low173 Ų173121.1 Ų121.191%0.90668%0.683SS**SBendcis-136.813941.6-45.892.5000115.3
1068P25.1Very low24.5Very low123 Ų123121.7 Ų121.780%0.79969%0.685SS**SBendcis-73.299.9-49.933.2-27.5000109.6
1069V22.1Very low24.8Very low71 Ų71123 Ų12343%0.4368%0.684SS.*  trans-67.6155.9145.5178.90000107.3R1066R1066-V1069 VanDerWaalsContact CD-O 3.3Å; R1066-V1069 WeakPolarHBondContact CD-O 3.35Å; R1066-V1069 HydrophobicContact CG-CB 4.36Å; R1066-V1069 PolarHBondContact NH1-O 2.98Å
1070L20.4Very low25Very low63 Ų63121.9 Ų121.933%0.3368%0.684SS.*SBendtrans69.2143.3-179.1-66.4131.9000113I1064 N1065I1064-L1070 HydrophobicContact CG2-CD1 4.38Å; N1065-L1070 VanDerWaalsContact OD1-CD1 3.28Å; N1065-L1070 WeakPolarHBondContact OD1-CD1 3.29Å
1071E21Very low25.2Very low178 Ų178123.3 Ų123.383%0.83269%0.686SS**  cis58.648.635.9-161.1-168.1-153.400112.8
1072E21.5Very low25.1Very low132 Ų132122.9 Ų122.962%0.61768%0.683SS**  trans-160.8134.2156.4-121.1157-159.100114.2R1066 A1074R1066-E1072 IonicContact CZ-OE2 3.86Å; R1066-E1072 IonicContact NH2-OE2 2.86Å; R1066-E1072 PolarHBondContact NH2-OE2 3.41Å; E1072-A1074 PolarHBondContact O-N 3.16Å
1073S20.8Very low25Very low119 Ų119121.3 Ų121.383%0.83268%0.684SS**  trans-74.5106.4149.1520000109
1074A26.3Very low24.9Very low77 Ų77120 Ų12064%0.63668%0.68SS**  trans169.7139.9143.700000113.1E1072E1072-A1074 PolarHBondContact O-N 3.16Å
1075H28.9Very low24.9Very low150 Ų150122.9 Ų122.969%0.69470%0.696SS**  trans26.499.2136.4-59.9-60.5000120
1076S26.3Very low24.6Very low92 Ų92123 Ų12364%0.64370%0.696SS**  39.5128.3111.464.40000120
1077I26.6Very low24.5Very low148 Ų148121.6 Ų121.676%0.75970%0.702SS**  -175.2150.1104.4-94.8161.6000110.4
1078T28.8Very low24.6Very low112 Ų112121.7 Ų121.769%0.68770%0.701SS**  trans54.290.8173.3480000118.8
1079D27.6Very low24.8Very low135 Ų135119.3 Ų119.372%0.72269%0.687SS**  54.6107.498.4-46.5-12.7000119.9
1080D25Very low24.9Very low153 Ų153124.4 Ų124.482%0.81871%0.706SS**  78168118.7-74.5-13.7000123.6
1081I27.6Very low25Very low144 Ų144126.2 Ų126.274%0.73872%0.72SS**  trans72.174.6168.7-62.9151.6000115.4
1082S23.5Very low25Very low111 Ų111124.1 Ų124.178%0.77671%0.711SS**  11.8112.5122.759.90000117.9
1083S23.8Very low25Very low109 Ų109119.9 Ų119.976%0.76270%0.702SS**  trans-163.675146.739.80000112.4
1084S26Very low25.1Very low109 Ų109120.4 Ų120.476%0.76269%0.685SS**  trans-169.6146.8163.3-82.40000109.4
1085L24.9Very low24.9Very low176 Ų176120.8 Ų120.892%0.92168%0.677SS**SBend70.530.5-85.9-121.8175.6000120.2
1086N22.9Very low24.8Very low112 Ų112120.9 Ų120.960%0.59968%0.677SS**  trans-146121.4145-94.4-34.7000105.9
1087S22.8Very low25.2Very low67 Ų67121.1 Ų121.147%0.46968%0.675SS.*  66.6130.261.697.50000111.3S1089S1087-S1089 PolarHBondContact O-N 2.97Å; S1087-S1089 PolarHBondContact O-OG 3.22Å; S1087-S1089 VanDerWaalsContact O-OG 3.14Å
1088I25.7Very low25.5Very low175 Ų175119.9 Ų119.990%0.89767%0.67SS**SBend47.638.899.4-41.2177.2000112.6
1089S28.2Very low25Very low72 Ų72121 Ų12150%0.50367%0.672SS.*  trans-162.7124.6167.848.50000106.4S1087S1087-S1089 PolarHBondContact O-N 2.97Å; S1087-S1089 PolarHBondContact O-OG 3.22Å; S1087-S1089 VanDerWaalsContact O-OG 3.14Å
1090Q25.2Very low24.7Very low179 Ų179117.3 Ų117.384%0.83666%0.657SS**  cis-74.7141.913-54.8174.6-25.100111.5
1091T21.1Very low24.5Very low101 Ų101112.1 Ų112.162%0.6263%0.632SS**  cis59.2145.241.982.10000111.5
1092E20.7Very low24.3Very low134 Ų134111.2 Ų111.263%0.62663%0.626SS**  cis-152.8-159.2-3-140.8165.7-142.800107.5S1100E1092-S1100 WeakPolarHBondContact O-CB 3.14Å; E1092-S1100 PolarHBondContact O-OG 3.02Å
1093G22.7Very low24.3Very low42 Ų42110.5 Ų110.543%0.43361%0.613SS.*  trans71.479.3153.500000117.4N1099 S1100 S1101G1093-N1099 WeakPolarHBondContact O-CB 3.16Å; G1093-S1100 PolarHBondContact O-N 2.91Å; G1093-S1100 PolarHBondContact O-OG 3.29Å; G1093-S1101 PolarHBondContact N-OG 2.96Å; G1093-S1101 VanDerWaalsContact N-OG 3.09Å
1094R21.9Very low24.3Very low130 Ų130112.3 Ų112.349%0.49161%0.614SS.*  28.8152123.8-97.7178.2167.5-179.6-3.6122.1S1100 S1101 M1102R1094-S1100 VanDerWaalsContact CA-N 3.35Å; R1094-S1100 WeakPolarHBondContact CA-O 3.27Å; R1094-S1100 VanDerWaalsContact N-C 3.31Å; R1094-S1100 PolarHBondContact N-O 3.47Å; R1094-S1101 WeakPolarHBondContact CG-O 3.18Å; R1094-S1101 PolarHBondContact N-OG 3.01Å; R1094-M1102 PolarHBondContact NH2-SD 3.44Å
1095L22.5Very low24.3Very low86 Ų86111.8 Ų111.845%0.4561%0.61SS.*  cis-131.3-158.76.5-61.281.1000110.3T1097 N1098 N1099L1095-T1097 VanDerWaalsContact C-C 3.42Å; L1095-T1097 CarbonylContact C-O 3.32Å; L1095-T1097 WeakPolarHBondContact CA-O 3.35Å; L1095-T1097 WeakPolarHBondContact CB-O 3.37Å; L1095-T1097 PolarHBondContact N-O 3.43Å; L1095-T1097 CarbonylContact O-C 3.2Å; L1095-N1098 PolarHBondContact N-O 3.46Å; L1095-N1098 CarbonylContact O-C 2.88Å; L1095-N1098 WeakPolarHBondContact O-CA 3.19Å; L1095-N1098 PolarHBondContact O-N 3.41Å; L1095-N1098 VanDerWaalsContact O-N 3.09Å; L1095-N1099 CarbonylContact O-C 3.4Å; L1095-N1099 PolarHBondContact O-N 2.98Å
1096E27.4Very low24.7Very low152 Ų152110.4 Ų110.471%0.7160%0.602SS**SBend-97109.8120.8-142.5-44.6-69.800105.5N1098E1096-N1098 PolarHBondContact OE2-N 3.22Å; E1096-N1098 PolarHBondContact OE2-ND2 3.39Å
1097T34.2Very low24.7Very low96 Ų96110 Ų11059%0.58961%0.609SS**SBendcis-47.3107.4760.70000117.7L1095L1095-T1097 VanDerWaalsContact C-C 3.42Å; L1095-T1097 CarbonylContact C-O 3.32Å; L1095-T1097 WeakPolarHBondContact CA-O 3.35Å; L1095-T1097 WeakPolarHBondContact CB-O 3.37Å; L1095-T1097 PolarHBondContact N-O 3.43Å; L1095-T1097 CarbonylContact O-C 3.2Å
1098N33.6Very low24.7Very low122 Ų122113.3 Ų113.365%0.65262%0.621SS**SBendtrans16.2126175.3-61.9-91.2000119.8L1095 E1096L1095-N1098 PolarHBondContact N-O 3.46Å; L1095-N1098 CarbonylContact O-C 2.88Å; L1095-N1098 WeakPolarHBondContact O-CA 3.19Å; L1095-N1098 PolarHBondContact O-N 3.41Å; L1095-N1098 VanDerWaalsContact O-N 3.09Å; E1096-N1098 PolarHBondContact OE2-N 3.22Å; E1096-N1098 PolarHBondContact OE2-ND2 3.39Å
1099N18.5Very low24.8Very low136 Ų136113.1 Ų113.173%0.72762%0.616SS**SBendtrans106.3-151.5-179.2-56.3-63.9000116G1093 L1095G1093-N1099 WeakPolarHBondContact O-CB 3.16Å; L1095-N1099 CarbonylContact O-C 3.4Å; L1095-N1099 PolarHBondContact O-N 2.98Å
1100S20.6Very low24.6Very low58 Ų58115.5 Ų115.541%0.40662%0.622SS.*  trans-90.9-169.1-136.8-36.70000118.2E1092 G1093 R1094E1092-S1100 WeakPolarHBondContact O-CB 3.14Å; E1092-S1100 PolarHBondContact O-OG 3.02Å; G1093-S1100 PolarHBondContact O-N 2.91Å; G1093-S1100 PolarHBondContact O-OG 3.29Å; R1094-S1100 VanDerWaalsContact CA-N 3.35Å; R1094-S1100 WeakPolarHBondContact CA-O 3.27Å; R1094-S1100 VanDerWaalsContact N-C 3.31Å; R1094-S1100 PolarHBondContact N-O 3.47Å
1101S21.6Very low24.5Very low44 Ų44114.3 Ų114.331%0.30862%0.619SS.*  trans49.1117.3147.470.70000120.5G1093 R1094G1093-S1101 PolarHBondContact N-OG 2.96Å; G1093-S1101 VanDerWaalsContact N-OG 3.09Å; R1094-S1101 WeakPolarHBondContact CG-O 3.18Å; R1094-S1101 PolarHBondContact N-OG 3.01Å
1102M22.9Very low24.7Very low125 Ų125114.1 Ų114.162%0.61662%0.618SS**  -161.5131.4110.4-94.6-143.9156.900107.8R1094R1094-M1102 PolarHBondContact NH2-SD 3.44Å
1103I22.6Very low25Very low95 Ų95113.1 Ų113.149%0.48762%0.621SS.*  cis111.7132.135.9-89.7176.8000108.6
1104N23.9Very low24.9Very low147 Ų147118.7 Ų118.779%0.78664%0.64SS**  trans66.2148.4173.4-64.1-9.4000115.8
1105S26.9Very low25Very low99 Ų99118.5 Ų118.569%0.69266%0.659SS**  cis-157.4154.20.4-115.30000107.9
1106I32.4Very low25Very low146 Ų146122 Ų12275%0.74968%0.677SS**  cis-136.2138.817-90121.9000109.7
1107S22.7Very low24.8Very low105 Ų105121.3 Ų121.373%0.73468%0.678SS**  trans-106.7171.9148-810000108.4
1108N23.5Very low24.2Very low136 Ų136125 Ų12573%0.72769%0.686SS**  trans89.5145.1-168.1-46.2-17.1000111.1
1109E27.9Very low23.6Very low171 Ų171127 Ų12780%0.79969%0.691SS**  cis-120.712812.7-83.1-168.6134.700111.1
1110L24.4Very low23.7Very low121 Ų121127.1 Ų127.163%0.63469%0.692SS**  86.513375.2-77.9-177.2000113.8
1111M23Very low24Very low154 Ų154129.7 Ų129.776%0.75971%0.71SS**  trans67.2150.3137.3-58.8-82.7-92.500117.6
1112T25.4Very low24.3Very low98 Ų98132.1 Ų132.160%0.60173%0.727SS**  cis-153.7165.76.5-13.50000111.3
1113T26.4Very low24.3Very low112 Ų112133.5 Ų133.569%0.68774%0.735SS**  trans52.5118149.350.40000119
1114L21Very low24.4Very low160 Ų160135.3 Ų135.384%0.83875%0.746SS**  49.5104.557.7-58167000114.5
1115S24.7Very low24.4Very low126 Ų126132.6 Ų132.688%0.88174%0.735SS**  -167.5127.7121.4-83.70000110.9
1116L21.9Very low24.3Very low158 Ų158135.7 Ų135.783%0.82774%0.738SS**  trans-94.4129.9168.4-68.2159.1000107.9
1117N22.1Very low23.9Very low139 Ų139134.7 Ų134.774%0.74374%0.739SS**  169.8130.9109.7-90.1-55.4000114.3
1118K22.4Very low24.1Very low174 Ų174134.5 Ų134.576%0.75774%0.736SS**  trans70.5152.6141.8-72.4-171.8169.8-168.50122
1119E21.8Very low24Very low162 Ų162133.8 Ų133.876%0.75773%0.731SS**  trans66.6136.4162-74.1159.8-12900117.3
1120D20.8Very low23.9Very low140 Ų140130 Ų13075%0.74972%0.717SS**  cis-165.3139.5-22.3-130.120.1000108.5
1121S26.2Very low23.7Very low111 Ų111129 Ų12978%0.77672%0.719SS**  trans167.6149.2152.939.90000114.3
1122S26.7Very low23.6Very low96 Ų96131.1 Ų131.167%0.67173%0.725SS**  trans50.6114.4158.848.90000118.9
1123I24Very low23.5Very low153 Ų153132.6 Ų132.679%0.78573%0.728SS**  58.6111.464.3-54.7169.1000109.1
1124N24.8Very low23.3Very low134 Ų134132.1 Ų132.172%0.71772%0.72SS**  cis-157.1166.340.2-141.3-1.2000115.8
1125T24.5Very low23.6Very low90 Ų90129.1 Ų129.155%0.55271%0.71SS**  trans51.8107.5149.348.80000121.3
1126E22.9Very low23.5Very low163 Ų163128 Ų12876%0.76270%0.698SS**  81.4156.2112.1-72.6179.4-178.300123.3
1127T24.9Very low23.5Very low125 Ų125125.8 Ų125.877%0.76769%0.691SS**  trans76.2150.6153.841.80000119.1
1128P26.8Very low23.6Very low102 Ų102126.2 Ų126.266%0.66269%0.691SS**  trans-100.5-171.6-168.836.7-26.9000112.8
1129L22.2Very low23.6Very low120 Ų120124 Ų12463%0.62869%0.687SS**  trans83.7163.4164.5-46.6141.8000116.7V2138L1129-V2138 HydrophobicContact CD2-CG2 4Å
1130N25.5Very low23.6Very low93 Ų93121 Ų12150%0.49768%0.683SS.*  trans60.669.1149.8-53.9-27.2000118.9R2141N1130-R2141 PolarHBondContact ND2-NH2 3Å
1131S20.3Very low23.6Very low98 Ų98119.8 Ų119.869%0.68568%0.681SS**  trans-162.859.2150.338.40000115.6
1132F21.3Very low23.5Very low200 Ų200120.8 Ų120.888%0.87768%0.678SS**  -103.9111.5124.7-104.8-97.2000105
1133I23.2Very low23.4Very low129 Ų129122.5 Ų122.566%0.66268%0.679SS**  63.3104.965.6-58.2177000109.9
1134L20.9Very low23.3Very low102 Ų102119 Ų11953%0.53466%0.662SS.*  trans-51.7152.2171.5-114.368000112T1136L1134-T1136 PolarHBondContact O-N 3.17Å; L1134-T1136 PolarHBondContact O-OG1 2.69Å
1135P28.7Very low23.5Very low97 Ų97115.2 Ų115.263%0.6364%0.644SS**  trans-68.5126.3155.330.6-32.7000110W1012W1012-P1135 HydrophobicContact CZ2-CG 4.01Å
1136T21.9Very low23.3Very low102 Ų102115.7 Ų115.763%0.62665%0.65SS**  trans-146.6129.9178.222.70000108L1134L1134-T1136 PolarHBondContact O-N 3.17Å; L1134-T1136 PolarHBondContact O-OG1 2.69Å
1137T22.5Very low23.2Very low111 Ų111115 Ų11568%0.68165%0.649SS**  cis-167.2177.4-0.9-14.70000111.1
1138M23.3Very low23.2Very low148 Ų148117 Ų11773%0.72965%0.647SS**  trans75.2127.8152.8-64.1-86.2168.800116.1
1139N22.1Very low22.9Very low129 Ų129119.5 Ų119.569%0.6965%0.654SS**  78.2141.656-70-9.8000112.6
1140C21.2Very low23.2Very low98 Ų98118.3 Ų118.366%0.66265%0.654SS**  cis-167.2-176-10.8-1190000111.5
1141T22.1Very low23.2Very low114 Ų114123 Ų12370%0.69967%0.67SS**  trans64.2111.114943.40000121.2
1142N23.7Very low23.4Very low133 Ų133127.5 Ų127.571%0.71168%0.677SS**  52.5100.7128-64.3-17.4000120.6
1143N25.3Very low23.5Very low132 Ų132124.4 Ų124.471%0.70667%0.669SS**  23.1129.2118.3-67.9-7.1000118.4
1144N22Very low23.5Very low78 Ų78125.3 Ų125.342%0.41767%0.673SS.*  -168.6140.488.2-81.8-55000111.4S1032S1032-N1144 WeakPolarHBondContact CB-OD1 3.44Å
1145V27.3Very low23.9Very low56 Ų56126.3 Ų126.334%0.33969%0.686SS.*  165.9148.9124.7175.20000112.7N1033 Q1034N1033-V1145 VanDerWaalsContact CA-CG2 3.48Å; N1033-V1145 HydrophobicContact CB-CG2 3.55Å; N1033-V1145 WeakPolarHBondContact OD1-CA 3.26Å; N1033-V1145 WeakPolarHBondContact OD1-CG2 3.38Å; Q1034-V1145 HydrophobicContact CB-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact CD-CG1 3.43Å; Q1034-V1145 VanDerWaalsContact CD-CG2 3.49Å; Q1034-V1145 HydrophobicContact CG-CB 4.1Å; Q1034-V1145 HydrophobicContact CG-CG1 4.3Å; Q1034-V1145 HydrophobicContact CG-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact CG-CG2 3.4Å; Q1034-V1145 VanDerWaalsContact NE2-CG1 3.28Å
1146S20.3Very low23.4Very low99 Ų99132.9 Ų132.969%0.69270%0.698SS**  trans-117.7177.6171.4-169.70000113.5
1147M22.5Very low23.7Very low149 Ų149132.7 Ų132.773%0.73470%0.699SS**  trans91.1136.1-176.4-56.7-162.4-166.500115.5
1148K23.4Very low23.8Very low167 Ų167135.3 Ų135.373%0.72671%0.708SS**  cis-155141-4.8-99.5153.3-179.71600107.1
1149L21.3Very low23.7Very low154 Ų154132 Ų13281%0.80670%0.699SS**  56.7152.175.4-88.986.3000116.2
1150P29.4Very low23.8Very low96 Ų96130.4 Ų130.462%0.62369%0.694SS**  cis-148.4-170.4-30.139.7-19.4000116.3
1151K25.1Very low23.9Very low191 Ų191128.4 Ų128.483%0.8368%0.681SS**  trans110.2141162.7-61.2158.9-176.5177.80115.4
1152K24.1Very low23.9Very low192 Ų192130.7 Ų130.784%0.83568%0.684SS**  cis100.5138.523.2-83.4-161.9173.1-172.90114.5
1153L23.2Very low24Very low136 Ų136130 Ų13071%0.71269%0.685SS**  cis-169.7-171.5-0.9-164.462.6000110.7
1154I23.3Very low24Very low147 Ų147130 Ų13075%0.75469%0.689SS**  trans81144.9157-79.1164.8000118.4
1155P28.8Very low24Very low123 Ų123135.4 Ų135.480%0.79971%0.709SS**  cis-139.9-149.9-2543.1-20.8000116.4
1156R19.5Very low23.8Very low235 Ų235143.5 Ų143.589%0.88774%0.735SS**  trans-80.8-173.1-178.9-114.3-177.3-178.9-165.61.8114.9
1157P27.6Very low23.9Very low99 Ų99143.8 Ų143.864%0.64374%0.736SS**  cis-140.1171.2-20.336.9-17.5000117.4
1158L24.4Very low23.9Very low165 Ų165142 Ų14286%0.86474%0.738SS**  trans172.8-167.9137.6-11676.3000114.4
1159S21.7Very low24.1Very low78 Ų78139.4 Ų139.455%0.54574%0.738SS.*  trans-109-165.1-16959.80000114.4
1160T24.5Very low24.1Very low96 Ų96136.5 Ų136.559%0.58973%0.731SS**  cis-150.1-149.520.6-31.80000112.1I1171 T1172T1160-I1171 CarbonylContact O-C 2.87Å; T1160-I1171 VanDerWaalsContact O-CB 3.23Å; T1160-I1171 WeakPolarHBondContact O-CB 3.42Å; T1160-I1171 VanDerWaalsContact O-CG2 3.26Å; T1160-I1171 WeakPolarHBondContact O-CG2 3.4Å; T1160-T1172 PolarHBondContact O-N 3.23Å; T1160-T1172 PolarHBondContact O-OG1 2.92Å
1161S22.2Very low23.9Very low56 Ų56137 Ų13739%0.39273%0.727SS.*  trans-140.2151-167.2-149.90000117.3I1171 T1172S1161-I1171 WeakPolarHBondContact CA-O 3.34Å; S1161-T1172 VanDerWaalsContact CB-OG1 3.29Å; S1161-T1172 WeakPolarHBondContact CB-OG1 3.33Å; S1161-T1172 PolarHBondContact OG-N 2.85Å
1162E23.3Very low23.9Very low162 Ų162131.8 Ų131.876%0.75771%0.711SS**  trans61.7144.2164-66.6177.8-167.500117.9
1163T25.7Very low23.8Very low119 Ų119127.5 Ų127.573%0.7371%0.706SS**  cis-166.7155.147.96.40000113.9
1164V24.4Very low24Very low131 Ų131127.9 Ų127.979%0.79471%0.708SS**  trans70.8159151.9175.80000118.6
1165K22.9Very low24Very low192 Ų192128 Ų12884%0.83571%0.706SS**SBendtrans-49.1151174.1-71.3-176.3175.6-176.20112.2
1166Y23.3Very low23.7Very low226 Ų226126.4 Ų126.489%0.88669%0.691SS**SBendtrans97.4164.8-168.1-79.6-86.4000114
1167C22.2Very low23.9Very low106 Ų106121.6 Ų121.672%0.71667%0.673SS**SBendtrans-48130-168.8-49.50000116.5
1168S21.8Very low23.7Very low111 Ų111123.4 Ų123.478%0.77668%0.678SS**  trans67.3-175.7145.1-45.90000114.8
1169P26.7Very low23.6Very low113 Ų113121.3 Ų121.373%0.73467%0.672SS**  -123167.1-87.937.4-24000115.6
1170S22.4Very low23.9Very low93 Ų93121.3 Ų121.365%0.6567%0.67SS**  trans89.3107154.5-57.30000120.1
1171I25.4Very low23.8Very low105 Ų105120 Ų12054%0.53866%0.659SS.*  trans72.1165.1148.7-51.2165.2000111.4T1160 S1161T1160-I1171 CarbonylContact O-C 2.87Å; T1160-I1171 VanDerWaalsContact O-CB 3.23Å; T1160-I1171 WeakPolarHBondContact O-CB 3.42Å; T1160-I1171 VanDerWaalsContact O-CG2 3.26Å; T1160-I1171 WeakPolarHBondContact O-CG2 3.4Å; S1161-I1171 WeakPolarHBondContact CA-O 3.34Å
1172T24.9Very low23.9Very low82 Ų82122.8 Ų122.850%0.50367%0.674SS.*  cis-112.3-164-13.6-12.30000107.7T1160 S1161T1160-T1172 PolarHBondContact O-N 3.23Å; T1160-T1172 PolarHBondContact O-OG1 2.92Å; S1161-T1172 VanDerWaalsContact CB-OG1 3.29Å; S1161-T1172 WeakPolarHBondContact CB-OG1 3.33Å; S1161-T1172 PolarHBondContact OG-N 2.85Å
1173S22.6Very low23.9Very low102 Ų102120.4 Ų120.471%0.71366%0.664SS**SBendcis-142.5-4.51.747.90000113.9
1174N26.1Very low23.8Very low144 Ų144120 Ų12077%0.7767%0.666SS**  trans-114.6-176.4-169-113.1-37.8000111.6
1175Q23.2Very low23.7Very low151 Ų151122.8 Ų122.871%0.70667%0.671SS**  trans-25.5136.5171.8-57.8176.6-73.500113.8
1176D23.4Very low23.6Very low89 Ų89118.1 Ų118.148%0.47666%0.662SS.*  cis-165.5169.146.5-129.6-23.4000115.6
1177Y24.2Very low23.7Very low133 Ų133114.1 Ų114.152%0.52266%0.661SS.*  trans64.4151.4157.4-84.6-70.8000125.6T1054T1054-Y1177 PolarHBondContact N-OH 3.29Å; T1054-Y1177 VanDerWaalsContact N-OH 3.11Å; T1054-Y1177 WeakPolarHBondContact O-CE2 3.49Å; T1054-Y1177 PolarHBondContact O-OH 3.11Å
1178N22.7Very low24.1Very low138 Ų138116.8 Ų116.874%0.73867%0.666SS**  trans71.9127.1162.4-67.5-19000117.6
1179T22.8Very low24.2Very low121 Ų121118.2 Ų118.274%0.74267%0.665SS**  cis-148.5162.70.814.10000110.6
1180P26.6Very low23.9Very low78 Ų78121 Ų12151%0.50667%0.668SS.*  trans-64.6164.4167.331.7-35.2000110.1
1181N23.9Very low23.9Very low68 Ų68121 Ų12136%0.36467%0.668SS.*  -172.3-173.264.8-163.11.1000112.5Q1048 R1049Q1048-N1181 VanDerWaalsContact C-ND2 3.35Å; Q1048-N1181 PolarHBondContact O-ND2 2.85Å; R1049-N1181 WeakPolarHBondContact CB-OD1 3.44Å; R1049-N1181 PolarHBondContact O-OD1 2.88Å
1182V23.5Very low23.8Very low115 Ų115124.1 Ų124.170%0.69768%0.68SS**  trans91.2117.8166.3-171.20000116.1
1183M22.5Very low23.7Very low112 Ų112125.1 Ų125.155%0.55269%0.691SS**  trans-70.4138.8168-78.3-179.9148.500112
1184S24.5Very low23.7Very low110 Ų110127.5 Ų127.577%0.76970%0.695SS**  trans55.582.1149.761.40000118.5
1185Q21.5Very low23.5Very low190 Ų190124.9 Ų124.989%0.88869%0.688SS**  -103.9108.1127.7-94.7-176.2-5.300106.5
1186S22.1Very low23.5Very low94 Ų94123 Ų12366%0.65769%0.691SS**  84.3113.590.569.10000111.6
1187V25.6Very low23.4Very low141 Ų141124.1 Ų124.186%0.85571%0.706SS**SBendtrans-58.9151.2172.2177.60000109.5N1189V1187-N1189 PolarHBondContact O-N 3.31Å
1188I29.7Very low23.8Very low162 Ų162122.9 Ų122.983%0.83171%0.714SS**SBendtrans-47.1134.9-174.3-61.5170.5000111.4
1189N23.1Very low23.7Very low141 Ų141123.6 Ų123.675%0.75472%0.717SS**  trans-40.7137.7-179.2-50.1-19.1000112V1187V1187-N1189 PolarHBondContact O-N 3.31Å
1190E22Very low24Very low172 Ų172122.6 Ų122.680%0.80472%0.715SS**  -157.4138.655.7-80.9-175.7149.300115.3
1191S22.8Very low23.8Very low93 Ų93129 Ų12965%0.6573%0.73SS**  trans69136.4134.488.40000123
1192H23Very low24Very low170 Ų170130.3 Ų130.379%0.78774%0.738SS**  trans54.9114.8150.7-58.4-57.4000123.3
1193S21.7Very low23.9Very low104 Ų104133.9 Ų133.973%0.72774%0.744SS**  trans76.3170.1137.679.40000119.2
1194L23.3Very low24Very low152 Ų152135 Ų13580%0.79675%0.748SS**  trans66.5124.7-179.7-53.4169.4000113
1195S22.1Very low24Very low89 Ų89134 Ų13462%0.62274%0.741SS**  cis75.3138.845.985.80000114.7
1196S22.2Very low24.2Very low111 Ų111131.4 Ų131.478%0.77673%0.733SS**  trans60.9123.9167.649.40000119.1
1197S22.6Very low24.4Very low113 Ų113134.5 Ų134.579%0.7974%0.735SS**  trans-63.1178.9152.4-80000111.6
1198P30.7Very low24.3Very low107 Ų107134.9 Ų134.970%0.69573%0.727SS**  cis-138.1-171.6-15.937.5-18.4000114.1
1199L21.8Very low24.2Very low153 Ų153135 Ų13580%0.80173%0.728SS**  trans76.8131.1147.4-84.4163.9000121.4
1200S28.1Very low24.1Very low99 Ų99136.2 Ų136.269%0.69273%0.731SS**  trans-68.9154.3176.152.30000115.6
1201Y24.1Very low24.1Very low212 Ų212132.9 Ų132.983%0.83173%0.727SS**  trans-143.4158.2159.7-85.2-67.1000108.6
1202N26.1Very low24.1Very low97 Ų97139.9 Ų139.952%0.51974%0.739SS.*  cis-151.5138.94.1-143.2-42.7000111.2Q1204N1202-Q1204 WeakPolarHBondContact OD1-CA 3.32Å
1203K23.1Very low24Very low189 Ų189136.2 Ų136.282%0.82273%0.733SS**SBend-162.8126.6120.8-99.1-166.6178.3-177.90108.4
1204Q23.9Very low24.1Very low136 Ų136138.3 Ų138.364%0.63673%0.729SS**SBendcis-156.4139.5-4.2-152.5163.4-29.100112N1202N1202-Q1204 WeakPolarHBondContact OD1-CA 3.32Å
1205S25.4Very low24.2Very low90 Ų90136.1 Ų136.163%0.62971%0.714SS**  trans63.2150.7152.746.70000121.2
1206N24.2Very low24.3Very low135 Ų135132.5 Ų132.572%0.72269%0.689SS**  cis-168.9157-35.8-126.2-24.7000111.2
1207K26.9Very low24.4Very low158 Ų158129.3 Ų129.369%0.68767%0.667SS**  trans61.4109.6144.6-73.4-179.6161-162.90122.6
1208Q23.7Very low24.5Very low150 Ų150127.1 Ų127.170%0.70165%0.649SS**  96.3153.5108.5-78.2-179.1-70.300123.3
1209I26.6Very low24.2Very low165 Ų165127.6 Ų127.685%0.84664%0.644SS**  trans93.9151.6158.6-70.7146.6000117.7
1210M21.3Very low24.2Very low166 Ų166124.8 Ų124.882%0.81863%0.633SS**  trans-103.7165.7-159.2-56.1169.7170.900113.7
1211S22.3Very low23.9Very low102 Ų102125.9 Ų125.971%0.71364%0.636SS**  trans73.4142.914878.50000118.7
1212R22.8Very low24Very low239 Ų239123.3 Ų123.390%0.90264%0.635SS**  trans67.2147.1-179.9-51.7177.3-179.2-177.8-0.7112.8
1213S21.9Very low24Very low94 Ų94123.9 Ų123.966%0.65764%0.644SS**  cis-170.1136.3-12.841.70000111.5
1214F22.7Very low23.9Very low147 Ų147121.3 Ų121.365%0.64564%0.638SS**  trans77158.9150.2-75.3-134.9000121.4P1951F1214-P1951 HydrophobicContact CB-CG 3.59Å; F1214-P1951 HydrophobicContact CD1-CG 3.31Å; F1214-P1951 HydrophobicContact CD2-CG 4.32Å; F1214-P1951 HydrophobicContact CE1-CG 4.04Å; F1214-P1951 HydrophobicContact CG-CG 3.47Å; F1214-P1951 VanDerWaalsContact CG-CG 3.47Å
1215Q25.2Very low23.7Very low106 Ų106123.7 Ų123.750%0.49565%0.649SS.*  trans82.558.6169.4-58.6-56.1-15.300126T1950 P1951 H1952Q1215-T1950 PolarHBondContact NE2-O 2.93Å; Q1215-T1950 PolarHBondContact OE1-OG1 3.45Å; Q1215-P1951 HydrophobicContact CB-CB 4.42Å; Q1215-P1951 HydrophobicContact CG-CB 4.36Å; Q1215-P1951 HydrophobicContact CG-CG 4.29Å; Q1215-H1952 VanDerWaalsContact C-CD2 3.45Å
1216S25.7Very low23.5Very low13 Ų13125 Ų1259%0.09165%0.653CS.*  trans57.6155.6142-127.50000126.4N1909 T1950 H1952S1216-N1909 PolarHBondContact OG-O 3.16Å; S1216-N1909 VanDerWaalsContact OG-O 3.09Å; S1216-T1950 VanDerWaalsContact OG-CG2 3.28Å; S1216-T1950 WeakPolarHBondContact OG-CG2 3.46Å; S1216-H1952 VanDerWaalsContact C-CE1 3.42Å; S1216-H1952 VanDerWaalsContact N-CB 3.3Å; S1216-H1952 PolarHBondContact N-CD2 2.81Å; S1216-H1952 VanDerWaalsContact N-CD2 3.28Å; S1216-H1952 PolarHBondContact O-CE1 2.78Å
1217S23.9Very low23.4Very low44 Ų44124.9 Ų124.931%0.30866%0.658SS.*BIsolated β-bridgetrans-167.3172.4176.767.70000115.3A1908 N1909S1217-A1908 VanDerWaalsContact C-C 3.47Å; S1217-A1908 CarbonylContact C-O 3.52Å; S1217-A1908 VanDerWaalsContact CA-O 3.32Å; S1217-A1908 WeakPolarHBondContact CA-O 3.47Å; S1217-N1909 CarbonylContact C-O 2.98Å; S1217-N1909 CarbonylContact O-C 3.59Å; S1217-N1909 VanDerWaalsContact O-C 3.26Å
1218T24.6Very low23.2Very low68 Ų68122.3 Ų122.342%0.41766%0.66SS.*  trans100.391155.6-45.90000121.4A1908 P1910T1218-A1908 VanDerWaalsContact N-C 3.32Å; T1218-A1908 PolarHBondContact N-O 3.38Å; T1218-P1910 CarbonylContact O-C 3.53Å; T1218-P1910 WeakPolarHBondContact O-CA 3.42Å
1219I24.3Very low23.3Very low117 Ų117120.9 Ų120.960%0.666%0.661SS**  trans80.9159.6144.1-47.4167.5000120.6N1909I1219-N1909 WeakPolarHBondContact O-CB 3.5Å; I1219-N1909 PolarHBondContact O-ND2 3.02Å
1220V22.1Very low23.2Very low93 Ų93119.2 Ų119.256%0.56466%0.659SS**  trans68144.5174-1090000117.2
1221T20.8Very low23.2Very low123 Ų123118.9 Ų118.976%0.75566%0.657SS**  cis-147.8160.913.9-37.40000113.4
1222I27.6Very low23.2Very low158 Ų158120 Ų12081%0.8166%0.655SS**  trans-59.3133.8158.2-69.2166.4000109.1
1223P24.8Very low23.5Very low108 Ų108115.8 Ų115.870%0.70165%0.648SS**  -154.9179.491.342.4-22.6000117.9
1224I21.8Very low23.7Very low135 Ų135116.6 Ų116.669%0.69265%0.651SS**  trans-46.5129.9154-60.8156.8000110.3F295F295-I1224 HydrophobicContact CZ-CD1 4.07Å
1225Q20.3Very low23.6Very low187 Ų187120.6 Ų120.687%0.87466%0.662SS**  trans-157.5144.8139.2-122.21715.800113.7
1226T21.1Very low23.9Very low116 Ų116121 Ų12171%0.71268%0.677SS**  trans-76.8137.8167.7410000110.6
1227T21.7Very low24.1Very low134 Ų134125.5 Ų125.582%0.82271%0.706SS**  167154.2123.836.10000113.9
1228S22.3Very low24Very low104 Ų104129.5 Ų129.573%0.72773%0.728SS**  trans67.766.8150.9-57.50000121.9
1229T24.8Very low23.9Very low120 Ų120136.7 Ų136.774%0.73675%0.749SS**  46.9123.5111.4-41.10000122.4
1230T24.7Very low23.9Very low129 Ų129135.6 Ų135.679%0.79175%0.752SS**  trans69.4148.8157.348.30000119.7
1231M22.2Very low24Very low160 Ų160139 Ų13979%0.78876%0.759SS**  cis-134.615219.8-97.6-156.216200116.8
1232L22.9Very low24.2Very low126 Ų126140.7 Ų140.766%0.6676%0.756SS**  trans40.1106.8141.5-58.4176.7000122.7
1233I28.1Very low24.1Very low149 Ų149137.8 Ų137.876%0.76475%0.745SS**  34.7121.2103.2-60.6169000116.9
1234P25.7Very low24.2Very low112 Ų112136.8 Ų136.873%0.72773%0.734SS**  -147.6129.7110.133.9-16.1000118.8
1235R21.5Very low24.5Very low230 Ų230135.2 Ų135.287%0.86873%0.727SS**  trans65.6113131.1-63.4176.9176.2153.2-0.1121.9
1236S31.7Very low24.8Very low115 Ų115131.7 Ų131.780%0.80471%0.705SS**  trans-53.8149.7142.9-176.20000111.5
1237P28.6Very low25.1Very low108 Ų108129.5 Ų129.570%0.70169%0.689SS**  -156.3174.699.243.9-25.9000117.6
1238V23.5Very low25.2Very low127 Ų127129.3 Ų129.377%0.7768%0.683SS**  trans60.9104.7164.3-161.40000117.6
1239Y22.3Very low25.7Very low219 Ų219129.4 Ų129.486%0.85968%0.682SS**  78.9135.257-111.1-87.1000118.4
1240S22.9Very low25.7Very low94 Ų94129.4 Ų129.466%0.65768%0.684SS**  trans73.6143.4162.186.50000116.1
1241K24.4Very low25.8Very low164 Ų164130.3 Ų130.371%0.71368%0.683SS**  cis-159.7163-2.2-110.1160.7-178.11730106.2
1242F24.6Very low25.9Very low159 Ų159130.7 Ų130.770%0.69768%0.682SS**  cis-162.615218.9-126.6-30.8000110.4
1243V26.1Very low25.8Very low97 Ų97133 Ų13359%0.58869%0.694SS**  51.9138128.9143.40000120.6
1244D26.7Very low25.8Very low87 Ų87131.5 Ų131.547%0.46569%0.694SS.*  cis-159173.70.1-105.5-13.6000110R1246D1244-R1246 WeakPolarHBondContact OD1-CG 3.43Å; D1244-R1246 IonicContact OD1-CZ 3.24Å; D1244-R1246 IonicContact OD1-NE 2.71Å; D1244-R1246 PolarHBondContact OD1-NE 3.37Å; D1244-R1246 IonicContact OD1-NH2 3.4Å; D1244-R1246 PolarHBondContact OD1-NH2 2.82Å; D1244-R1246 IonicContact OD2-CZ 3.36Å; D1244-R1246 VanDerWaalsContact OD2-CZ 3.3Å; D1244-R1246 IonicContact OD2-NE 3.75Å; D1244-R1246 PolarHBondContact OD2-NE 3.5Å; D1244-R1246 IonicContact OD2-NH2 3.82Å; D1244-R1246 PolarHBondContact OD2-NH2 2.74Å
1245L27.9Very low25.7Very low102 Ų102133.9 Ų133.953%0.53470%0.699SS.*  cis-121.8155.76.3-80.791.6000110.3R1885L1245-R1885 HydrophobicContact CD2-CB 3.81Å; L1245-R1885 HydrophobicContact CD2-CG 4.33Å
1246R27.1Very low25.7Very low114 Ų114130.3 Ų130.343%0.4370%0.697SS.*  cis84.7139.231.7-66.4-146-129.3-172.38.6117D1244 R1885D1244-R1246 WeakPolarHBondContact OD1-CG 3.43Å; D1244-R1246 IonicContact OD1-CZ 3.24Å; D1244-R1246 IonicContact OD1-NE 2.71Å; D1244-R1246 PolarHBondContact OD1-NE 3.37Å; D1244-R1246 IonicContact OD1-NH2 3.4Å; D1244-R1246 PolarHBondContact OD1-NH2 2.82Å; D1244-R1246 IonicContact OD2-CZ 3.36Å; D1244-R1246 VanDerWaalsContact OD2-CZ 3.3Å; D1244-R1246 IonicContact OD2-NE 3.75Å; D1244-R1246 PolarHBondContact OD2-NE 3.5Å; D1244-R1246 IonicContact OD2-NH2 3.82Å; D1244-R1246 PolarHBondContact OD2-NH2 2.74Å; R1246-R1885 HydrophobicContact CB-CG 4.09Å
1247D27.4Very low25.4Very low69 Ų69129.8 Ų129.837%0.36969%0.691SS.*  cis-149.1173.8-46.3-9.5-108.6000104.9R1885D1247-R1885 VanDerWaalsContact C-CZ 3.4Å; D1247-R1885 VanDerWaalsContact CB-CZ 3.5Å; D1247-R1885 VanDerWaalsContact CB-NH2 3.32Å; D1247-R1885 VanDerWaalsContact CG-NH2 3.32Å; D1247-R1885 WeakPolarHBondContact O-CD 3.5Å; D1247-R1885 VanDerWaalsContact O-CZ 3.27Å; D1247-R1885 PolarHBondContact O-NE 3.06Å; D1247-R1885 PolarHBondContact O-NH1 2.71Å; D1247-R1885 IonicContact OD2-CZ 3.62Å; D1247-R1885 IonicContact OD2-NE 3.85Å; D1247-R1885 PolarHBondContact OD2-NE 2.71Å; D1247-R1885 IonicContact OD2-NH2 3.16Å; D1247-R1885 PolarHBondContact OD2-NH2 2.73Å
1248D24Very low25.3Very low130 Ų130132.1 Ų132.170%0.69570%0.697SS**  cis76.9168.420.8-48.1-65.1000114.7R1885D1248-R1885 PolarHBondContact O-NH1 3.1Å; D1248-R1885 PolarHBondContact O-NH2 3.41Å
1249P33.3Very low25.2Very low107 Ų107133.2 Ų133.270%0.69570%0.698SS**  cis-126.8177.7-5.942.7-27.6000115
1250P24.1Very low25.4Very low120 Ų120132.8 Ų132.878%0.77970%0.701SS**  trans-80.3169.8158.535.4-35.7000112.4
1251L25.9Very low25.4Very low147 Ų147133 Ų13377%0.7770%0.698SS**  trans-120.1117.8172.5-86167.9000112.2
1252E24.9Very low25.4Very low168 Ų168130.2 Ų130.279%0.78570%0.695SS**  35.3116128.3-60.1179.4154.800120
1253L20.2Very low25.3Very low174 Ų174129.4 Ų129.491%0.91169%0.693SS**PPolyproline II helixtrans-87.1117.5142-83.1166.2000108.3
1254P28.2Very low25.2Very low118 Ų118131.3 Ų131.377%0.76669%0.694SS**PPolyproline II helixtrans-78.7130.6172.830.5-32.3000110.9
1255I24.4Very low25.2Very low162 Ų162135.2 Ų135.283%0.83171%0.706SS**PPolyproline II helixtrans-72.1135.6170.5-66167.8000109.1P1257I1255-P1257 WeakPolarHBondContact O-CD 3.41Å
1256L21Very low25Very low155 Ų155137.3 Ų137.381%0.81271%0.713SS**PPolyproline II helixtrans-91.2125.5167.1-109.1168.5000110
1257P26.5Very low24.8Very low104 Ų104140.1 Ų140.168%0.67573%0.729SS**  trans-113.1121.8153.633.9-25.9000111.2I1255I1255-P1257 WeakPolarHBondContact O-CD 3.41Å
1258D25.9Very low24.6Very low157 Ų157143.4 Ų143.484%0.8474%0.742SS**  trans34.8133.6154.2-62.8-20.8000123.2K1260D1258-K1260 PolarHBondContact O-N 3.3Å
1259L21.2Very low24.6Very low150 Ų150141.5 Ų141.579%0.78574%0.735SS**  trans-61.7124.1154.1-60.1107.2000110.9T1261L1259-T1261 HydrophobicContact CD2-CG2 3.97Å
1260K26.4Very low24.2Very low211 Ų211142.8 Ų142.892%0.91773%0.732SS**  -124.9112.4129.3-81.6-163.4174.5178.60110.5D1258D1258-K1260 PolarHBondContact O-N 3.3Å
1261T23.1Very low24.5Very low98 Ų98142.9 Ų142.960%0.60172%0.72SS**  trans-80.7165.3-177.846.20000112.3L1259L1259-T1261 HydrophobicContact CD2-CG2 3.97Å
1262T23.7Very low25.2Very low105 Ų105139.3 Ų139.364%0.64470%0.699SS**  trans72.3108.5140.7460000120.8
1263E23.2Very low26Very low142 Ų142139.2 Ų139.266%0.66470%0.698SS**  82.9147.5122.8-61.3-172.3170.200119.7
1264K25.1Very low26.4Very low138 Ų138139.7 Ų139.760%0.669%0.693SS**  cis-162.5141.7-9.6-115.2165.7-169.5152.20110.4
1265K25.1Very low26.3Very low168 Ų168139.3 Ų139.373%0.7369%0.688SS**  trans65.8157.8144.1-62.6171.8159.3-156.40119.1
1266Q24.8Very low26.4Very low146 Ų146136.6 Ų136.668%0.68268%0.675SS**  cis-159134.3-21-110167.2-68.900110.4
1267K23.3Very low26.8Very low173 Ų173135.9 Ų135.975%0.75267%0.672SS**  trans22.8150.4132.7-65.1177.6160.2-1150120.7
1268Q23.3Very low27.5Very low138 Ų138135.7 Ų135.765%0.64567%0.669SS**  cis178.71743.3-107.5-175.5-110.700108.6
1269T24Very low27.3Very low90 Ų90132.1 Ų132.155%0.55265%0.653SS**  cis-169.1175.8-32.126.60000110.7
1270E24.1Very low27.4Very low134 Ų134127.7 Ų127.763%0.62663%0.634SS**  trans81.6174.2167.4-64.8171.5-157.500119.4S1280E1270-S1280 WeakPolarHBondContact OE2-CB 3.28Å; E1270-S1280 PolarHBondContact OE2-OG 3.06Å
1271F30.9Very low27.6Very low123 Ų123120.5 Ų120.554%0.53961%0.609SS.*  trans123.3142.9166.2-53.8-5.4000116V1278 T1279F1271-V1278 HydrophobicContact CD2-CG1 3.79Å; F1271-V1278 HydrophobicContact CE2-CG1 3.43Å; F1271-V1278 VanDerWaalsContact CE2-CG1 3.43Å; F1271-V1278 HydrophobicContact CZ-CG1 4.25Å; F1271-T1279 WeakPolarHBondContact CA-O 3.48Å; F1271-T1279 WeakPolarHBondContact CB-O 3.26Å
1272K40.9Very low27.5Very low72 Ų72122.5 Ų122.531%0.31362%0.616SS.*  cis-160.5144-10.9-177156.1-168.4177.60113.5K1274 D1276 N1277 V1278 T1279K1272-K1274 WeakPolarHBondContact CE-O 3.35Å; K1272-D1276 VanDerWaalsContact CD-O 3.3Å; K1272-D1276 WeakPolarHBondContact CD-O 3.48Å; K1272-D1276 WeakPolarHBondContact CE-O 3.46Å; K1272-D1276 PolarHBondContact NZ-O 3.09Å; K1272-N1277 PolarHBondContact NZ-O 2.73Å; K1272-V1278 VanDerWaalsContact CD-O 3.25Å; K1272-V1278 WeakPolarHBondContact CD-O 3.47Å; K1272-V1278 WeakPolarHBondContact CE-O 3.06Å; K1272-V1278 PolarHBondContact NZ-O 3.45Å; K1272-T1279 WeakPolarHBondContact CA-O 3.18Å; K1272-T1279 WeakPolarHBondContact CB-O 3.21Å; K1272-T1279 WeakPolarHBondContact CD-O 3.43Å; K1272-T1279 WeakPolarHBondContact CE-OG1 3.12Å; K1272-T1279 WeakPolarHBondContact CG-O 3.47Å; K1272-T1279 PolarHBondContact NZ-OG1 2.74Å
1273Q41.4Very low27.5Very low165 Ų165121.4 Ų121.477%0.77161%0.613SS**  trans-161.6140.2147-58.1-169.12.200110.2
1274K27.7Very low27.3Very low185 Ų185120.4 Ų120.480%0.80462%0.617SS**SBendcis-49.71447.9-148.7-167.1-176.5-176.30114.6K1272K1272-K1274 WeakPolarHBondContact CE-O 3.35Å
1275V26.4Very low27.2Very low109 Ų109120.7 Ų120.766%0.66163%0.625SS**SBendtrans-47.9138.2151.7175.90000109.1
1276D25.6Very low27Very low106 Ų106121.8 Ų121.857%0.56763%0.633SS**SBendcis-104.5169.89-46.1-90.7000113.6K1272K1272-D1276 VanDerWaalsContact CD-O 3.3Å; K1272-D1276 WeakPolarHBondContact CD-O 3.48Å; K1272-D1276 WeakPolarHBondContact CE-O 3.46Å; K1272-D1276 PolarHBondContact NZ-O 3.09Å
1277N30.5Very low26.8Very low140 Ų140122.1 Ų122.175%0.74963%0.632SS**SBendtrans38.4108.6145.1-51.8-22000118.6K1272K1272-N1277 PolarHBondContact NZ-O 2.73Å
1278V41.7Very low26.7Very low99 Ų99120.7 Ų120.760%0.663%0.628SS**SBendtrans65.3131.4157.6-162.70000118.1F1271 K1272F1271-V1278 HydrophobicContact CD2-CG1 3.79Å; F1271-V1278 HydrophobicContact CE2-CG1 3.43Å; F1271-V1278 VanDerWaalsContact CE2-CG1 3.43Å; F1271-V1278 HydrophobicContact CZ-CG1 4.25Å; K1272-V1278 VanDerWaalsContact CD-O 3.25Å; K1272-V1278 WeakPolarHBondContact CD-O 3.47Å; K1272-V1278 WeakPolarHBondContact CE-O 3.06Å; K1272-V1278 PolarHBondContact NZ-O 3.45Å
1279T21Very low26.7Very low82 Ų82118.8 Ų118.850%0.50363%0.63SS.*  trans104.9155-168.172.90000116.6F1271 K1272F1271-T1279 WeakPolarHBondContact CA-O 3.48Å; F1271-T1279 WeakPolarHBondContact CB-O 3.26Å; K1272-T1279 WeakPolarHBondContact CA-O 3.18Å; K1272-T1279 WeakPolarHBondContact CB-O 3.21Å; K1272-T1279 WeakPolarHBondContact CD-O 3.43Å; K1272-T1279 WeakPolarHBondContact CE-OG1 3.12Å; K1272-T1279 WeakPolarHBondContact CG-O 3.47Å; K1272-T1279 PolarHBondContact NZ-OG1 2.74Å
1280S22.9Very low26.6Very low57 Ų57121.5 Ų121.540%0.39964%0.638SS.*  trans-68.4167.2-163.768.20000116.3E1270E1270-S1280 WeakPolarHBondContact OE2-CB 3.28Å; E1270-S1280 PolarHBondContact OE2-OG 3.06Å
1281P31Very low26.6Very low60 Ų60120.1 Ų120.139%0.3964%0.635SS.*  cis-121.3-133.147.826-0000113.6
1282N20.8Very low26.6Very low140 Ų140120.7 Ų120.775%0.74965%0.648SS**  cis-166.5166.910.7-165.930.9000115.6
1283S22.6Very low25.8Very low82 Ų82122.7 Ų122.757%0.57366%0.661SS**  trans43.6127.9160.356.10000121.9
1284T20.8Very low24.8Very low122 Ų122123.7 Ų123.775%0.74866%0.663SS**  73.3145.781.2-32.10000115.2
1285D22.8Very low24.6Very low143 Ų143123.1 Ų123.177%0.76566%0.664SS**  trans65.1138.5-177.6-53.5-31.4000115.1
1286Q19.3Very low24.8Very low192 Ų192126 Ų12690%0.89767%0.669SS**  cis64.745.50.8-140.7-170.494.900118.6
1287K22.1Very low24.7Very low153 Ų153127 Ų12767%0.66568%0.68SS**  trans-158.5129131.9-103.9175.7178.5-68.60107.6
1288E21.4Very low24.4Very low142 Ų142131 Ų13166%0.66468%0.684SS**  73.8141.572.4-170.6-169.6-83.400111.5
1289S22.3Very low23.6Very low98 Ų98133.4 Ų133.469%0.68569%0.693SS**  trans73.5154.317095.30000115.2
1290M23Very low23.9Very low147 Ų147133.4 Ų133.472%0.72470%0.701SS**  cis-162161.8-18.3-123.8161.162.300110.4
1291N24.1Very low24.3Very low105 Ų105136 Ų13656%0.56172%0.717SS**  trans62.1136.8157.4-54.5-12.8000117.4I1293N1291-I1293 WeakPolarHBondContact OD1-CD1 3.29Å
1292T30.4Very low24Very low135 Ų135141.2 Ų141.283%0.82874%0.74SS**  cis-118.2130.77.116.70000109
1293I23.1Very low24.2Very low114 Ų114138.6 Ų138.659%0.58574%0.738SS**  cis60.7109.148.7-55.2-176.2000112.3N1291N1291-I1293 WeakPolarHBondContact OD1-CD1 3.29Å
1294K22.4Very low24.2Very low186 Ų186139.7 Ų139.781%0.80975%0.746SS**  trans16.3128.5146.2-47.5169-175.4174.20117.4
1295E23.3Very low24.2Very low174 Ų174139 Ų13981%0.81375%0.745SS**  -161.9171.3123.6-121157.4-159.600114.2
1296H29.7Very low24.1Very low168 Ų168138.9 Ų138.978%0.77874%0.74SS**  trans62.969168.5-63.4-57.5000121.6
1297T23.6Very low24.5Very low129 Ų129136.3 Ų136.379%0.79174%0.737SS**  trans-43.8139.3138.3-41.60000113.9
1298R23.5Very low24.5Very low222 Ų222135.3 Ų135.384%0.83874%0.743SS**  172.4147.6125.4-100.1177.1178.9-172.50117.6
1299L25.7Very low24.7Very low151 Ų151133.1 Ų133.179%0.79174%0.741SS**  trans69.8121.4146.1-67.6164.3000122.1
1300A26.1Very low24.7Very low81 Ų81135.5 Ų135.567%0.66975%0.746SS**  trans-90.3174.4135.300000108.7
1301P32.4Very low24.7Very low112 Ų112138.2 Ų138.273%0.72776%0.757SS**  -159.6-17382.135.7-11.3000117.7
1302L25.5Very low24.7Very low169 Ų169138.7 Ų138.789%0.88577%0.769SS**  trans109.9150.7150.9-65.4172000120.7
1303A24.5Very low24.2Very low85 Ų85140.9 Ų140.970%0.70277%0.77SS**  trans-135.6-175.8177.800000107
1304S21.9Very low24.3Very low106 Ų106141.4 Ų141.474%0.74178%0.778SS**  cis-168.8176.531.5-470000112
1305C21.8Very low24.3Very low106 Ų106138.7 Ų138.772%0.71678%0.777SS**  trans97124.7143.3-74.70000121.9
1306E20.2Very low24.2Very low142 Ų142135.4 Ų135.466%0.66477%0.774SS**  trans72.7167.3152.8-63.8-177.5130.300118.1R1946E1306-R1946 IonicContact OE1-CZ 2.8Å; E1306-R1946 IonicContact OE1-NH2 2.72Å; E1306-R1946 PolarHBondContact OE1-NH2 3.45Å; E1306-R1946 IonicContact OE2-CZ 2.77Å; E1306-R1946 IonicContact OE2-NH1 2.71Å; E1306-R1946 IonicContact OE2-NH2 3.92Å; E1306-R1946 PolarHBondContact OE2-NH2 3.31Å
1307V27.9Very low24Very low138 Ų138134.6 Ų134.684%0.83678%0.775SS**  trans77.7132.2177.4-169.20000116.9
1308V22.2Very low23.9Very low132 Ų132136.3 Ų136.380%0.877%0.771SS**  trans-107.6140.1165.2172.40000105.9
1309P25.6Very low23.9Very low96 Ų96132.7 Ų132.762%0.62376%0.763SS**SBendcis-121.7-162.7-5.940.9-24.6000112.9
1310D22.7Very low23.6Very low147 Ų147134.9 Ų134.979%0.78677%0.77SS**  trans63.290.3158.1-57.3-20.9000119.6
1311E22.9Very low23.4Very low204 Ų204137.4 Ų137.495%0.95377%0.771SS**  trans-122.9127.3154.4-84-161.6114.300111.1
1312S22.4Very low22.9Very low116 Ų116140.3 Ų140.381%0.81177%0.773SS**  trans-142.94.3-148540000120
1313E21.9Very low22.7Very low181 Ų181137.6 Ų137.685%0.84676%0.759SS**  trans-99.6164.3-161.6-117.3176.9-14200118.5
1314T23.2Very low22.7Very low125 Ų125137.6 Ų137.677%0.76775%0.747SS**SBendtrans76.844.6-178.568.90000119.8
1315T23.2Very low22.9Very low128 Ų128138.8 Ų138.879%0.78574%0.739SS**  trans45.8100.6132.357.80000120.9
1316S22.5Very low23Very low106 Ų106139.5 Ų139.574%0.74173%0.732SS**  155.9119.5122.3-73.50000116.8
1317L23.7Very low23.2Very low151 Ų151140.6 Ų140.679%0.79174%0.74SS**  trans62.5141.4148.4-52.3170.4000119
1318K23.1Very low22.8Very low165 Ų165138.4 Ų138.472%0.71773%0.732SS**  cis-159.6172.1-11-126.9178.9-174.2178.70110.4
1319Q22.8Very low22.8Very low145 Ų145137.9 Ų137.968%0.67873%0.728SS**  trans-104.1164.5-160.7-61.7160.1-88.200116.8L1321Q1319-L1321 HydrophobicContact CB-CB 4.23Å; Q1319-L1321 PolarHBondContact O-N 2.93Å
1320E19.3Very low22.6Very low198 Ų198138.3 Ų138.393%0.92573%0.733SS**SBendtrans-61.481.7134.5-83.5-165.1131.900109.5
1321L22.5Very low22.7Very low134 Ų134137.6 Ų137.670%0.70274%0.735SS**SBendtrans-168.7157.7156.4-122.8131.8000111.6Q1319 N1323Q1319-L1321 HydrophobicContact CB-CB 4.23Å; Q1319-L1321 PolarHBondContact O-N 2.93Å; L1321-N1323 PolarHBondContact O-N 3.07Å
1322F20.8Very low22.7Very low173 Ų173130.7 Ų130.776%0.75972%0.719SS**  trans-51.1132.4161.1-115.4-116.1000110.9
1323N22Very low22.9Very low112 Ų112132.3 Ų132.360%0.59972%0.718SS**  trans62.5149.6138.1-83-6.5000120.2L1321L1321-N1323 PolarHBondContact O-N 3.07Å
1324N24.3Very low23Very low85 Ų85130.1 Ų130.146%0.45571%0.712SS.*  cis-167.2159.2-15.8-137.5-28.1000109.6
1325K25.6Very low23.3Very low130 Ų130129.1 Ų129.157%0.56571%0.706SS**  trans59.5-177151.5-69.2158.8-172165.40114.9
1326Q24.5Very low23.5Very low122 Ų122129 Ų12957%0.5770%0.7SS**  cis-150126.1-43.2-109164.9-8.600110.2
1327I23.8Very low23.6Very low164 Ų164130.1 Ų130.184%0.84170%0.698SS**  trans-135.5108.6147.6-73.1-172.8000103.2
1328S20.7Very low23.7Very low93 Ų93127.9 Ų127.965%0.6569%0.691SS**  cis68.5139.647.696.60000111.4
1329V21.8Very low23.8Very low121 Ų121125.8 Ų125.873%0.73369%0.687SS**  cis-157.7165.9-5.293.90000107.2
1330S21.2Very low24Very low104 Ų104126.2 Ų126.273%0.72769%0.689SS**  trans61.7156.8172.268.80000115.7
1331T24.5Very low24.3Very low132 Ų132123.1 Ų123.181%0.8168%0.679SS**  cis-145.9142.7-238.20000104.1
1332G22.9Very low24.4Very low60 Ų60121.6 Ų121.662%0.61967%0.671SS**  cis102.1150.841.200000108.3
1333N26.9Very low24.7Very low150 Ų150119 Ų11980%0.80267%0.666SS**  trans73.3132.4-171.9-60.4-12.4000114.4
1334N24.5Very low24.8Very low134 Ų134119.9 Ų119.972%0.71766%0.664SS**  cis-164.6177.6-11-135.5-20.3000114.7
1335V28.6Very low25Very low105 Ų105125.5 Ų125.564%0.63668%0.68SS**  trans84.7120.6140.3151.70000119.2
1336N28.3Very low24.9Very low124 Ų124126.6 Ų126.666%0.66369%0.687SS**  trans79.7118.8153.2-69.96.2000119
1337N24.7Very low25.1Very low130 Ų130126.6 Ų126.670%0.69570%0.698SS**  95.4140.251.1-773.5000110.1
1338T24.5Very low25Very low104 Ų104122.8 Ų122.864%0.63868%0.679SS**  cis-169.2172.33.215.60000110.5
1339N25.7Very low25.6Very low121 Ų121122.6 Ų122.665%0.64768%0.676SS**  trans76115.9152.5-64.3-3.7000116.9
1340H26.6Very low25.8Very low155 Ų155121 Ų12172%0.71867%0.67SS**  85.6140.281.9-71.8-44.8000112.2
1341N26.3Very low26Very low132 Ų132120.7 Ų120.771%0.70666%0.657SS**  cis-159.5-174.70.7-97-17.7000107.8
1342D23.7Very low26.2Very low103 Ų103117.8 Ų117.855%0.55164%0.637SS**  cis176.2162.7-46.4-169.712.1000107.6K1344D1342-K1344 VanDerWaalsContact OD1-CE 3.24Å; D1342-K1344 WeakPolarHBondContact OD1-CE 3.4Å; D1342-K1344 IonicContact OD1-NZ 2.93Å; D1342-K1344 PolarHBondContact OD1-NZ 3.23Å; D1342-K1344 IonicContact OD2-NZ 3.91Å; D1342-K1344 PolarHBondContact OD2-NZ 3.08Å
1343N27.5Very low26.4Very low119 Ų119120.8 Ų120.864%0.63664%0.638SS**  trans82.5121173.7-46.5-60000117.3
1344K25.3Very low26.3Very low129 Ų129118.5 Ų118.556%0.56163%0.634SS**  cis85.7132.249.5-61.5150.4-143.9150.70111.2D1342D1342-K1344 VanDerWaalsContact OD1-CE 3.24Å; D1342-K1344 WeakPolarHBondContact OD1-CE 3.4Å; D1342-K1344 IonicContact OD1-NZ 2.93Å; D1342-K1344 PolarHBondContact OD1-NZ 3.23Å; D1342-K1344 IonicContact OD2-NZ 3.91Å; D1342-K1344 PolarHBondContact OD2-NZ 3.08Å
1345Y27.7Very low26.6Very low203 Ų203118.9 Ų118.980%0.79664%0.641SS**  cis-134.7-167.923.3-67.7-86.9000111.7
1346E22.7Very low26.3Very low153 Ų153120.7 Ų120.772%0.71565%0.647SS**  cis75.5144.920.2-80.7154.9-179.100116.4
1347P30Very low26.4Very low123 Ų123119.8 Ų119.880%0.79965%0.648SS**  cis-136.4-155.514.444.6-24.2000117.9
1348D22.1Very low26.5Very low83 Ų83120.1 Ų120.144%0.44465%0.65SS.*  trans-103.7-152.4-171.3-69.9-65.5000114.8S4S4-D1348 VanDerWaalsContact CB-OD1 3.26Å; S4-D1348 WeakPolarHBondContact CB-OD1 3.5Å; S4-D1348 WeakPolarHBondContact CB-OD2 2.83Å; S4-D1348 VanDerWaalsContact OG-CG 3.25Å; S4-D1348 PolarHBondContact OG-OD1 2.76Å; S4-D1348 PolarHBondContact OG-OD2 2.85Å
1349P33Very low26.5Very low89 Ų89122.2 Ų122.258%0.57866%0.657SS**  cis-136.6-145-14.940.7-18.1000114.8R6R6-P1349 PolarHBondContact NH1-O 3.1Å
1350S25Very low26.6Very low87 Ų87124.8 Ų124.861%0.60866%0.664SS**  trans78.5171.3164.874.60000121.6R6R6-S1350 PolarHBondContact NH1-O 3.48Å
1351E26.6Very low26.5Very low99 Ų99121.6 Ų121.646%0.46366%0.66SS.*  -170.8159.4-71.5-108.7-179.1-131.800117.9N8 E9N8-E1351 WeakPolarHBondContact CA-OE1 3.25Å; N8-E1351 HydrophobicContact CB-CG 4.07Å; N8-E1351 PolarHBondContact OD1-OE2 3.07Å; E9-E1351 PolarHBondContact N-OE1 3.43Å
1352N28.5Very low26.4Very low71 Ų71122.9 Ų122.938%0.3867%0.665SS.*  trans71.7114145-61.2-9.1000129.3N8N8-N1352 WeakPolarHBondContact CB-OD1 3.27Å; N8-N1352 PolarHBondContact ND2-OD1 3.38Å; N8-N1352 PolarHBondContact OD1-ND2 3.48Å; N8-N1352 PolarHBondContact OD1-OD1 2.99Å
1353N27Very low26.4Very low122 Ų122123.3 Ų123.365%0.65267%0.671SS**  61.7145.6127.5-63.1-12.2000122.3
1354S24.3Very low26.2Very low103 Ų103122.5 Ų122.572%0.7267%0.674SS**  cis-170.4-178.2-12.256.30000111.9
1355V30.1Very low26.3Very low142 Ų142122.9 Ų122.986%0.86168%0.682SS**  trans97.9146.9171.6-1720000116.7
1356N22.7Very low26.6Very low143 Ų143120.2 Ų120.277%0.76568%0.676SS**  trans-127.5174-166.1-122.8-11.8000109
1357P30.9Very low26.9Very low105 Ų105118.9 Ų118.968%0.68267%0.673SS**  cis-143.6168.826.742.3-22.7000119.5
1358N26.6Very low26.8Very low136 Ų136119 Ų11973%0.72767%0.667SS**  trans67.6110.9147.9-68.7-4000123.1
1359L24.8Very low27.1Very low149 Ų149119.6 Ų119.678%0.7867%0.67SS**  trans62.1113.6146.9-81.780.5000121.3
1360H27.2Very low26.7Very low174 Ų174125.2 Ų125.281%0.80668%0.68SS**  38.5137.1129.9-76.5-75.7000121.9
1361S24.6Very low26.8Very low89 Ų89128.9 Ų128.962%0.62269%0.692SS**  cis168.5156.6-23.945.70000107.9
1362I24.4Very low26.8Very low158 Ų158129.8 Ų129.881%0.8170%0.7SS**  cis-116.7-130.14.6-14.5175.6000108.8
1363T23.3Very low26.6Very low112 Ų112134.2 Ų134.269%0.68772%0.719SS**  cis-152.1169-2.3-36.80000109
1364C23.6Very low26.4Very low102 Ų102132.9 Ų132.969%0.68972%0.719SS**  trans100.7141.2156.5-600000119.3
1365N27Very low26.5Very low137 Ų137137.5 Ų137.573%0.73373%0.726SS**  trans70.4148.4160.9-62.1-11.2000117.1
1366H34.9Very low26.2Very low147 Ų147135.2 Ų135.268%0.68172%0.716SS**  cis-1521585.7-124.1-24000112.1
1367L28.4Very low26.3Very low125 Ų125135.6 Ų135.665%0.65472%0.717SS**  trans62.8115.6142.2-73165.2000121.2
1368D27.1Very low25.8Very low125 Ų125138.7 Ų138.767%0.66873%0.727SS**  66.8143.4116-77.429.3000123.3
1369N28.9Very low25.6Very low96 Ų96137.7 Ų137.751%0.51372%0.722SS.*  cis-159.3156.4-21.5-129.2-28.9000112.7
1370R25.5Very low25.6Very low208 Ų208137.3 Ų137.379%0.78572%0.716SS**  trans29.797.6148-66150-158.2-124.9-1.3118.4
1371L26.7Very low25.5Very low163 Ų163135.9 Ų135.985%0.85371%0.71SS**  -166.7140.3123.1-118.782.7000107.6
1372N26.5Very low25.6Very low118 Ų118138.1 Ų138.163%0.63172%0.715SS**  cis-151171.1-12-150.4-2.8000113
1373Q25Very low25.5Very low165 Ų165139.1 Ų139.177%0.77172%0.716SS**  trans-55.4-179.1150.5-56.7171.7-4.200111.9
1374S23.1Very low25.7Very low93 Ų93139.3 Ų139.365%0.6572%0.719SS**  trans73.6110-178.489.40000111.8
1375K25.5Very low25.6Very low201 Ų201143.2 Ų143.287%0.87472%0.724SS**  91.6152.380.6-82.4171.1-172.8172.70110.7
1376S22.8Very low25.7Very low94 Ų94141.4 Ų141.466%0.65772%0.72SS**SBendtrans-56.5151.9169.852.70000113.1
1377L24.7Very low25.2Very low150 Ų150141 Ų14179%0.78572%0.723SS**  trans77.1130.7157.7-58.2147.9000117.2
1378L22.1Very low25Very low171 Ų171142.7 Ų142.790%0.89573%0.727SS**  trans-111.976.1140.1-160.390.2000108.7
1379N22.3Very low24.9Very low114 Ų114142.7 Ų142.761%0.6173%0.732SS**  -107.7126.3119.4-102.317.7000103.7
1380Q24Very low24.9Very low141 Ų141143.8 Ų143.866%0.65974%0.741SS**  48.5118.998.5-64.4177.8-27.900111.1
1381E24.6Very low25Very low145 Ų145141.6 Ų141.668%0.67874%0.742SS**  cis173.1150.6-0.8-128.9-179.6105.800102.2
1382N28.2Very low24.9Very low136 Ų136138.7 Ų138.773%0.72773%0.731SS**  trans57.2139.2154.8-52.8-34.9000120.7
1383Q20.9Very low25Very low178 Ų178141.7 Ų141.783%0.83274%0.738SS**  trans-63.2160.9158.9-66.1-17238.900109.8
1384P27.7Very low24.9Very low116 Ų116140.2 Ų140.275%0.75373%0.732SS**  cis-144.3-167.932.639.5-17000117.3
1385K21.3Very low25Very low184 Ų184144.2 Ų144.280%0.874%0.74SS**  trans-55.9170.8159.8-39.1172-175.1172.50110.8
1386P29.3Very low25.1Very low99 Ų99137.7 Ų137.764%0.64373%0.73SS**  cis-138.6-171.77.845.4-28000115.2
1387D24.2Very low25.4Very low139 Ų139141 Ų14174%0.74374%0.739SS**  trans58.7164.8146.4-59.5-25.9000123.1
1388H25.5Very low25.6Very low161 Ų161141.7 Ų141.775%0.74574%0.735SS**  -170.5148.7-57.6-127.7-74.5000109.6
1389V25.3Very low25.9Very low125 Ų125138.2 Ų138.276%0.75872%0.721SS**  trans63.2134.8167.3-124.30000116.2
1390V27Very low26.1Very low118 Ų118135.2 Ų135.272%0.71571%0.709SS**  -175.8127.275.3165.20000110.4
1391M27.9Very low26.2Very low162 Ų162134.5 Ų134.580%0.79871%0.706SS**  trans60.5149.7155.5-60.5-70.1-169.900121.7
1392T25.7Very low26.3Very low103 Ų103137.4 Ų137.463%0.63271%0.711SS**  cis-169147.6-44.217.70000111.2
1393K27.1Very low26.2Very low180 Ų180140.8 Ų140.878%0.78372%0.715SS**  trans65.8152.7156.8-68.6174.5169.6-170.90117.6
1394Q24Very low26.3Very low135 Ų135139.3 Ų139.363%0.63171%0.706SS**  cis-152.7154.5-9.4-130.8167-90.500111
1395E24.9Very low26.2Very low176 Ų176142.1 Ų142.182%0.82271%0.708SS**  trans60.9142.6160.8-70.4162.6-130.100120.5
1396G27.9Very low26.4Very low64 Ų64139.2 Ų139.266%0.6670%0.701SS**  cis-178.4165.8-5.500000114.1
1397I28.7Very low26.1Very low165 Ų165141.5 Ų141.585%0.84671%0.707SS**  trans6494.6169.9-45.2178.4000115.8
1398K29.7Very low26.1Very low164 Ų164139.7 Ų139.771%0.71371%0.706SS**  83.878.160.4-68.4-174174.6179.50116.2R1771K1398-R1771 PolarHBondContact O-NH2 3.19Å
1399T28.5Very low26.1Very low97 Ų97140.5 Ų140.560%0.59571%0.71SS**  77.6165.989.357.60000115.3R1771T1399-R1771 VanDerWaalsContact C-NE 3.33Å; T1399-R1771 VanDerWaalsContact O-CZ 3.29Å; T1399-R1771 PolarHBondContact O-NE 3.13Å; T1399-R1771 VanDerWaalsContact O-NE 3.16Å; T1399-R1771 PolarHBondContact O-NH2 3.38Å; T1399-R1771 PolarHBondContact OG1-NE 3.4Å
1400S26.5Very low26.2Very low52 Ų52141.5 Ų141.536%0.36471%0.711SS.*  cis-178.3160-27.3590000109.9
1401E25.9Very low26.2Very low126 Ų126142.2 Ų142.259%0.58971%0.709SS**  trans67.6157.4146-68.7162121.500121.1
1402R27.3Very low26.2Very low206 Ų206138.6 Ų138.678%0.77770%0.7SS**  cis-152147.1-10.5-102.7157.1-155.3-160.110.2105.6
1403Y24.1Very low26.1Very low207 Ų207140.3 Ų140.381%0.81270%0.699SS**  cis80.3102.442.3-97.1-44.7000118.5
1404K24.8Very low26Very low147 Ų147134 Ų13464%0.63968%0.677SS**  83.8143.3124.6-115.5179.2173.8-168.90123.9
1405H25.2Very low26.1Very low175 Ų175132.6 Ų132.681%0.8167%0.674SS**  trans69.4148.6155.7-65.9-39.3000117.9
1406N24.9Very low26Very low122 Ų122130.4 Ų130.465%0.65267%0.672SS**  cis-137.9155.8-4.4-100.5-15.3000108.4
1407L23.1Very low25.9Very low147 Ų147133.2 Ų133.277%0.7768%0.676SS**  70.3147.367.1-116173.2000113.8
1408S25Very low25.6Very low101 Ų101132 Ų13271%0.70667%0.67SS**  trans-130.9159.6-139.9-37.80000117
1409E25Very low25.1Very low179 Ų179129.4 Ų129.484%0.83667%0.673SS**  trans-145.4176160.3-57.585.5-179.200108.2
1410D26.9Very low24.9Very low146 Ų146132.5 Ų132.578%0.78168%0.684SS**  -148.2-167.7-73.3-155.218.4000106.5
1411I28Very low24.6Very low133 Ų133134.9 Ų134.968%0.68270%0.7SS**  cis-158.8157.18.2-166.2162.9000111.6
1412S26.3Very low24.3Very low86 Ų86133.8 Ų133.860%0.60171%0.705SS**  trans37112.615567.50000123.6
1413K25.4Very low24Very low139 Ų139131.4 Ų131.460%0.60470%0.703SS**  64.1139.6102.4-70.5-165.1176-139.90121.4I740 I741I740-K1413 HydrophobicContact CB-CB 4.09Å; I740-K1413 HydrophobicContact CB-CD 3.96Å; I740-K1413 HydrophobicContact CB-CG 4.21Å; I740-K1413 HydrophobicContact CD1-CB 3.71Å; I740-K1413 HydrophobicContact CG1-CB 4.43Å; I740-K1413 HydrophobicContact CG2-CB 3.35Å; I740-K1413 HydrophobicContact CG2-CD 3.72Å; I740-K1413 HydrophobicContact CG2-CG 3.43Å; I740-K1413 VanDerWaalsContact CG2-CG 3.43Å; I740-K1413 PolarHBondContact O-NZ 3.4Å; I741-K1413 WeakPolarHBondContact O-CE 3.29Å; I741-K1413 PolarHBondContact O-NZ 3.46Å
1414S23.8Very low24Very low47 Ų47128 Ų12833%0.32970%0.699SS.*  trans-80.2176.1-162.463.90000121.4I740 I741I740-S1414 WeakPolarHBondContact CD1-O 3.32Å; I740-S1414 VanDerWaalsContact CG2-N 3.34Å; I740-S1414 VanDerWaalsContact CG2-OG 3.28Å; I740-S1414 WeakPolarHBondContact CG2-OG 3.17Å; I741-S1414 WeakPolarHBondContact CD1-OG 3.39Å
1415D26.8Very low24Very low106 Ų106129.1 Ų129.157%0.56771%0.707SS**  -167.7-164.5114.1-93.92.2000114.4S739S739-D1415 WeakPolarHBondContact CB-OD2 3.36Å; S739-D1415 PolarHBondContact OG-OD2 3.44Å
1416V22.9Very low24.1Very low130 Ų130127.2 Ų127.279%0.78871%0.71SS**  trans-108.2-177.2-159.5179.30000112.7
1417V24.9Very low24.3Very low122 Ų122126.7 Ų126.774%0.73971%0.711SS**  trans94.6104.2176.7-175.40000112.3
1418I21.9Very low24.3Very low139 Ų139127.5 Ų127.571%0.71371%0.711SS**  85.9114.564.4-67.7162.8000113.1
1419S19.5Very low24.3Very low110 Ų110129.2 Ų129.277%0.76971%0.708SS**  trans63.2170166.7-54.70000115.6
1420I24.8Very low24.2Very low163 Ų163128.2 Ų128.284%0.83670%0.701SS**  cis-125.7164.15.9-63.4167.1000109.9
1421S19.4Very low24Very low101 Ų101128.9 Ų128.971%0.70670%0.697SS**  trans-58.9174.1171-47.10000115.5
1422C21.1Very low23.8Very low103 Ų103132.5 Ų132.570%0.69670%0.703SS**  trans78.2115.5153.8-700000119.8
1423E20.3Very low24.4Very low156 Ų156133.5 Ų133.573%0.72971%0.708SS**  77.8134.5119.7-70.6-178.1108.100123.3
1424N23.3Very low24.8Very low136 Ų136132 Ų13273%0.72771%0.712SS**  trans79.8116.6143.6-60.1-18000120.9
1425Q25.7Very low24.9Very low170 Ų170134.6 Ų134.679%0.79473%0.726SS**  trans-59.4142155.3-58.5167-30.800109.9T1427Q1425-T1427 PolarHBondContact O-N 3.33Å
1426P28.1Very low24.8Very low135 Ų135137.7 Ų137.788%0.87774%0.737SS**  trans-84.6100.8163.432-30000110.2
1427T27.2Very low24.7Very low112 Ų112138.8 Ų138.869%0.68773%0.734SS**  trans-116.7119.6164.952.80000109.6Q1425Q1425-T1427 PolarHBondContact O-N 3.33Å
1428E23.7Very low24.8Very low164 Ų164139 Ų13977%0.76673%0.73SS**  trans-133.7119176.8-76.8-159.9174.300114.1
1429H24.5Very low25Very low137 Ų137138.9 Ų138.963%0.63474%0.735SS**  trans67150.2132.1-63.6-40.6000121.2
1430F23.6Very low25.4Very low157 Ų157137.2 Ų137.269%0.68973%0.728SS**  cis-135.6-169.34.8-58.7-94.2000110.4
1431K23.7Very low25.5Very low160 Ų160137.9 Ų137.970%0.69673%0.725SS**  cis-156.9113.90.8-143.9147.4-165.7160.70114.6
1432Y23.2Very low25.7Very low210 Ų210139.2 Ų139.282%0.82472%0.724SS**  trans61.9159.1141.4-81.1-104.2000123.6
1433P39.7Very low25.9Very low107 Ų107139.9 Ų139.970%0.69572%0.724SS**  trans-114.3-157.3-170.537.8-18.6000112.8
1434P32Very low26.1Very low108 Ų108137.6 Ų137.670%0.70172%0.721SS**  -154.9-162.289.342.8-22.4000116.5
1435T26.5Very low26Very low101 Ų101139.6 Ų139.662%0.6272%0.723SS**  trans74.2119.5156.644.70000121.7
1436E24.7Very low25.9Very low170 Ų170136.8 Ų136.879%0.79472%0.718SS**  62.5151121.3-60.7166.5-177.500120.1
1437E22Very low25.6Very low153 Ų153137 Ų13772%0.71571%0.712SS**  cis-157.9172-11.8-123.9-164.2147.300111.3
1438I25.4Very low25.4Very low128 Ų128138.9 Ų138.966%0.65671%0.713SS**  trans32.4110.7151-51.2159.6000118.9
1439V26Very low25.4Very low136 Ų136138.6 Ų138.682%0.82471%0.709SS**  -174.2135.6104.8161.40000109.7
1440A27.7Very low25.4Very low74 Ų74137.4 Ų137.461%0.61272%0.716SS**  trans-39178.3166.600000118
1441K28Very low25.5Very low178 Ų178138.4 Ų138.477%0.77472%0.72SS**  cis-163.8129.626.5-145.4142.3-169.8-179.70112.9
1442D24Very low25.7Very low129 Ų129134.9 Ų134.969%0.6971%0.709SS**  38.6139.6124.7-57.5-34.9000123.5
1443V25.1Very low25.9Very low117 Ų117134.1 Ų134.171%0.70971%0.705SS**  79.796.5125.7170.60000120.4
1444T23.3Very low25.3Very low108 Ų108134.9 Ų134.966%0.66370%0.703SS**  55.5140.2125.581.70000123.9
1445K22.9Very low25Very low177 Ų177133 Ų13377%0.7769%0.689SS**  65.6108.4129.2-76.7174.2179.2179.90120.9
1446T22Very low25.2Very low111 Ų111133.1 Ų133.168%0.68168%0.681SS**  64.3131.4124.763.30000122
1447N21.8Very low25.1Very low141 Ų141131 Ų13175%0.75467%0.674SS**  trans67.6128.1153.2-52.9-23.1000115.4
1448E23.6Very low25.4Very low151 Ų151127.2 Ų127.271%0.70666%0.662SS**  -144.3138.958.4-77.6-162.2121.700112.4
1449K24Very low25.5Very low158 Ų158125.6 Ų125.669%0.68766%0.662SS**  69.114483.4-58.8179.8-169.4149.20116.5
1450S24.8Very low25.6Very low111 Ų111127.8 Ų127.878%0.77666%0.663SS**  trans74.7147.2153.775.30000117.7
1451F25.3Very low25.3Very low178 Ų178131.9 Ų131.978%0.78167%0.669SS**  cis-154.6159.3-1.9-140.3-135.8000113.9
1452D28.5Very low25.1Very low87 Ų87131.4 Ų131.447%0.46567%0.67SS.*  trans49.9111.1147.5-86.222.6000126.1
1453R26.3Very low25Very low193 Ų193128.5 Ų128.573%0.72866%0.66SS**  66.5152.5103.6-73.6-171.2177.4134.4-16.7124.8
1454L27.1Very low24.9Very low124 Ų124129.3 Ų129.365%0.64966%0.66SS**  143.7134.9123-76-178.8000111
1455T26.6Very low24.8Very low67 Ų67131.5 Ų131.541%0.41166%0.661SS.*  cis-172.7165.8-16.54.80000109E1713 E1714T1455-E1713 WeakPolarHBondContact CA-OE2 3Å; T1455-E1713 CarbonylContact O-C 3.59Å; T1455-E1713 WeakPolarHBondContact O-CB 3.38Å; T1455-E1713 WeakPolarHBondContact O-CG 3.46Å; T1455-E1714 PolarHBondContact O-N 2.65Å
1456K29.8Very low24.7Very low105 Ų105128.1 Ų128.146%0.45765%0.651SS.*  cis-149.3-18.3-1.5176.5171.254.769.40118.3E1713 E1714K1456-E1713 VanDerWaalsContact C-CD 3.47Å; K1456-E1713 WeakPolarHBondContact CA-OE1 3.49Å; K1456-E1713 VanDerWaalsContact CA-OE2 3.26Å; K1456-E1713 WeakPolarHBondContact CA-OE2 3.39Å; K1456-E1713 VanDerWaalsContact N-CB 3.34Å; K1456-E1713 PolarHBondContact N-OE2 2.69Å; K1456-E1713 VanDerWaalsContact N-OE2 3.09Å; K1456-E1714 HydrophobicContact CB-CG 3.84Å; K1456-E1714 WeakPolarHBondContact CB-OE1 3.47Å; K1456-E1714 WeakPolarHBondContact CE-OE1 3.35Å; K1456-E1714 WeakPolarHBondContact CE-OE2 3.36Å; K1456-E1714 VanDerWaalsContact CG-OE1 3.27Å; K1456-E1714 WeakPolarHBondContact CG-OE1 3.41Å; K1456-E1714 IonicContact NZ-OE1 2.73Å; K1456-E1714 PolarHBondContact NZ-OE1 3.28Å; K1456-E1714 IonicContact NZ-OE2 3.11Å; K1456-E1714 PolarHBondContact NZ-OE2 3.36Å
1457L24Very low24.7Very low125 Ų125128.4 Ų128.465%0.65464%0.644SS**  trans177.9-140.7-178.2-101.9167.2000110.5E1713 E1714L1457-E1713 PolarHBondContact N-OE1 3.38Å; L1457-E1713 VanDerWaalsContact N-OE1 3.13Å; L1457-E1713 WeakPolarHBondContact O-CA 3.41Å; L1457-E1713 WeakPolarHBondContact O-CB 3.36Å; L1457-E1714 VanDerWaalsContact C-CG 3.42Å; L1457-E1714 HydrophobicContact CB-CG 4.04Å; L1457-E1714 WeakPolarHBondContact CB-OE1 3.48Å; L1457-E1714 PolarHBondContact N-OE1 3.25Å; L1457-E1714 WeakPolarHBondContact O-CG 3.28Å; L1457-E1714 PolarHBondContact O-N 3.09Å
1458T26.6Very low24.9Very low74 Ų74130 Ų13045%0.45464%0.64SS.*  cis-164.2171.514.739.50000113.7E1714T1458-E1714 HydrophobicContact CG2-CB 4.48Å; T1458-E1714 VanDerWaalsContact CG2-CD 3.46Å; T1458-E1714 HydrophobicContact CG2-CG 3.75Å; T1458-E1714 WeakPolarHBondContact CG2-OE1 3.37Å
1459S27.8Very low25Very low93 Ų93128.2 Ų128.265%0.6564%0.641SS**  trans69.1104.8139.960.30000124.7
1460Q28Very low25Very low183 Ų183124.3 Ų124.386%0.85563%0.634SS**  7492.5127.2-72.7174-35.400122.3
1461Q22.4Very low25.1Very low159 Ų159124.6 Ų124.674%0.74363%0.626SS**  16.3142.4110.5-85.1-172.6-14.900120.7
1462Q22.3Very low25.2Very low168 Ų168121.9 Ų121.979%0.78562%0.62SS**  trans67.9147.9146.2-69.5177.53.100118.1
1463S22.4Very low25.2Very low68 Ų68124.1 Ų124.148%0.47663%0.631SS.*  cis-157156-21.8560000109.4F1465S1463-F1465 WeakPolarHBondContact O-CB 3.32Å; S1463-F1465 WeakPolarHBondContact O-CD2 3.39Å; S1463-F1465 PolarHBondContact O-N 3.12Å
1464N23.2Very low25.2Very low135 Ų135119.9 Ų119.972%0.72262%0.622SS**  trans49.8-119178.5-43.7-50.9000113.4L1466N1464-L1466 HydrophobicContact CB-CD1 3.98Å
1465F21Very low25.4Very low153 Ų153121.6 Ų121.667%0.67163%0.626SS**  cis-152.4138.2-5.3-128.2-77.4000106.7S1463S1463-F1465 WeakPolarHBondContact O-CB 3.32Å; S1463-F1465 WeakPolarHBondContact O-CD2 3.39Å; S1463-F1465 PolarHBondContact O-N 3.12Å
1466L21.6Very low25.7Very low107 Ų107122.6 Ų122.656%0.5664%0.636SS**  cis-164.2-165.8-31.3-155.463000106.1N1464N1464-L1466 HydrophobicContact CB-CD1 3.98Å
1467H22.3Very low25.8Very low116 Ų116122 Ų12254%0.53765%0.645SS.*  trans68.9153.6150.8-75.7-167.2000119.3
1468W25.1Very low25.8Very low176 Ų176120.7 Ų120.767%0.66765%0.647SS**  cis-160.5167-26.6-114.8-1000108.6S1470W1468-S1470 VanDerWaalsContact CB-N 3.35Å; W1468-S1470 VanDerWaalsContact CD2-N 3.31Å; W1468-S1470 VanDerWaalsContact CG-N 3.26Å
1469P25.7Very low25.8Very low113 Ų113124.1 Ų124.173%0.73466%0.662SS**SBend-101.4129.788.828.2-34.8000110.8
1470S24.1Very low25.6Very low76 Ų76126.1 Ų126.153%0.53167%0.665SS.*  78.1135.267.2-72.20000110.8W1468W1468-S1470 VanDerWaalsContact CB-N 3.35Å; W1468-S1470 VanDerWaalsContact CD2-N 3.31Å; W1468-S1470 VanDerWaalsContact CG-N 3.26Å
1471N26.4Very low25.4Very low116 Ų116123.2 Ų123.262%0.6266%0.656SS**  cis-155.9170.510.9-126.617.2000111.5
1472N27.9Very low25.6Very low121 Ų121120.7 Ų120.765%0.64765%0.648SS**  trans74.1140.9157.2-60.80.3000116.9
1473L27.9Very low25.9Very low135 Ų135121 Ų12171%0.70765%0.649SS**  cis-169.3159.9-17.7-100.2-150.3000104.5
1474I27.8Very low26Very low104 Ų104123.2 Ų123.253%0.53366%0.655SS.*  cis-172.3162.2-14.3-165.2177.2000105.9
1475H31.3Very low25.8Very low159 Ų159119.7 Ų119.774%0.73664%0.641SS**  trans66.2152.8160.1-70-35.6000117.5
1476S31.6Very low25.8Very low88 Ų88119.7 Ų119.762%0.61564%0.643SS**  cis-161.2175.9-15.947.80000110.7
1477S31.9Very low25.8Very low93 Ų93123.5 Ų123.565%0.6565%0.651SS**  trans54.9101.8143.9550000117.9
1478S24.7Very low25.7Very low98 Ų98121.5 Ų121.569%0.68565%0.65SS**  76.1137.155.980.50000115.5
1479N26.1Very low25.6Very low145 Ų145121.9 Ų121.978%0.77566%0.656SS**  trans88.398162.2-53.4-17.2000118.1
1480N23.8Very low25.4Very low135 Ų135123.5 Ų123.572%0.72266%0.658SS**  trans64.3136.3148.6-64.6-8.9000121.7
1481N24.6Very low25.3Very low122 Ų122124.1 Ų124.165%0.65266%0.662SS**  trans76.7119.8163.6-53.5-18.8000117.8
1482N26.1Very low25.3Very low107 Ų107127.3 Ų127.357%0.57267%0.671SS**SBendtrans53.2123.1158.8-54.5-29.6000117.7N1484N1482-N1484 PolarHBondContact N-OD1 3.11Å; N1482-N1484 PolarHBondContact OD1-ND2 2.84Å; N1482-N1484 PolarHBondContact OD1-OD1 3.11Å
1483H27.6Very low25Very low174 Ų174126.5 Ų126.581%0.80668%0.675SS**SBendcis-129.6132.918.3-67.1-83.4000113.1
1484N24.6Very low25.1Very low114 Ų114125.4 Ų125.461%0.6168%0.676SS**SBend-114.1141.8-56.1-144.3-16.4000109.4N1482N1482-N1484 PolarHBondContact N-OD1 3.11Å; N1482-N1484 PolarHBondContact OD1-ND2 2.84Å; N1482-N1484 PolarHBondContact OD1-OD1 3.11Å
1485S20.4Very low24.9Very low61 Ų61122.9 Ų122.943%0.42767%0.667SS.*  trans-76.5-162.3-169.754.40000112.3
1486H20.7Very low24.4Very low154 Ų154118.5 Ų118.571%0.71366%0.655SS**  trans-5.5134.2134.1-58.6-78000113.9
1487Y21.6Very low24Very low187 Ų187120.2 Ų120.273%0.73366%0.656SS**  -141157.561.9-92.3-85.5000117.9
1488S20.8Very low23.5Very low73 Ų73122.1 Ų122.151%0.5165%0.654SS.*  trans-49161.2157.665.90000113.9
1489K21.8Very low23.5Very low185 Ų185125.7 Ų125.780%0.80465%0.654SS**  trans70.7145.1158.9-60.3161.7-176.9173.10113.6
1490L21.2Very low23.2Very low146 Ų146122 Ų12276%0.76464%0.64SS**  cis-157151.514.4-157.275.2000112.1
1491S22Very low23.2Very low89 Ų89120.8 Ų120.862%0.62263%0.633SS**  trans75.1157.3148.881.50000121.2
1492K26.8Very low23.1Very low183 Ų183120 Ų12080%0.79663%0.629SS**  trans66.395.6161.2-62171.7-174.6178.30116.6
1493S21.7Very low23Very low105 Ų105120.1 Ų120.173%0.73463%0.629SS**  cis50.4145.146.998.10000114.6
1494P30.2Very low23Very low112 Ų112119.4 Ų119.473%0.72763%0.632SS**  cis-132-149.3-19.230.4-4.4000109.6
1495S23.1Very low23Very low51 Ų51122.7 Ų122.736%0.35764%0.635SS.*  cis-163.7-178.814.169.40000114.7R1682 S1683S1495-R1682 WeakPolarHBondContact O-CD 3.27Å; S1495-S1683 WeakPolarHBondContact O-CB 3.44Å; S1495-S1683 PolarHBondContact O-OG 2.69Å
1496S20.7Very low23.1Very low67 Ų67126.2 Ų126.247%0.46965%0.649SS.*  trans-135.412915748.30000109.9Y1691S1496-Y1691 VanDerWaalsContact CA-CE1 3.41Å; S1496-Y1691 VanDerWaalsContact CA-CZ 3.43Å
1497L24.8Very low23.2Very low123 Ų123124.7 Ų124.764%0.64465%0.645SS**  trans-159.7123.1176.2-130.9177.8000114.4K1690 Y1691L1497-K1690 WeakPolarHBondContact O-CD 3.41Å; L1497-K1690 WeakPolarHBondContact O-CE 3.47Å; L1497-K1690 PolarHBondContact O-NZ 3.32Å; L1497-Y1691 PolarHBondContact N-OH 2.86Å; L1497-Y1691 VanDerWaalsContact O-CE2 3.24Å; L1497-Y1691 WeakPolarHBondContact O-CE2 3.42Å
1498H21.4Very low23.2Very low134 Ų134123.9 Ų123.962%0.6265%0.648SS**  trans-39.5180-179.4-93.3-111.8000118.5K1690H1498-K1690 VanDerWaalsContact C-CD 3.45Å; H1498-K1690 WeakPolarHBondContact O-CD 3.46Å; H1498-K1690 PolarHBondContact O-NZ 3.45Å
1499Y23.9Very low23.3Very low173 Ų173124.4 Ų124.468%0.67865%0.652SS**  trans79.9141.1160.2-77.2-66000116.5K1690Y1499-K1690 WeakPolarHBondContact O-CD 3.42Å; Y1499-K1690 WeakPolarHBondContact O-CE 3.29Å; Y1499-K1690 PolarHBondContact O-NZ 3.07Å
1500S20.5Very low23.4Very low67 Ų67125.5 Ų125.547%0.46965%0.653SS.*  cis64.6114.717.3175.40000114.1
1501N23.4Very low23.5Very low109 Ų109124.9 Ų124.958%0.58365%0.649SS**  cis-151.516019.3-117.439.7000110.6
1502D22.7Very low23.5Very low107 Ų107126.7 Ų126.757%0.57265%0.652SS**  trans48.7136.1133.6-62.9-6000124.4
1503N22.6Very low23.5Very low108 Ų108125.8 Ų125.858%0.57865%0.65SS**  trans56.7101.8131.9-59.6-36.1000119.4
1504N28.2Very low23.6Very low160 Ų160125.9 Ų125.986%0.85665%0.647SS**  -125.4126.388.5-81.4-53.1000108.3
1505R24.7Very low23.2Very low182 Ų182128.8 Ų128.869%0.68765%0.654SS**  58.810750.3-88.8-166.8159.5-162.6-3.4114.1
1506L23.3Very low23.4Very low135 Ų135129.7 Ų129.771%0.70767%0.672SS**  trans64.5174.1138.3-46177.8000115
1507L21.7Very low23.6Very low122 Ų122132.3 Ų132.364%0.63969%0.69SS**  cis-149.1171.5-16.3-149.562.7000108
1508E21.2Very low23.8Very low170 Ų170131.3 Ų131.379%0.79469%0.694SS**  trans62.9152.2154.9-74.9166.4-165.600118.7
1509S23.1Very low24Very low85 Ų85132 Ų13259%0.59470%0.701SS**  cis-161.5158-23.751.70000109
1510Y25Very low24Very low208 Ų208130.8 Ų130.882%0.81671%0.706SS**  172.6130.2124.1-110.7-104.2000112.3
1511L23.3Very low24.2Very low133 Ų133131.7 Ų131.770%0.69671%0.712SS**  trans57.4120158.8-68.9167.9000122.2
1512N21.7Very low24.2Very low126 Ų126132.3 Ų132.367%0.67472%0.72SS**  trans72.5143.7143.6-61.1-15.7000118.6
1513Q26.4Very low24.4Very low164 Ų164135 Ų13577%0.76673%0.729SS**  cis-150120.13.9-129164.913.800113
1514T23.4Very low24.9Very low108 Ų108137.5 Ų137.566%0.66374%0.741SS**  63.3107.3119.4-54.40000122.1
1515I23.4Very low25.5Very low172 Ų172136.9 Ų136.988%0.88274%0.738SS**  trans70.2123139-59.7172.8000119.9
1516G27.2Very low26.3Very low71 Ų71133.7 Ų133.773%0.73274%0.738SS**  trans178.8111.5162.200000113.4
1517S24.8Very low26.7Very low121 Ų121134.2 Ų134.285%0.84674%0.742SS**  trans-42.8152.4172.550.20000115.9
1518S28Very low26.9Very low103 Ų103138.4 Ų138.472%0.7275%0.749SS**  cis-157.4148.322.5-174.60000114.8
1519L25.6Very low27Very low147 Ų147135.5 Ų135.577%0.7774%0.738SS**  trans-9.9148.3148.3-39.4176000118.3
1520L24.2Very low27Very low149 Ų149139.2 Ų139.278%0.7875%0.746SS**  cis-157.3165.9-2.5-143.880.6000112.7
1521S24.1Very low26.8Very low86 Ų86132 Ų13260%0.60173%0.726SS**  trans-62.8-176.117868.50000117.6
1522T24.4Very low26.7Very low121 Ų121134.5 Ų134.574%0.74273%0.726SS**  cis-165.2177.1-0.22.90000113
1523E26.7Very low26.7Very low163 Ų163137.1 Ų137.176%0.76273%0.727SS**  trans-49176.8167.6-48.3169.7123.500119.4
1524I32.8Very low26.7Very low161 Ų161134.3 Ų134.383%0.82673%0.725SS**  trans72134.5161.4-63.5156.9000115.7
1525N41.1Very low27Very low148 Ų148138 Ų13879%0.79173%0.732SS**  trans-113.8146.4-171.2-120.2-9000114.1
1526T40.4Very low26.8Very low114 Ų114135 Ų13570%0.69972%0.718SS**  trans70.2105163.8480000120.1
1527D31.8Very low26.6Very low147 Ų147138.3 Ų138.379%0.78671%0.712SS**  trans86.5113.3133.4-58.7-4.5000121.8
1528R26.2Very low26.6Very low210 Ų210138.9 Ų138.979%0.79271%0.705SS**  trans-130.1134.6154.3-158.5175.1-171.3173.92.1107.8E1540R1528-E1540 IonicContact CZ-OE1 2.74Å; R1528-E1540 IonicContact NE-OE1 2.67Å; R1528-E1540 PolarHBondContact NE-OE1 3.17Å; R1528-E1540 IonicContact NH2-OE1 3.16Å; R1528-E1540 PolarHBondContact NH2-OE1 2.89Å; R1528-E1540 IonicContact NH2-OE2 3.85Å
1529I23.5Very low26.8Very low108 Ų108138 Ų13855%0.55470%0.696SS**  trans-108.8140.8-153.4-71.2172.8000112.9
1530Q22.5Very low26.7Very low163 Ų163135.9 Ų135.976%0.76268%0.683SS**  trans65136.2172.4-69.4164.346.800114.6
1531S20.9Very low26.7Very low58 Ų58135.5 Ų135.541%0.40668%0.681SS.*  -152.7154.952.962.50000116.9K1537 I1538S1531-K1537 PolarHBondContact OG-O 3.35Å; S1531-I1538 VanDerWaalsContact CB-O 3.31Å; S1531-I1538 WeakPolarHBondContact CB-O 3.34Å; S1531-I1538 PolarHBondContact OG-N 3.34Å
1532R21.7Very low26.7Very low185 Ų185139.3 Ų139.370%0.69870%0.695SS**  trans14.5137.1137.6-67.6179.1171.3-174.8-1.9119.3
1533R22.3Very low26.6Very low180 Ų180140.7 Ų140.768%0.67970%0.696SS**  trans68.8129.8148.9-65.9169.3-177.5-176.8-1.9114.5F1535R1533-F1535 VanDerWaalsContact C-N 3.3Å; R1533-F1535 PolarHBondContact O-N 3.34Å
1534S26.2Very low26.4Very low105 Ų105142.3 Ų142.373%0.73470%0.704SS**SBend39.757.966.181.90000112.4
1535F29.3Very low25.7Very low186 Ų186142.2 Ų142.282%0.81670%0.7SS**SBendtrans75.4102.2-173.4-49.7-89000114.7R1533R1533-F1535 VanDerWaalsContact C-N 3.3Å; R1533-F1535 PolarHBondContact O-N 3.34Å
1536D19.5Very low24.7Very low109 Ų109143.2 Ų143.258%0.58370%0.7SS**  trans54.6134.9158.5-44-26.9000124.4
1537K24Very low23.7Very low140 Ų140143.8 Ų143.861%0.60970%0.703SS**  trans80.3147.5153.6-54.4126.7-169.81500118.9S1531S1531-K1537 PolarHBondContact OG-O 3.35Å
1538I24.3Very low23.7Very low134 Ų134142 Ų14269%0.68770%0.699SS**  cis-158.1165.98.1-127.8163000111.2S1531S1531-I1538 VanDerWaalsContact CB-O 3.31Å; S1531-I1538 WeakPolarHBondContact CB-O 3.34Å; S1531-I1538 PolarHBondContact OG-N 3.34Å
1539P32.7Very low23.4Very low84 Ų84139.2 Ų139.255%0.54570%0.699SS.*  trans-114.3177.1-158.644.3-37.8000120.2
1540E23.4Very low23.2Very low103 Ų103141.9 Ų141.948%0.48171%0.709SS.*  trans70.8141.4145.5-82.2174.2164.700127.2R1528R1528-E1540 IonicContact CZ-OE1 2.74Å; R1528-E1540 IonicContact NE-OE1 2.67Å; R1528-E1540 PolarHBondContact NE-OE1 3.17Å; R1528-E1540 IonicContact NH2-OE1 3.16Å; R1528-E1540 PolarHBondContact NH2-OE1 2.89Å; R1528-E1540 IonicContact NH2-OE2 3.85Å
1541D23.1Very low23.2Very low141 Ų141139 Ų13975%0.75471%0.707SS**  trans43.9130.9152.6-69.20.1000126.9
1542N23.6Very low23.3Very low165 Ų165144.6 Ų144.688%0.88273%0.727SS**  -167.1168.1123.7-117-72000116.5
1543I21.8Very low23.2Very low151 Ų151143.7 Ų143.777%0.77473%0.728SS**  trans-121.8139.6-177.2-63.8167.1000111
1544Q22.5Very low23.1Very low197 Ų197142.2 Ų142.292%0.92173%0.729SS**  trans-159.1177.6147.7-119.1170.626.900114.5
1545Q19.7Very low22.8Very low159 Ų159140.9 Ų140.974%0.74372%0.719SS**  trans-120.6165-160.9-60175.8-23.500113.5
1546Q19.2Very low22.4Very low169 Ų169138.3 Ų138.379%0.7971%0.714SS**  trans79151.1138.2-96-177.613.300122.5
1547V20.4Very low22.4Very low126 Ų126138.6 Ų138.676%0.76472%0.716SS**  trans81.3133.2153.11650000118.6
1548P30.2Very low22.3Very low109 Ų109137.6 Ų137.671%0.70872%0.721SS**  trans-103.6177.1-178.542.2-37000112.8
1549L21.3Very low22.3Very low151 Ų151136 Ų13679%0.79172%0.718SS**  trans-167.7173.6131.8-109161.9000112.7
1550E18.4Very low21.8Very low165 Ų165139.6 Ų139.677%0.77173%0.728SS**  trans-56.1151.8176.2-57.5158.6126.900111.4
1551S22.1Very low21.8Very low103 Ų103140.1 Ų140.172%0.7273%0.733SS**  176.5165.284.344.60000112.6
1552Q23Very low22Very low174 Ų174140.1 Ų140.181%0.81373%0.728SS**  trans41.6104.9153.9-65.517517.900117.7
1553K20.8Very low22.2Very low166 Ų166139 Ų13972%0.72272%0.717SS**  59.712482.6-85.7-172.7147.2-142.10113.8
1554Q19.7Very low22.1Very low150 Ų150137.9 Ų137.970%0.70171%0.713SS**  trans68.3147.3136.6-67.2-174.5-93.100117.1
1555S20.4Very low22Very low76 Ų76132.7 Ų132.753%0.53170%0.699SS.*  cis-178.1158.1-14.849.40000107.4
1556N20.6Very low22.2Very low132 Ų132130.4 Ų130.471%0.70670%0.696SS**  trans66.3163.7150.3-71.733.1000114.8
1557D20.3Very low22.4Very low116 Ų116127.3 Ų127.362%0.6269%0.693SS**  cis-147.3164.2-10.7-128.3-30.7000110.5
1558T21.7Very low22.5Very low118 Ų118127.8 Ų127.872%0.72469%0.691SS**  trans61.7166.9156.255.30000116.2
1559T24.5Very low22.5Very low102 Ų102129.8 Ų129.863%0.62669%0.694SS**  cis-126.9155.23.2-6.90000107.8
1560E21.4Very low22.8Very low159 Ų159130.2 Ų130.274%0.74369%0.692SS**  38.3140.699.5-62.4-174.316600114.7
1561L23.2Very low23.2Very low113 Ų113127.9 Ų127.959%0.59269%0.689SS**  cis-172.3170.58.7-121.3168.8000106.2
1562H27.7Very low23.2Very low142 Ų142128.3 Ų128.366%0.65769%0.691SS**  trans62159.1161.1-61.1-57.4000115.6
1563H27.1Very low23.2Very low140 Ų140127.5 Ų127.565%0.64869%0.692SS**  cis-142.4168.6-31.6-120.3-25.9000107.6
1564N20.5Very low23.3Very low129 Ų129127.8 Ų127.869%0.6969%0.693SS**  15.7136.9104.1-63.9-20000116.3
1565S20.6Very low23.3Very low88 Ų88129.3 Ų129.362%0.61570%0.701SS**  cis-179-169.1-6.947.80000107
1566T22.3Very low23.3Very low111 Ų111130.7 Ų130.768%0.68171%0.71SS**  trans37.2106.8142.556.10000119.2
1567S24.3Very low23.4Very low104 Ų104129.9 Ų129.973%0.72771%0.71SS**  -149.6110.6103.860.90000109
1568N23.3Very low23.5Very low135 Ų135130.8 Ų130.872%0.72272%0.719SS**  61.1104.2100.8-55.5-28000110.9
1569I29.6Very low23.6Very low151 Ų151131.1 Ų131.177%0.77472%0.716SS**  -173.5138.389.7-87.9153.7000105.8
1570Q26.9Very low23.5Very low160 Ų160130.5 Ų130.575%0.74871%0.708SS**  cis-159.9153.84.1-124.5171.8-1700110.3
1571T26.7Very low23.5Very low117 Ų117130.1 Ų130.172%0.71870%0.704SS**  trans42.6126.3151.450.40000121
1572C22.1Very low23.4Very low111 Ų111129.5 Ų129.575%0.7571%0.709SS**  49.1131.988.9-62.40000114.5
1573N24.3Very low23.3Very low157 Ų157128.3 Ų128.384%0.8472%0.717SS**  cis-158.8-178.244.4-133.5-27000114.2
1574K21.6Very low23.2Very low172 Ų172126.4 Ų126.475%0.74872%0.719SS**  trans-72.5154.7169.7-70.1176.9178.8172.60112.3
1575Q20.8Very low23.4Very low183 Ų183127.5 Ų127.586%0.85572%0.724SS**  trans71.8136.9164.2-70.3179.4-47.900119.7
1576S20.3Very low23.6Very low104 Ų104127.9 Ų127.973%0.72773%0.727SS**  trans74.7126.9152-59.10000121.2
1577T21.7Very low23.8Very low116 Ų116129.4 Ų129.471%0.71273%0.729SS**  trans49.8103.6147.553.80000118.4
1578V23.6Very low23.9Very low134 Ų134131 Ų13181%0.81273%0.73SS**  62.1115.279.21750000113.6
1579I22.8Very low24.2Very low125 Ų125131.1 Ų131.164%0.64173%0.73SS**  trans-166128.5143.5-108.9155.8000112.1L656L656-I1579 HydrophobicContact CD2-CD1 3.74Å; L656-I1579 HydrophobicContact CD2-CG1 4.37Å
1580L22.9Very low24Very low90 Ų90131 Ų13147%0.47173%0.732SS.*  trans56.1121.5151.6-55-179.6000119.9
1581K21.4Very low24Very low150 Ų150131 Ų13165%0.65274%0.736SS**  63.4138.683.7-65.2-175.2-156.6162.70113.1E655E655-K1581 IonicContact OE1-NZ 3.06Å; E655-K1581 PolarHBondContact OE1-NZ 2.86Å
1582S21.5Very low23.8Very low101 Ų101132.3 Ų132.371%0.70674%0.739SS**  cis-168.5-178.65.536.20000111.2
1583S24.3Very low23.9Very low116 Ų116132 Ų13281%0.81173%0.734SS**  trans83.5141.3177.3-47.90000114.7
1584S26Very low23.8Very low100 Ų100130 Ų13070%0.69973%0.727SS**  cis-165.6158.6-8.141.80000112.1
1585L25.5Very low23.9Very low153 Ų153129 Ų12980%0.80172%0.723SS**  trans69.591.2159.5-69.1156.5000119.8
1586S24.4Very low24Very low95 Ų95129.8 Ų129.866%0.66472%0.72SS**  56.6141.5108.776.90000120.6
1587I26.4Very low24.3Very low143 Ų143134.9 Ų134.973%0.73372%0.724SS**  cis-149.5137.628.3-74.2-180000111.5
1588N25.8Very low25Very low138 Ų138134.6 Ų134.674%0.73873%0.725SS**  trans42.9152.2152.2-61.44000122.5
1589N28.9Very low25.1Very low137 Ų137134.6 Ų134.673%0.73373%0.725SS**  cis-147.3151.46.3-124.5-0.6000111.4
1590N26.9Very low25.1Very low150 Ų150132.8 Ų132.880%0.80273%0.728SS**  trans-100.4151175.8-72.9-36.4000111.5
1591N26.3Very low25.2Very low159 Ų159136.1 Ų136.185%0.8575%0.746SS**  cis89.615034.5-80.1-18.8000116.4
1592N22.2Very low25.3Very low145 Ų145134 Ų13478%0.77575%0.75SS**  trans-151.7160.1-141.9-163.15.9000114.7
1593T24.4Very low25.4Very low103 Ų103136.9 Ų136.963%0.63276%0.757SS**  trans80.5153.7156.373.60000125.1
1594T23.2Very low25.4Very low116 Ų116137.8 Ų137.871%0.71275%0.753SS**  trans84.4145.7156.368.60000121.3
1595K22.3Very low25.4Very low152 Ų152139.8 Ų139.866%0.66176%0.755SS**  cis-161.6159.5-12.7-106.6171.5179.7-175.40112.2
1596Y23.5Very low25.2Very low199 Ų199136 Ų13678%0.7875%0.745SS**  trans-13.6134.8169.2-62-92.8000121.1
1597Y27.5Very low25.2Very low211 Ų211137.1 Ų137.183%0.82775%0.748SS**  78.6155.269.9-81.9-56.9000115.9
1598P34.6Very low25Very low110 Ų110140.3 Ų140.371%0.71475%0.751SS**  cis-142.4162.422.944.5-25.3000120.8
1599V25.7Very low24.8Very low134 Ų134140.5 Ų140.581%0.81275%0.752SS**  trans40135.5131.3-178.60000120.9
1600A23.9Very low24.6Very low86 Ų86139.7 Ų139.771%0.71175%0.752SS**  cis-165161.9-7.800000112
1601D24.3Very low24.5Very low160 Ų160138.1 Ų138.186%0.85675%0.747SS**  -165.2165.6122.9-133.9-28.8000113.2
1602S23.1Very low24.4Very low106 Ų106137 Ų13774%0.74174%0.741SS**  trans-82.8166.7179.50.60000113.2
1603L25.1Very low24.4Very low162 Ų162137.9 Ų137.985%0.84874%0.738SS**  cis-171138.1-9.2158.469.5000106.8
1604D23.7Very low24.5Very low134 Ų134141.7 Ų141.772%0.71775%0.746SS**  trans-161.5168.2145.9-155.516000114.2
1605L25.8Very low24.6Very low143 Ų143139.9 Ų139.975%0.74974%0.737SS**  trans-18.3126.9168.3-95.555.5000115.5
1606A21.1Very low25Very low72 Ų72137.7 Ų137.760%0.59574%0.739SS**  cis58.999.543.200000115.1
1607T23.8Very low25.3Very low119 Ų119138.7 Ų138.773%0.7375%0.747SS**  trans81.6156.815371.90000118.2
1608R23Very low25.9Very low210 Ų210133 Ų13379%0.79274%0.738SS**  cis-141.6147.618.4-109.6110.2-159.6-103.11.5114.8
1609L21.1Very low25.5Very low143 Ų143136.7 Ų136.775%0.74974%0.743SS**  trans47.296.7134.3-58.2176.4000122.6
1610T24.3Very low25.6Very low120 Ų120136.3 Ų136.374%0.73674%0.741SS**  37.8113.1115.958.90000122.4
1611V26.5Very low26Very low117 Ų117137.4 Ų137.471%0.70975%0.75SS**  trans-143.9101.1145.5177.60000107.3
1612L22.8Very low26Very low136 Ų136136.3 Ų136.371%0.71275%0.754SS**  59.1130.592.3-67.5171.5000114.4
1613K22.9Very low26Very low163 Ų163140.1 Ų140.171%0.70976%0.76SS**  cis-134.4-146.721.5-60.287.8-159.5149.80108.6
1614K25.8Very low25.9Very low183 Ų183136.7 Ų136.780%0.79675%0.749SS**  cis-165.2135.8-0.5-149.9-158.8164.7-169.40112.4
1615S25.4Very low26Very low77 Ų77138.4 Ų138.454%0.53876%0.757SS.*  trans50.1156.4138.467.50000124.9
1616P31.5Very low26.1Very low106 Ų106136 Ų13669%0.68876%0.758SS**SBendcis-145117.6-35.836.9-17000115.3
1617K29.9Very low26.3Very low221 Ų221141.5 Ų141.596%0.96177%0.769SS**SBendtrans-16257.6137.8-111.3175-175.7-178.60106.8
1618S40.3Very low26.2Very low90 Ų90143 Ų14363%0.62977%0.767SS**  trans-134.375.7-15251.40000106.6
1619F25.7Very low26.5Very low188 Ų188137.6 Ų137.683%0.82576%0.758SS**  trans-155.8157.1-159.4-131-108.1000108.8
1620T27.2Very low26.6Very low127 Ų127139.2 Ų139.278%0.77976%0.763SS**SBendtrans66.2126.3-179.763.30000116.8C1622T1620-C1622 PolarHBondContact O-N 3.44Å
1621A31.9Very low26.6Very low108 Ų108140.3 Ų140.389%0.89376%0.763SS**  trans65.525.6158.300000121
1622C24.5Very low26.5Very low138 Ų138139.4 Ų139.493%0.93277%0.768SS**  trans-107.4100.4162.6-87.90000112.3T1620T1620-C1622 PolarHBondContact O-N 3.44Å
1623Q23.6Very low26.7Very low186 Ų186137.5 Ų137.587%0.86977%0.772SS**  trans-150.9127.1172.2-176178.7-13.100107.6
1624S24.1Very low26.7Very low90 Ų90135.6 Ų135.663%0.62977%0.769SS**  cis-155.3139.2-4.7430000111.8
1625L24.5Very low27.2Very low169 Ų169133.8 Ų133.889%0.88577%0.768SS**SBendtrans-82.2140.7165.4-171.669.3000110.5
1626A29.2Very low27.3Very low92 Ų92135.7 Ų135.776%0.7678%0.78SS**  trans4597.2165.100000117.8
1627K23.8Very low27.1Very low188 Ų188136.1 Ų136.182%0.81779%0.786SS**  trans-150.9134.5166.5-109.4161.6-173.7174.90113.3
1628H22.3Very low27Very low152 Ų152129.7 Ų129.770%0.70478%0.782SS**  trans-64.1146.6164.4-92.721.4000111.1
1629T29.5Very low26.3Very low96 Ų96130.1 Ų130.159%0.58979%0.791SS**SBendcis-175.3113-34.610.60000103.8
1630M23.1Very low26.2Very low176 Ų176131.3 Ų131.387%0.86780%0.796SS**SBendtrans61.7146.8-139.1-48.2179.4-79.100111.4
1631I24.2Very low26.5Very low143 Ų143129.7 Ų129.773%0.73380%0.795SS**SBendcis-109.3105.3-2-64.8174.3000107.6L1634I1631-L1634 HydrophobicContact CG2-CB 4.43Å; I1631-L1634 HydrophobicContact CG2-CD1 3.84Å
1632A24Very low26.1Very low98 Ų98132.9 Ų132.981%0.8179%0.791SS**  trans-15056.7-175.400000111.8
1633A26.5Very low26.4Very low96 Ų96132.7 Ų132.779%0.79378%0.78SS**SBendtrans-135.618.916700000110.5
1634L23.7Very low26.5Very low123 Ų123133.3 Ų133.364%0.64478%0.78SS**  trans-158.8148.6-153.4-71.1173.5000110.6I1631I1631-L1634 HydrophobicContact CG2-CB 4.43Å; I1631-L1634 HydrophobicContact CG2-CD1 3.84Å
1635N35.5Very low26.4Very low145 Ų145133.6 Ų133.678%0.77578%0.778SS**  cis-160.5114.4-31-146.3-11.3000109.1
1636C27.6Very low26.7Very low117 Ų117132 Ų13279%0.79178%0.776SS**  trans-172172.7169.7-140.20000109.5
1637S27.5Very low27Very low116 Ų116132.9 Ų132.981%0.81177%0.774SS**  trans51.596.3174.554.50000115.4
1638G27.3Very low27.5Very low86 Ų86131.3 Ų131.389%0.88777%0.773SS**  cis96.716.511.900000114.7
1639A27.3Very low28Very low99 Ų99130 Ų13082%0.81878%0.776SS**  trans-144.134.1170.400000113.2
1640F22.5Very low28.1Very low213 Ų213131.9 Ų131.993%0.93479%0.787SS**  trans-81166153.3-99.1-95.4000109.4
1641A33.8Very low28.6Very low92 Ų92129.9 Ų129.976%0.7679%0.785SS**  trans69.573.4173.500000117.3
1642H24.4Very low28.6Very low175 Ų175131.2 Ų131.281%0.8179%0.788SS**  trans-142.794.5144.5-127.2-90.9000113.5
1643L30.7Very low28.8Very low134 Ų134135.1 Ų135.170%0.70278%0.783SS**  trans43.7101.8145.3-75.5156.3000120
1644K24.1Very low28.5Very low199 Ų199137.9 Ų137.987%0.86578%0.78SS**  -141.679.7125.7-116.5-179.5-175.9-178.90113
1645T23.1Very low28.5Very low96 Ų96137.7 Ų137.759%0.58978%0.784SS**  trans51.3120.3130.456.90000121.2
1646T29.9Very low27.8Very low136 Ų136138.4 Ų138.483%0.83478%0.782SS**  trans72.6156.6155.774.80000118.1
1647P35.3Very low27.5Very low110 Ų110140.5 Ų140.571%0.71478%0.78SS**  -135.7164.4-65.538-23.2000114.1
1648I35.8Very low27.2Very low155 Ų155142.8 Ų142.880%0.79578%0.783SS**  trans164.9110.9136.6-84.7155.3000110.8
1649T32.2Very low26.9Very low126 Ų126143.4 Ų143.477%0.77377%0.773SS**  trans38.686.7157.860.80000121.7
1650T32.6Very low26.7Very low135 Ų135144.5 Ų144.583%0.82877%0.766SS**  -165.7133.4127.24.80000114.4
1651T33.5Very low26.9Very low133 Ų133140.5 Ų140.582%0.81675%0.754SS**  trans19.798.815353.40000120.7
1652Q23.9Very low26.8Very low171 Ų171141.8 Ų141.880%0.79975%0.748SS**  trans-119.7174.4144.3-77.6-166.4-50.600109.2
1653Y27.9Very low27.1Very low181 Ų181140.2 Ų140.271%0.7175%0.746SS**  trans70.5113.7176.8-70.9-96.2000113.8
1654Q19.6Very low27Very low154 Ų154139.4 Ų139.472%0.7275%0.747SS**  80.7152.765.3-78.6-168.8-10.800112.8
1655T24.1Very low27Very low118 Ų118136 Ų13672%0.72474%0.742SS**  trans54.494.3-173.738.60000112.6
1656Q20.7Very low27.2Very low161 Ų161139.5 Ų139.575%0.75275%0.752SS**  56.3144.172.6-57.6172.6-65.400113.1
1657Q21.1Very low26.9Very low160 Ų160139.7 Ų139.775%0.74875%0.747SS**  trans43.6112.5152.2-68.9172.4-40.800117.2S1659Q1657-S1659 PolarHBondContact O-N 2.82Å
1658L22Very low26.4Very low164 Ų164141.5 Ų141.586%0.85974%0.744SS**  trans-57.297.3142.4-90.9159.5000108.4
1659S20.5Very low25.9Very low99 Ų99142.8 Ų142.869%0.69274%0.74SS**  -63.9124.2125.459.40000107Q1657Q1657-S1659 PolarHBondContact O-N 2.82Å
1660N22.5Very low25.6Very low123 Ų123143.7 Ų143.766%0.65874%0.739SS**  trans-37146.3151-42.9-43000109.8
1661D28.2Very low25.3Very low128 Ų128144 Ų14468%0.68474%0.736SS**  cis-149.5144.943.5-87.8-61.1000114.5
1662N31.1Very low24.9Very low119 Ų119145.2 Ų145.264%0.63674%0.737SS**  trans46.4118.5134.7-47.2-33.9000118.6
1663N29.7Very low24.8Very low142 Ų142140.7 Ų140.776%0.75972%0.719SS**  cis-157.7154.446.6-83.7-71.1000115.8
1664T30Very low24.7Very low118 Ų118135.2 Ų135.272%0.72470%0.701SS**  trans61.473.614853.80000121.8
1665T24.1Very low25Very low126 Ų126136.6 Ų136.677%0.77371%0.708SS**  40.4145.3115.3590000124.9
1666Q26.7Very low24.9Very low170 Ų170138.2 Ų138.279%0.79470%0.702SS**  trans86.5114.1164-53.4-152.2-1.300116.2
1667L24.2Very low25.1Very low141 Ų141139.9 Ų139.974%0.73871%0.706SS**  83.7133.455.6-70.2168.2000113
1668K24.4Very low25.2Very low147 Ų147139.3 Ų139.364%0.63971%0.708SS**  cis-168152.6-18.9-143.7-175.9-167.9-173.70110.1
1669Y25.4Very low25.3Very low182 Ų182136.6 Ų136.671%0.71469%0.694SS**  trans66.2130177-58.3-69.1000115.4
1670L24.9Very low25.6Very low145 Ų145138.3 Ų138.376%0.75969%0.694SS**  cis67.6129.338.9-70.6124000115.8
1671D26.6Very low25.6Very low143 Ų143137.1 Ų137.177%0.76569%0.686SS**  cis-157163.3-36.9-129.7-45.8000109.5
1672N24.7Very low25.4Very low157 Ų157136.1 Ų136.184%0.8467%0.673SS**  trans-94.5150.8-169.4-81.4-65000116.1
1673D22.8Very low25Very low77 Ų77133 Ų13341%0.41266%0.66SS.*  trans-50.7145.9165.8-91.1-76.1000115.7S1836 N1837D1673-S1836 WeakPolarHBondContact CB-O 3.49Å; D1673-S1836 PolarHBondContact OD1-OG 3.46Å; D1673-N1837 HydrophobicContact CB-CB 4.37Å; D1673-N1837 PolarHBondContact OD2-ND2 2.99Å
1674I25.1Very low24.9Very low66 Ų66128.4 Ų128.434%0.33864%0.639SS.*  trans72.1129.1155.2-54.2150.4000120.4V1835 S1836 N1837I1674-V1835 HydrophobicContact CD1-CB 4.34Å; I1674-V1835 HydrophobicContact CD1-CG1 3.89Å; I1674-V1835 HydrophobicContact CG2-CG2 4.13Å; I1674-S1836 WeakPolarHBondContact CD1-O 3.46Å; I1674-S1836 WeakPolarHBondContact CG1-O 3.41Å; I1674-N1837 WeakPolarHBondContact CD1-O 3.4Å
1675E26.6Very low24.8Very low183 Ų183128 Ų12886%0.85564%0.638SS**  trans-114138.7139.8-65.4-172.7104.900111.2
1676Y22.6Very low24.8Very low151 Ų151125.2 Ų125.259%0.59263%0.625SS**  trans-160.971.1158.9-135.9-90.8000113.4S1833 G1834 V1835Y1676-S1833 WeakPolarHBondContact CE2-O 3.39Å; Y1676-S1833 VanDerWaalsContact CZ-O 3.32Å; Y1676-S1833 PolarHBondContact OH-O 3.44Å; Y1676-G1834 VanDerWaalsContact CD2-CA 3.44Å; Y1676-V1835 HydrophobicContact CG-CG2 4.44Å
1677K23.9Very low24.5Very low196 Ų196120.8 Ų120.885%0.85261%0.612SS**  trans-175.3145147.6-109.5169.8-175.8-175.20113.5
1678N23.9Very low24.6Very low148 Ų148120.4 Ų120.479%0.79162%0.618SS**  trans-61.8158.1168.6-60.9-38.3000112.4
1679I23.2Very low24.5Very low107 Ų107120.3 Ų120.355%0.54962%0.618SS.*  -172.2140.4120.2-89.9145.9000110.3I1695I1679-I1695 HydrophobicContact CD1-CG2 3.64Å; I1679-I1695 HydrophobicContact CG1-CB 4.31Å; I1679-I1695 HydrophobicContact CG1-CG2 3.42Å; I1679-I1695 VanDerWaalsContact CG1-CG2 3.42Å
1680I27.6Very low24.4Very low136 Ų136115 Ų11570%0.69760%0.598SS**  trans-103.9152178.1-63.6163.8000109.4
1681I22.6Very low24.3Very low97 Ų97111.6 Ų111.650%0.49758%0.576SS.*  trans170.9138.5154.5-95.1155.3000107.3E1694I1681-E1694 HydrophobicContact CD1-CB 3.95Å; I1681-E1694 HydrophobicContact CD1-CG 4.29Å; I1681-E1694 WeakPolarHBondContact CD1-O 3.4Å; I1681-E1694 WeakPolarHBondContact CD1-OE2 3.43Å; I1681-E1694 HydrophobicContact CG1-CB 4.33Å; I1681-E1694 HydrophobicContact CG1-CG 4.17Å; I1681-E1694 WeakPolarHBondContact CG1-OE1 3.35Å; I1681-E1694 WeakPolarHBondContact CG1-OE2 3.29Å
1682R22.2Very low24.1Very low108 Ų108107.8 Ų107.841%0.40856%0.56SS.*  cis-156.2175-3.7-108.8171.3-144.6174.112106.8S1495 E1694S1495-R1682 WeakPolarHBondContact O-CD 3.27Å; R1682-E1694 IonicContact NE-OE2 2.68Å; R1682-E1694 IonicContact NH2-OE2 3.59Å
1683S23Very low24.3Very low52 Ų52105.9 Ų105.936%0.36456%0.555SS.*  cis-158163.44.330.60000109.1S1495S1495-S1683 WeakPolarHBondContact O-CB 3.44Å; S1495-S1683 PolarHBondContact O-OG 2.69Å
1684S28.1Very low24.6Very low46 Ų46105.5 Ų105.532%0.32255%0.551SS.*  trans-128.9154.6-173.9-44.50000114.3K1690S1684-K1690 WeakPolarHBondContact O-CE 3.29Å
1685P27.3Very low24.6Very low109 Ų109108.3 Ų108.371%0.70857%0.565SS**  trans-116.1154.1139.536.6-27.5000110.9
1686S23.9Very low24.5Very low69 Ų69103.8 Ų103.848%0.48355%0.553SS.*SBendcis-147.5141.4-4.744.20000109
1687S21.5Very low24.8Very low76 Ų76101.6 Ų101.653%0.53156%0.559SS.*SBendtrans52.8123177.346.40000117.6
1688P25.2Very low25.5Very low134 Ų13499.4 Ų99.487%0.8756%0.557SS**SBendcis-98.987.1-3.536.4-28.3000111
1689K23.8Very low26.1Very low145 Ų14598.1 Ų98.163%0.6355%0.549SS*.  trans-142.2171.3175.1-66.6-172.4177.2-1800108.6
1690K23.8Very low26.4Very low69 Ų69101.3 Ų101.330%0.356%0.559SS.*  trans92.8109176-52.9173.6165.8-169.30112.9L1497 H1498 Y1499 S1684L1497-K1690 WeakPolarHBondContact O-CD 3.41Å; L1497-K1690 WeakPolarHBondContact O-CE 3.47Å; L1497-K1690 PolarHBondContact O-NZ 3.32Å; H1498-K1690 VanDerWaalsContact C-CD 3.45Å; H1498-K1690 WeakPolarHBondContact O-CD 3.46Å; H1498-K1690 PolarHBondContact O-NZ 3.45Å; Y1499-K1690 WeakPolarHBondContact O-CD 3.42Å; Y1499-K1690 WeakPolarHBondContact O-CE 3.29Å; Y1499-K1690 PolarHBondContact O-NZ 3.07Å; S1684-K1690 WeakPolarHBondContact O-CE 3.29Å
1691Y22.8Very low26.2Very low75 Ų7599.8 Ų99.829%0.29455%0.552SS.*  cis-151.5146.111.4-107.4-63.5000119.6S1496 L1497S1496-Y1691 VanDerWaalsContact CA-CE1 3.41Å; S1496-Y1691 VanDerWaalsContact CA-CZ 3.43Å; L1497-Y1691 PolarHBondContact N-OH 2.86Å; L1497-Y1691 VanDerWaalsContact O-CE2 3.24Å; L1497-Y1691 WeakPolarHBondContact O-CE2 3.42Å
1692S22.3Very low26.8Very low62 Ų6299.3 Ų99.343%0.43456%0.562SS.*  trans71151.7139.859.40000122.8
1693T28.2Very low26.9Very low118 Ų118104.2 Ų104.272%0.72459%0.587SS**  trans81.555161.637.70000117
1694E28Very low27.2Very low69 Ų69105.2 Ų105.232%0.32259%0.586SS.*  -50.7144122.1-20.782.5145.400111.7I1681 R1682I1681-E1694 HydrophobicContact CD1-CB 3.95Å; I1681-E1694 HydrophobicContact CD1-CG 4.29Å; I1681-E1694 WeakPolarHBondContact CD1-O 3.4Å; I1681-E1694 WeakPolarHBondContact CD1-OE2 3.43Å; I1681-E1694 HydrophobicContact CG1-CB 4.33Å; I1681-E1694 HydrophobicContact CG1-CG 4.17Å; I1681-E1694 WeakPolarHBondContact CG1-OE1 3.35Å; I1681-E1694 WeakPolarHBondContact CG1-OE2 3.29Å; R1682-E1694 IonicContact NE-OE2 2.68Å; R1682-E1694 IonicContact NH2-OE2 3.59Å
1695I25.6Very low27Very low125 Ų125105.6 Ų105.664%0.64159%0.588SS**  cis-163.7170.6-28.6-119.3171.1000107.4I1679I1679-I1695 HydrophobicContact CD1-CG2 3.64Å; I1679-I1695 HydrophobicContact CG1-CB 4.31Å; I1679-I1695 HydrophobicContact CG1-CG2 3.42Å; I1679-I1695 VanDerWaalsContact CG1-CG2 3.42Å
1696C25.2Very low27.6Very low88 Ų88107.6 Ų107.660%0.59560%0.598SS**  trans75.8139.8177.5-860000117
1697S27.8Very low27.9Very low104 Ų104111.7 Ų111.773%0.72761%0.614SS**  trans59.4115.8-143.278.60000111.4
1698D39.1Very low28.2Very low151 Ų151113.7 Ų113.781%0.80762%0.617SS**  cis61.9-1721.5-150.2-18.8000113.3
1699I35.9Very low28.4Very low121 Ų121118.2 Ų118.262%0.62162%0.617SS**  trans21.6103.8164-42.7-176000115.8
1700K31.1Very low28.6Very low174 Ų174114.6 Ų114.676%0.75762%0.621SS**SBendcis-160.5152.513.5-121.1165.4-168.5166.90110.7
1701N23.4Very low28.9Very low104 Ų104115.8 Ų115.856%0.55664%0.644SS**  trans68.4126.6175.7-45-18.3000111.3Q1704N1701-Q1704 HydrophobicContact CB-CG 4.39Å; N1701-Q1704 PolarHBondContact ND2-OE1 3.46Å
1702A34.2Very low28.9Very low87 Ų87116 Ų11672%0.71966%0.656SS**SBend52.8132.461.700000112.7Q1704A1702-Q1704 PolarHBondContact O-N 3.18Å
1703K25.1Very low29Very low211 Ų211118.5 Ų118.592%0.91766%0.661SS**SBendtrans-71.576.5148.9-157.9171.2-172.4-179.30107.8C1705K1703-C1705 PolarHBondContact O-N 3.06Å
1704Q28.5Very low28.8Very low73 Ų73114.8 Ų114.834%0.34164%0.635SS.*  -29.4114120.3-89.9-162-42.500106.3N1701 A1702N1701-Q1704 HydrophobicContact CB-CG 4.39Å; N1701-Q1704 PolarHBondContact ND2-OE1 3.46Å; A1702-Q1704 PolarHBondContact O-N 3.18Å
1705C24.8Very low28.6Very low54 Ų54120.6 Ų120.637%0.36565%0.654SS.*  cis174.5174.845.6-109.10000109.4K1703 N1707 I1708K1703-C1705 PolarHBondContact O-N 3.06Å; C1705-N1707 PolarHBondContact SG-O 2.68Å; C1705-I1708 VanDerWaalsContact CB-O 3.3Å; C1705-I1708 WeakPolarHBondContact CB-O 3.41Å; C1705-I1708 PolarHBondContact SG-N 3.46Å; C1705-I1708 VanDerWaalsContact SG-N 3.44Å
1706V39.9Very low28.5Very low151 Ų151120.1 Ų120.192%0.91565%0.65SS**SBendcis53.748.45-1640000114.4
1707N28.9Very low28.6Very low154 Ų154123.3 Ų123.382%0.82466%0.661SS**SBendtrans39.5104-170.3-79.3-27.1000120.7C1705C1705-N1707 PolarHBondContact SG-O 2.68Å
1708I29Very low28.8Very low118 Ų118124.8 Ų124.861%0.60567%0.666SS**  trans149.9141.1158.8-79.1155.4000111.5C1705C1705-I1708 VanDerWaalsContact CB-O 3.3Å; C1705-I1708 WeakPolarHBondContact CB-O 3.41Å; C1705-I1708 PolarHBondContact SG-N 3.46Å; C1705-I1708 VanDerWaalsContact SG-N 3.44Å
1709R28.5Very low28.3Very low229 Ų229125.3 Ų125.386%0.86467%0.668SS**  trans-53.1167.1-175.8-56.7157.2-177.5178.4-2.8115.3
1710G29Very low27.7Very low69 Ų69127.5 Ų127.571%0.71168%0.678SS**  cis124145.2000000114
1711A29.5Very low27.6Very low95 Ų95126.4 Ų126.479%0.78568%0.68SS**  trans64.9158.1177.700000115.8
1712S23.1Very low27.8Very low79 Ų79126 Ų12655%0.55269%0.686SS**  cis78.438.221.7-51.30000117.2
1713E24.2Very low27.2Very low115 Ų115131.1 Ų131.154%0.53769%0.692SS.*  trans61.9-159133.422.6170.344.300121.3T1455 K1456 L1457T1455-E1713 WeakPolarHBondContact CA-OE2 3Å; T1455-E1713 CarbonylContact O-C 3.59Å; T1455-E1713 WeakPolarHBondContact O-CB 3.38Å; T1455-E1713 WeakPolarHBondContact O-CG 3.46Å; K1456-E1713 VanDerWaalsContact C-CD 3.47Å; K1456-E1713 WeakPolarHBondContact CA-OE1 3.49Å; K1456-E1713 VanDerWaalsContact CA-OE2 3.26Å; K1456-E1713 WeakPolarHBondContact CA-OE2 3.39Å; K1456-E1713 VanDerWaalsContact N-CB 3.34Å; K1456-E1713 PolarHBondContact N-OE2 2.69Å; K1456-E1713 VanDerWaalsContact N-OE2 3.09Å; L1457-E1713 PolarHBondContact N-OE1 3.38Å; L1457-E1713 VanDerWaalsContact N-OE1 3.13Å; L1457-E1713 WeakPolarHBondContact O-CA 3.41Å; L1457-E1713 WeakPolarHBondContact O-CB 3.36Å
1714E23.3Very low27.2Very low39 Ų39130 Ų13018%0.18269%0.687CS.*  trans-64168.4-153.5-19.3170.1173.800121.6T1455 K1456 L1457 T1458T1455-E1714 PolarHBondContact O-N 2.65Å; K1456-E1714 HydrophobicContact CB-CG 3.84Å; K1456-E1714 WeakPolarHBondContact CB-OE1 3.47Å; K1456-E1714 WeakPolarHBondContact CE-OE1 3.35Å; K1456-E1714 WeakPolarHBondContact CE-OE2 3.36Å; K1456-E1714 VanDerWaalsContact CG-OE1 3.27Å; K1456-E1714 WeakPolarHBondContact CG-OE1 3.41Å; K1456-E1714 IonicContact NZ-OE1 2.73Å; K1456-E1714 PolarHBondContact NZ-OE1 3.28Å; K1456-E1714 IonicContact NZ-OE2 3.11Å; K1456-E1714 PolarHBondContact NZ-OE2 3.36Å; L1457-E1714 VanDerWaalsContact C-CG 3.42Å; L1457-E1714 HydrophobicContact CB-CG 4.04Å; L1457-E1714 WeakPolarHBondContact CB-OE1 3.48Å; L1457-E1714 PolarHBondContact N-OE1 3.25Å; L1457-E1714 WeakPolarHBondContact O-CG 3.28Å; L1457-E1714 PolarHBondContact O-N 3.09Å; T1458-E1714 HydrophobicContact CG2-CB 4.48Å; T1458-E1714 VanDerWaalsContact CG2-CD 3.46Å; T1458-E1714 HydrophobicContact CG2-CG 3.75Å; T1458-E1714 WeakPolarHBondContact CG2-OE1 3.37Å
1715R24.7Very low26.9Very low191 Ų191131.7 Ų131.772%0.72170%0.703SS**  -157.5165.588.9-136176.5167.3152.2-5.1113.3
1716E22.6Very low26.8Very low116 Ų116134.5 Ų134.554%0.54272%0.718SS.*  trans-28.6156.2165.7-60.8159.2104.400117.8
1717N28.8Very low26Very low154 Ų154135.6 Ų135.682%0.82471%0.71SS**  trans81.1138153.4-59.4-24.2000121
1718T30.8Very low25.7Very low136 Ų136134.5 Ų134.583%0.83471%0.705SS**  trans-88.7139.5164.250.10000110.6
1719D29.1Very low25.5Very low161 Ų161133.7 Ų133.786%0.86171%0.705SS**  trans-152.2168138.5-137.3-32.8000111.4
1720M24.6Very low25.3Very low168 Ų168127.7 Ų127.783%0.82870%0.698SS**  trans-72.4137.6-170.6-57.8-144-58.300113.8
1721D26.9Very low25.2Very low150 Ų150129 Ų12980%0.80269%0.692SS**  -161.8158.2105-138.8-26.1000114.9
1722S28.1Very low25.2Very low96 Ų96133 Ų13367%0.67169%0.692SS**  trans65.792.4161.868.50000119.9K1724S1722-K1724 PolarHBondContact O-N 2.88Å
1723F21.7Very low25.4Very low195 Ų195134.4 Ų134.486%0.85570%0.702SS**  -8.8117.9118.7-80.4-102000116.4
1724K25.8Very low25.7Very low186 Ų186133.6 Ų133.681%0.80972%0.715SS**  173.4133.8112.7-91.2164.3-177.6170.50109.5S1722S1722-K1724 PolarHBondContact O-N 2.88Å
1725T22.8Very low25.8Very low109 Ų109135.1 Ų135.167%0.66974%0.741SS**  66.3112.658.8-48.80000112.3
1726V22.6Very low26Very low114 Ų114131.8 Ų131.869%0.69174%0.741SS**  trans72.7130.7159.8173.40000110.7
1727K22.3Very low26.4Very low173 Ų173133.3 Ų133.375%0.75275%0.753SS**  50.2146.683.8-124.7-173.3-178.9177.60111.1
1728N23.2Very low26.1Very low131 Ų131133.7 Ų133.770%0.70175%0.749SS**  trans64.5153.8153.2-64.13.9000116.5
1729V24.7Very low26Very low102 Ų102132 Ų13262%0.61875%0.749SS**  cis-140.6122.9-13.41180000102.5T1731V1729-T1731 HydrophobicContact CG1-CG2 4.29Å
1730S24.1Very low25.7Very low103 Ų103129.1 Ų129.172%0.7274%0.742SS**  61.1160.176.8-169.70000112.9
1731T27.5Very low25.7Very low95 Ų95126.7 Ų126.758%0.58374%0.737SS**  trans94.9136.9164.974.10000115.3V1729V1729-T1731 HydrophobicContact CG1-CG2 4.29Å
1732K29.6Very low25.7Very low180 Ų180126.6 Ų126.678%0.78374%0.736SS**  cis-158.5178.9-4.8-116.2162.5-165.9169.90105.7
1733S26.7Very low25.6Very low109 Ų109126.4 Ų126.476%0.76274%0.741SS**SBendcis-167.4169.42.629.40000106.7
1734A30.6Very low25.8Very low97 Ų97125.4 Ų125.480%0.80274%0.736SS**SBendcis-135157.54.700000109.2
1735G25.5Very low25.8Very low71 Ų71122.9 Ų122.973%0.73273%0.727SS**  cis173.1-171.5-0.700000108
1736V29.1Very low25.8Very low121 Ų121120.5 Ų120.573%0.73372%0.715SS**  cis-159.6142.211.1167.10000107.9
1737L29.4Very low25.9Very low149 Ų149119.9 Ų119.978%0.7871%0.706SS**  trans60.6173.8167.9-67.4164.2000118.7
1738E24.1Very low26Very low161 Ų161116.2 Ų116.275%0.75269%0.692SS**  -167.6149.6-78-107.1176.7-16900112.3
1739A28.8Very low26.1Very low100 Ų100113.5 Ų113.583%0.82668%0.683SS**  trans61162.7158.900000120
1740S22.4Very low26.1Very low102 Ų102115.2 Ų115.271%0.71369%0.685SS**  cis-169.4167.3-34.5-171.30000110.8
1741T24.4Very low26Very low117 Ų117119.5 Ų119.572%0.71869%0.686SS**  trans82.8143.2164.974.60000120.6
1742N27.1Very low25.8Very low147 Ų147121.7 Ų121.779%0.78669%0.688SS**  trans45.3101.7155.9-56.3-16.5000118
1743A24.6Very low26.3Very low93 Ų93122.2 Ų122.277%0.76969%0.693SS**  cis74.2128.348.300000115.2
1744K26.2Very low26.5Very low173 Ų173121.8 Ų121.875%0.75270%0.696SS**SBendtrans67.1133.6177.5-165-165.7-176.1-177.20113.6
1745Q26Very low26.8Very low133 Ų133120.6 Ų120.662%0.62169%0.693SS**  trans69.5152.9166.6-108.7-172.1-64.700110.6
1746S23.6Very low26.7Very low59 Ų59122.9 Ų122.941%0.41369%0.688SS.*  66.3120.991.6-152.10000111.5L193L193-S1746 VanDerWaalsContact CD1-N 3.26Å
1747I24.5Very low26.4Very low101 Ų101122.5 Ų122.552%0.51869%0.685SS.*  cis-166.9124.55.9-114.4-169.3000107E194E194-I1747 HydrophobicContact CB-CB 3.52Å; E194-I1747 HydrophobicContact CB-CD1 3.74Å; E194-I1747 HydrophobicContact CB-CG1 3.22Å; E194-I1747 HydrophobicContact CB-CG2 3.54Å; E194-I1747 HydrophobicContact CG-CB 4.31Å; E194-I1747 HydrophobicContact CG-CG1 4.38Å; E194-I1747 HydrophobicContact CG-CG2 3.78Å
1748Q24.7Very low26.7Very low97 Ų97122.3 Ų122.345%0.45369%0.685SS.*  trans151.5112.9144.8179.460.5-11500116.6L193 E194L193-Q1748 PolarHBondContact O-N 2.99Å; E194-Q1748 VanDerWaalsContact CG-CA 3.4Å; E194-Q1748 HydrophobicContact CG-CB 3.89Å; E194-Q1748 HydrophobicContact CG-CG 4.42Å; E194-Q1748 VanDerWaalsContact CG-NE2 3.3Å; E194-Q1748 PolarHBondContact OE1-NE2 3.29Å
1749S24.3Very low27.2Very low74 Ų74120.1 Ų120.152%0.51768%0.678SS.*  trans-163.3125.9143.238.60000110.4
1750Q24.5Very low27.6Very low137 Ų137121.1 Ų121.164%0.6467%0.669SS**  54.4123.674.9-61.5178.913.200113.5
1751Y22.7Very low27.9Very low194 Ų194124.2 Ų124.276%0.76167%0.672SS**  cis51.150.7-7-113.3-60.3000118.1Y183Y183-Y1751 HydrophobicContact CE1-CE2 4.43Å; Y183-Y1751 WeakPolarHBondContact OH-CE2 3.41Å; Y183-Y1751 PolarHBondContact OH-OH 3.27Å; Y183-Y1751 VanDerWaalsContact OH-OH 3.06Å
1752K23.9Very low28.3Very low140 Ų140124.7 Ų124.761%0.60968%0.675SS**  trans-160.856150.9-117.1168.9-173.4179.10114.6
1753Q38.7Very low28.5Very low192 Ų192123.4 Ų123.490%0.89767%0.673SS**  trans-62.3146.3146-79.6179.1-25.900108.9
1754A31.6Very low28.4Very low100 Ų100126.3 Ų126.383%0.82668%0.675SS**SBendtrans-67.9157-178.900000111.4
1755G37.1Very low28.4Very low72 Ų72125.9 Ų125.974%0.74268%0.676SS**  cis-108.5109.210.600000116.3
1756I22.4Very low28.2Very low119 Ų119125.5 Ų125.561%0.6169%0.685SS**  -131.3122.7127.2-10.6179.6000104.9
1757V23.5Very low28.2Very low112 Ų112133 Ų13368%0.67970%0.704SS**SBendcis-129.8118.927.6-178.20000113.5L1759V1757-L1759 HydrophobicContact CG1-CD2 4.33Å; V1757-L1759 HydrophobicContact CG1-CG 4.05Å
1758N34.7Very low28Very low145 Ų145136.4 Ų136.478%0.77572%0.718SS**SBend-158.1129.3118.6-107.3-3.6000106.6
1759L34.8Very low28Very low115 Ų115136 Ų13660%0.60272%0.723SS**  cis-164.3152.2-16.8-131176.6000104.7V1757V1757-L1759 HydrophobicContact CG1-CD2 4.33Å; V1757-L1759 HydrophobicContact CG1-CG 4.05Å
1760N38.8Very low28Very low121 Ų121140.4 Ų140.465%0.64774%0.738SS**  trans67.1141.7173.4-58-27.4000114.4
1761Q28.2Very low28Very low167 Ų167137.7 Ų137.778%0.7872%0.723SS**  60.810552.3-55.8176.63.900113.1
1762T31.4Very low28.1Very low127 Ų127138.8 Ų138.878%0.77973%0.731SS**  178.1156.9109.928.20000111
1763T31.5Very low28.3Very low121 Ų121138.3 Ų138.374%0.74273%0.734SS**  trans44.8115.1155.250.30000118.3
1764N23.7Very low27.7Very low153 Ų153139.1 Ų139.182%0.81873%0.734SS**  cis38.77647.3-79.7-1.1000113.1
1765E25Very low27.4Very low165 Ų165137.6 Ų137.677%0.77173%0.729SS**  -167.4122.699.2-97.5-158.6165.800112.6R1767E1765-R1767 PolarHBondContact O-N 2.89Å
1766P23.5Very low26.8Very low125 Ų125142.4 Ų142.481%0.81273%0.729SS**  trans-75.998.8156.131.5-29.3000108.6Q1768P1766-Q1768 PolarHBondContact O-N 3.38Å
1767R21.8Very low26.8Very low215 Ų215143 Ų14381%0.81173%0.729SS**  trans-50.2135.4169.3-93.3-176172.3164.1-0.5110.9E1765E1765-R1767 PolarHBondContact O-N 2.89Å
1768Q21.8Very low26.8Very low174 Ų174144.2 Ų144.281%0.81373%0.731SS**SBendtrans-58.2148.7154.6-66.5-177.2-9.600110.2P1766P1766-Q1768 PolarHBondContact O-N 3.38Å
1769T23.5Very low26.5Very low88 Ų88143.7 Ų143.754%0.5473%0.728SS.*  trans65.295.2157.6-43.20000117.5R1771T1769-R1771 HydrophobicContact CG2-CG 4.21Å
1770I25.8Very low26.3Very low166 Ų166146.4 Ų146.485%0.85174%0.737SS**  trans-117.9128.3141.9-66.2-174.5000109.2
1771R23.7Very low25.8Very low81 Ų81145 Ų14531%0.30674%0.737SS.*  trans-88.1150.4179.9-56.8164.8-155.971.84.6109K1398 T1399 T1769 I1773K1398-R1771 PolarHBondContact O-NH2 3.19Å; T1399-R1771 VanDerWaalsContact C-NE 3.33Å; T1399-R1771 VanDerWaalsContact O-CZ 3.29Å; T1399-R1771 PolarHBondContact O-NE 3.13Å; T1399-R1771 VanDerWaalsContact O-NE 3.16Å; T1399-R1771 PolarHBondContact O-NH2 3.38Å; T1399-R1771 PolarHBondContact OG1-NE 3.4Å; T1769-R1771 HydrophobicContact CG2-CG 4.21Å; R1771-I1773 PolarHBondContact O-N 3.48Å
1772K25.5Very low25.7Very low216 Ų216143.6 Ų143.694%0.93974%0.735SS**  trans-77.9110.1156.4-82.9-174.5176.11770109.2
1773I27.1Very low25.2Very low131 Ų131145.6 Ų145.667%0.67274%0.735SS**  trans-121.7123.8153.7-65.6-179.5000105.7R1771R1771-I1773 PolarHBondContact O-N 3.48Å
1774K25.4Very low25.2Very low208 Ų208145.4 Ų145.490%0.90473%0.73SS**  trans-78.6154.8174.5-78.6-173.9171.9-173.80110.2
1775G26Very low25.2Very low69 Ų69146.5 Ų146.571%0.71173%0.727SS**  trans175.2101.1158.700000114.5
1776K25.1Very low25.9Very low173 Ų173144.1 Ų144.175%0.75273%0.726SS**  trans63.3152.3160.4-67-167.9168.2-79.30117.7
1777E22.6Very low25.8Very low130 Ų130143.4 Ų143.461%0.60772%0.724SS**  cis-159.2161.7-29.7-121155.5-155.800109.4
1778I23.2Very low26Very low139 Ų139140.1 Ų140.171%0.71372%0.722SS**  trans24.3119149.1-58154.5000118.1
1779D27.2Very low26Very low133 Ų133139.9 Ų139.971%0.71172%0.721SS**  -164.5130.9122.9-99.7-24.3000110.9
1780H31.6Very low26.1Very low172 Ų172141 Ų14180%0.79673%0.728SS**  trans53148.2166.2-54-57.3000120
1781S28Very low26Very low92 Ų92139.7 Ų139.764%0.64372%0.721SS**  cis-168.1146.9-20.249.50000109.3
1782D25.9Very low26.1Very low138 Ų138142.8 Ų142.874%0.73874%0.743SS**  trans25.6119.1140.9-51.8-11.4000118.5
1783E21.9Very low26Very low169 Ų169136.3 Ų136.379%0.7973%0.725SS**  69.1152.977.1-75.9-153.5168.200116.3
1784N30.7Very low25.9Very low117 Ų117137.9 Ų137.963%0.62673%0.734SS**  trans96.5132.4172.2-56.6-79000117.4
1785K24.4Very low25.8Very low176 Ų176132.3 Ų132.377%0.76572%0.722SS**  cis-163.1158.3-23-126.9175.2-168.5136.20109.9
1786P39.4Very low25.8Very low114 Ų114133.9 Ų133.974%0.7472%0.721SS**  trans-107.2-166.217740.5-31000113
1787S22.1Very low25.8Very low110 Ų110129.9 Ų129.977%0.76972%0.715SS**  trans99.2149.916778.70000118.4
1788L24.9Very low26.1Very low146 Ų146130.3 Ų130.376%0.76472%0.722SS**  trans56.1117.7178.2-81.756.3000116
1789E22.1Very low26.3Very low170 Ų170129.8 Ų129.879%0.79472%0.719SS**  cis95.714945.1-80.9-165.7163.800114.6
1790T24.6Very low26.4Very low112 Ų112130 Ų13069%0.68772%0.716SS**  trans81.987.9154.1-60.80000119
1791I24.3Very low26.2Very low138 Ų138131.4 Ų131.471%0.70871%0.714SS**  88137.8126.2-72.8-178.3000120.4
1792N26.2Very low26.2Very low146 Ų146133.5 Ų133.578%0.78172%0.717SS**  trans63.9131.9161.8-75.3-9.5000119.8
1793S24.3Very low26.1Very low79 Ų79131 Ų13155%0.55271%0.71SS**  cis163.1149.31.349.80000106.4
1794L23.5Very low26.2Very low164 Ų164129.6 Ų129.686%0.85971%0.708SS**  trans60.4142.4145-62.5164.5000118.8
1795S24.5Very low26.1Very low92 Ų92131.4 Ų131.464%0.64372%0.716SS**  cis-166.7169.5-8.251.50000111.7
1796S24.5Very low26.1Very low101 Ų101130.8 Ų130.871%0.70672%0.718SS**  trans-14.8150.9149.252.90000118.3
1797S26.3Very low25.4Very low90 Ų90131.5 Ų131.563%0.62972%0.715SS**  cis-176.7-168.9-3.753.10000109.7
1798N27.6Very low25.5Very low139 Ų139134.2 Ų134.274%0.74371%0.708SS**  trans84140.7165.2-53.4-19.8000115.1
1799I28.6Very low25.5Very low128 Ų128128.2 Ų128.266%0.65668%0.677SS**  cis-156144.3-1.2-128.4169.7000113.2
1800Q28.3Very low25.7Very low137 Ų137127.2 Ų127.264%0.6467%0.666SS**  trans67.3143.9158.4-67.7177.625.300118.7
1801R28.9Very low25.7Very low202 Ų202125.5 Ų125.576%0.76265%0.652SS**  cis-156.7155.8-1-103.6160.2179179.33.1106.2
1802I27.8Very low25.5Very low135 Ų135122.1 Ų122.169%0.69264%0.636SS**  cis-150.5112.33.9-125.7148.4000105
1803S23.6Very low25.3Very low86 Ų86117.6 Ų117.660%0.60162%0.616SS**  62.1131.9101740000115.4
1804D24.1Very low25.4Very low140 Ų140120.6 Ų120.675%0.74963%0.625SS**  cis-172.1176.50.5-122-47.6000111.8
1805I27.1Very low25.3Very low154 Ų154119 Ų11979%0.7962%0.616SS**  trans68137.7155.1-72.5156.8000118.3
1806M25.3Very low25.3Very low164 Ų164120.6 Ų120.681%0.80862%0.624SS**  cis-164.9179.9-29-142.9-173-165.900109.8
1807L24.6Very low25.4Very low128 Ų128123.5 Ų123.567%0.6763%0.626SS**  trans-68.1-171.7166.8-62.9164.6000112L2442L1807-L2442 HydrophobicContact CB-CD2 4.22Å; L1807-L2442 HydrophobicContact CD2-CD2 3.87Å
1808R24Very low25.3Very low168 Ų168127.1 Ų127.163%0.63463%0.633SS**  trans88.4134.4171.7-61.7-173.2177.1176.80.3115.3L2442R1808-L2442 HydrophobicContact CG-CB 4.2Å; R1808-L2442 PolarHBondContact NE-O 2.86Å
1809D25.3Very low25.1Very low20 Ų20127.1 Ų127.111%0.10763%0.632CS.*  cis177.3-1756.9-101.3-20.2000111.9N2438 R2439 S2441 L2442 S2443D1809-N2438 CarbonylContact O-C 3.56Å; D1809-N2438 WeakPolarHBondContact O-CA 3.32Å; D1809-N2438 WeakPolarHBondContact O-CB 3.1Å; D1809-R2439 VanDerWaalsContact C-N 3.29Å; D1809-R2439 WeakPolarHBondContact CB-O 3.14Å; D1809-R2439 PolarHBondContact O-N 2.94Å; D1809-S2441 PolarHBondContact OD1-N 3.09Å; D1809-L2442 VanDerWaalsContact OD1-C 3.26Å; D1809-L2442 WeakPolarHBondContact OD1-CA 3.35Å; D1809-L2442 VanDerWaalsContact OD1-CB 3.23Å; D1809-L2442 WeakPolarHBondContact OD1-CB 3.33Å; D1809-L2442 PolarHBondContact OD1-N 3.09Å; D1809-S2443 PolarHBondContact OD1-N 3.03Å; D1809-S2443 PolarHBondContact OD1-OG 3.31Å; D1809-S2443 PolarHBondContact OD2-OG 3.46Å
1810R26.7Very low24.9Very low148 Ų148123.2 Ų123.256%0.55862%0.623SS**SBendtrans-106.6112.5173.1-74.8-177.2-75.789.5-1.9119.4I2437 R2439 Q2440 S2441R1810-I2437 CarbonylContact C-O 3.5Å; R1810-I2437 VanDerWaalsContact C-O 3.32Å; R1810-R2439 VanDerWaalsContact CA-N 3.34Å; R1810-Q2440 PolarHBondContact NH1-O 3.11Å; R1810-Q2440 CarbonylContact O-C 3.51Å; R1810-Q2440 VanDerWaalsContact O-CA 3.31Å; R1810-Q2440 WeakPolarHBondContact O-CA 3.44Å; R1810-Q2440 PolarHBondContact O-N 3.34Å; R1810-Q2440 VanDerWaalsContact O-O 3.05Å; R1810-S2441 WeakPolarHBondContact CG-OG 3.32Å; R1810-S2441 PolarHBondContact N-OG 2.79Å; R1810-S2441 VanDerWaalsContact N-OG 3.08Å; R1810-S2441 VanDerWaalsContact NE-CB 3.25Å
1811N23.4Very low24.7Very low77 Ų77123.5 Ų123.541%0.41263%0.628SS.*  trans147.646-174.7-80.2-12.1000118.6S2436 I2437 N2438 R2439 Q2440N1811-S2436 VanDerWaalsContact C-CB 3.47Å; N1811-S2436 WeakPolarHBondContact O-CB 3.18Å; N1811-I2437 WeakPolarHBondContact CA-O 3.45Å; N1811-I2437 PolarHBondContact N-O 2.86Å; N1811-N2438 VanDerWaalsContact N-C 3.32Å; N1811-R2439 HydrophobicContact CB-CB 4.28Å; N1811-Q2440 PolarHBondContact ND2-OE1 2.73Å
1812D21.3Very low24.6Very low67 Ų67119.5 Ų119.536%0.35862%0.62SS.*  trans-163.5130.6173.8-176.415.8000114.9I2437 N2438 R2439D1812-I2437 CarbonylContact O-C 3.37Å; D1812-I2437 VanDerWaalsContact O-C 3.29Å; D1812-I2437 WeakPolarHBondContact O-CA 3.45Å; D1812-I2437 WeakPolarHBondContact O-CB 3.12Å; D1812-I2437 PolarHBondContact O-N 3.04Å; D1812-N2438 PolarHBondContact O-N 3.49Å; D1812-R2439 HydrophobicContact CB-CB 4.2Å; D1812-R2439 HydrophobicContact CB-CG 3.62Å; D1812-R2439 IonicContact OD2-CZ 3.8Å; D1812-R2439 IonicContact OD2-NE 2.8Å; D1812-R2439 PolarHBondContact OD2-NE 3.05Å; D1812-R2439 IonicContact OD2-NH2 2.79Å; D1812-R2439 PolarHBondContact OD2-NH2 3.25Å
1813S22.3Very low24.4Very low51 Ų51117.8 Ų117.836%0.35761%0.612SS.*  trans-99.8157.5-15963.60000118.8Q2435S1813-Q2435 WeakPolarHBondContact CB-O 3.22Å
1814L24.7Very low24.5Very low142 Ų142118.9 Ų118.974%0.74362%0.619SS**  trans-172.3142.6143.2-107160.2000118.1
1815I22.8Very low24.7Very low130 Ų130115.4 Ų115.467%0.66761%0.609SS**  trans-68.4135173.8-66.1146.8000112.5Q1817I1815-Q1817 HydrophobicContact CG2-CG 4.46Å; I1815-Q1817 PolarHBondContact O-N 2.77Å
1816P25.1Very low24.6Very low126 Ų126118.6 Ų118.682%0.81861%0.611SS**  trans-71.9109.6154.5-9.326.1000108.7H1818P1816-H1818 PolarHBondContact O-N 3.16Å
1817Q24.8Very low24.5Very low161 Ų161111.6 Ų111.675%0.75258%0.582SS**  trans-67.6118.5179.2-69.3170.9-26.100110.5I1815I1815-Q1817 HydrophobicContact CG2-CG 4.46Å; I1815-Q1817 PolarHBondContact O-N 2.77Å
1818H24.9Very low24.6Very low167 Ų167109.8 Ų109.877%0.77358%0.58SS**  trans-123.655.7157.2-136.5-63.1000110.2P1816 G1820P1816-H1818 PolarHBondContact O-N 3.16Å; H1818-G1820 PolarHBondContact ND1-O 3.46Å
1819L23.3Very low24.6Very low139 Ų139104.1 Ų104.173%0.72856%0.564SS**  trans-61.9144.4152.5-89.586.6000108.2I1822L1819-I1822 HydrophobicContact CD2-CD1 4.45Å
1820G24Very low24.7Very low45 Ų45104.6 Ų104.646%0.46457%0.567SS.*  trans86.993.4-16100000109.4H1818H1818-G1820 PolarHBondContact ND1-O 3.46Å
1821I25.3Very low24.6Very low144 Ų144102 Ų10274%0.73857%0.572SS**  cis-119.7131.315.8-68.2168.8000111.5D1823I1821-D1823 HydrophobicContact CG2-CB 3.82Å; I1821-D1823 WeakPolarHBondContact CG2-OD2 3.38Å
1822I25.8Very low24.6Very low117 Ų117109.2 Ų109.260%0.659%0.593SS**  trans-98.699.9161.9-61.1172.1000106.6L1819 A1825L1819-I1822 HydrophobicContact CD2-CD1 4.45Å; I1822-A1825 HydrophobicContact CG2-CB 4.38Å
1823D23.8Very low24.6Very low99 Ų99108.8 Ų108.853%0.52960%0.596SS.*  trans-130.135.3168-86.7-46.4000110.5I1821I1821-D1823 HydrophobicContact CG2-CB 3.82Å; I1821-D1823 WeakPolarHBondContact CG2-OD2 3.38Å
1824C25.2Very low24.7Very low110 Ų110107.9 Ų107.974%0.74359%0.594SS**SBendtrans-123.133.5172.7-64.40000111.8
1825A29.4Very low24.7Very low66 Ų66105.7 Ų105.755%0.54559%0.587SS.*SBendtrans-156.437.8177.200000112.9I1822I1822-A1825 HydrophobicContact CG2-CB 4.38Å
1826R24.2Very low24.7Very low221 Ų221101 Ų10183%0.83457%0.565SS**  trans-118.914.4178.7-95.3-180164.7170.2-7114.9
1827G24.4Very low24.7Very low18 Ų18100.1 Ų100.119%0.18655%0.554CS.*  trans-97.1-3.4169.500000114.5V1829 Y2353G1827-V1829 VanDerWaalsContact C-N 3.3Å; G1827-V1829 PolarHBondContact O-N 3.24Å; G1827-Y2353 PolarHBondContact O-OH 3.36Å
1828S26.7Very low24.8Very low90 Ų9099.1 Ų99.163%0.62956%0.558SS**  trans-74.976.9-175.7-57.60000112.6V1830S1828-V1830 PolarHBondContact O-N 3.06Å
1829V24.1Very low24.8Very low48 Ų4896.1 Ų96.129%0.29156%0.556SS.*  trans-83.280.8166.6-179.50000109.2G1827 W2231 C2247 L2358G1827-V1829 VanDerWaalsContact C-N 3.3Å; G1827-V1829 PolarHBondContact O-N 3.24Å; V1829-W2231 VanDerWaalsContact CG1-CD1 3.46Å; V1829-C2247 WeakPolarHBondContact O-CB 3.34Å; V1829-C2247 PolarHBondContact O-SG 2.96Å; V1829-C2247 VanDerWaalsContact O-SG 3.38Å; V1829-L2358 HydrophobicContact CB-CD1 4.49Å; V1829-L2358 HydrophobicContact CG1-CD1 4.35Å
1830V26.1Very low24.9Very low31 Ų3199 Ų9919%0.18856%0.563CS.*  trans-159.9156.6147.9124.20000110S1828 L2244 C2247 N2251S1828-V1830 PolarHBondContact O-N 3.06Å; V1830-L2244 HydrophobicContact CG2-CD2 4.05Å; V1830-C2247 HydrophobicContact CB-CB 3.78Å; V1830-C2247 HydrophobicContact CG2-CB 3.41Å; V1830-C2247 VanDerWaalsContact CG2-CB 3.41Å; V1830-N2251 VanDerWaalsContact CG1-ND2 3.35Å; V1830-N2251 WeakPolarHBondContact CG1-ND2 3.4Å
1831S24.2Very low25Very low93 Ų93102.3 Ų102.365%0.6558%0.576SS**  trans6465.9-176.677.80000116.9
1832W23.9Very low24.9Very low228 Ų228105 Ų10586%0.86458%0.582SS**  trans-120.768.2148.3-8878000109.7K2236W1832-K2236 PolarHBondContact O-NZ 3.3Å
1833S22.6Very low24.8Very low58 Ų58109.9 Ų109.941%0.40659%0.593SS.*  trans-86.5133.1150.341.20000106.6Y1676Y1676-S1833 WeakPolarHBondContact CE2-O 3.39Å; Y1676-S1833 VanDerWaalsContact CZ-O 3.32Å; Y1676-S1833 PolarHBondContact OH-O 3.44Å
1834G24.1Very low24.7Very low32 Ų32111.3 Ų111.333%0.3361%0.608SS.*SBendtrans123129.1179.500000115.5Y1676Y1676-G1834 VanDerWaalsContact CD2-CA 3.44Å
1835V24.9Very low24.6Very low97 Ų97109.8 Ų109.859%0.58860%0.599SS**  trans76.173.3161.2-157.30000118.3I1674 Y1676I1674-V1835 HydrophobicContact CD1-CB 4.34Å; I1674-V1835 HydrophobicContact CD1-CG1 3.89Å; I1674-V1835 HydrophobicContact CG2-CG2 4.13Å; Y1676-V1835 HydrophobicContact CG-CG2 4.44Å
1836S22.2Very low24.3Very low30 Ų30111.5 Ų111.521%0.2160%0.602CS.*  trans-101.2114.115742.10000112.9D1673 I1674D1673-S1836 WeakPolarHBondContact CB-O 3.49Å; D1673-S1836 PolarHBondContact OD1-OG 3.46Å; I1674-S1836 WeakPolarHBondContact CD1-O 3.46Å; I1674-S1836 WeakPolarHBondContact CG1-O 3.41Å
1837N25.1Very low24.3Very low108 Ų108110.2 Ų110.258%0.57860%0.603SS**  trans82.7124.6-176-50.3-40.7000114.3D1673 I1674D1673-N1837 HydrophobicContact CB-CB 4.37Å; D1673-N1837 PolarHBondContact OD2-ND2 2.99Å; I1674-N1837 WeakPolarHBondContact CD1-O 3.4Å
1838V27.3Very low24.2Very low141 Ų141113.5 Ų113.586%0.85562%0.623SS**  -120.9165.765.5175.90000111.8
1839S24.1Very low24.1Very low104 Ų104114.4 Ų114.473%0.72763%0.628SS**  trans-66.8146.2-167.735.50000117.3
1840K24.9Very low24.1Very low200 Ų200118.1 Ų118.187%0.8765%0.653SS**  trans-15.1145.2145.2-73.8169.2-176.7166.60114.8
1841P27.1Very low23.9Very low113 Ų113125.2 Ų125.273%0.73468%0.684SS**  -152.7171.472.942.3-23.6000120.1
1842K23.8Very low23.8Very low201 Ų201124.7 Ų124.787%0.87469%0.685SS**  trans82.6129.5160.7-74.5166.4-177.4171.50119.9
1843R22.7Very low23.7Very low219 Ų219121.9 Ų121.983%0.82668%0.682SS**  trans-60.1155.6173.9-95.3-178.1169.3173-0.9112.5
1844P22.3Very low23.8Very low129 Ų129126.6 Ų126.684%0.83870%0.701SS**  -95.2166.798.6-24.936.8000115
1845S22.5Very low23.6Very low79 Ų79133.7 Ų133.755%0.55273%0.726SS**  trans-118174178.250.40000111.4
1846V23.7Very low24.1Very low101 Ų101133.5 Ų133.561%0.61273%0.729SS**  trans73.4128.6174.3-162.30000113.2
1847F23.4Very low24.4Very low194 Ų194136.5 Ų136.585%0.85175%0.748SS**  cis-101.8142.70.3-67.5-98.4000109.8
1848S22Very low24.2Very low88 Ų88143.1 Ų143.162%0.61576%0.764SS**  cis67.280.733.5-52.50000114.3
1849C25.6Very low24.1Very low109 Ų109140.2 Ų140.274%0.73675%0.75SS**PPolyproline II helixtrans-58.1149.9141.3-64.70000109
1850P23Very low24.2Very low125 Ų125139 Ų13981%0.81274%0.742SS**PPolyproline II helixtrans-75.6118.9139.631.2-25000107.9
1851E21.6Very low24.3Very low180 Ų180133 Ų13384%0.84172%0.722SS**PPolyproline II helixtrans-65.4150.8162.9-65.7130121.500110.5
1852A23.3Very low24.5Very low82 Ų82131.3 Ų131.368%0.67871%0.709SS**  trans-169.1112.7130.300000110.1
1853E21Very low24.6Very low170 Ų170128.4 Ų128.479%0.79470%0.703SS**  51.9114.8128.1-61.7171.8154.300120
1854I24.4Very low24.9Very low156 Ų156124 Ų12480%0.870%0.703SS**  33.4100.8106.5-54.5164.8000114.8
1855E21.2Very low25.2Very low181 Ų181123.5 Ų123.585%0.84670%0.702SS**  -176.9166.3109.3-125.6170.4-152.900115.3
1856S34.4Very low25.4Very low93 Ų93128.4 Ų128.465%0.6572%0.721SS**  trans-85.9140.5175.3-68.50000112.4
1857P28.2Very low25.7Very low94 Ų94126.5 Ų126.561%0.6172%0.722SS**  trans-115.862.8-17441.5-35.1000117.2R1889P1857-R1889 PolarHBondContact O-NH1 3.33Å; P1857-R1889 PolarHBondContact O-NH2 3.31Å
1858R21.4Very low25.8Very low247 Ų247125.4 Ų125.493%0.93272%0.72SS**  trans-84142.9134.9-71.7-179.5174.9178.3-0.7105.9
1859S25Very low26.1Very low79 Ų79128.3 Ų128.355%0.55273%0.728SS**  cis-171.6149.2-8.3160.90000106.9R1890S1859-R1890 PolarHBondContact OG-NH1 3.13Å
1860S26.2Very low26.2Very low79 Ų79127.1 Ų127.155%0.55273%0.726SS**  trans92.1128.4170.7-52.50000117.6R1890S1860-R1890 PolarHBondContact OG-NH1 2.91Å
1861V28.3Very low26.6Very low75 Ų75126.4 Ų126.446%0.45572%0.724SS.*  75.995.493-1760000111.3R1890V1861-R1890 VanDerWaalsContact CA-O 3.3Å; V1861-R1890 WeakPolarHBondContact CA-O 3.19Å; V1861-R1890 WeakPolarHBondContact CG2-O 3.29Å; V1861-R1890 PolarHBondContact N-O 3.21Å
1862V30.3Very low27Very low77 Ų77125 Ų12547%0.46772%0.722SS.*  65.3127.784.9174.20000112
1863N26.1Very low27.5Very low140 Ų140130.8 Ų130.875%0.74973%0.732SS**  cis-149.6169.630.1-138.9-2.7000112.1
1864P30.1Very low27.7Very low125 Ų125132.9 Ų132.981%0.81273%0.733SS**  -144.7160.5122.338.9-25.9000115.7
1865S26.9Very low28.1Very low119 Ų119131.7 Ų131.783%0.83273%0.733SS**  trans-105.2156.7179.452.30000113.6
1866L27.9Very low28.4Very low182 Ų182133 Ų13395%0.95373%0.73SS**  trans-152135.5-178.7-156.5168000112
1867G28.9Very low28.4Very low61 Ų61134.2 Ų134.263%0.62974%0.736SS**  trans159123.4169.800000109.8
1868E27.2Very low28.4Very low172 Ų172133.6 Ų133.680%0.80475%0.746SS**  -157.3136.466.3-80.4-141.392.200110.4
1869L26.7Very low28.8Very low148 Ų148126.5 Ų126.578%0.77574%0.74SS**  69.9146.184.4-82.587000115.9
1870A28.9Very low28.8Very low85 Ų85129 Ų12970%0.70275%0.752SS**  cis-174.7159.7-19.400000112.9
1871S30Very low28.9Very low109 Ų109131 Ų13176%0.76276%0.76SS**  trans-177160.814357.90000109.8
1872N31Very low28.9Very low150 Ų150132.4 Ų132.480%0.80277%0.769SS**  cis-156.8133.2-34-102.8-37.6000106.2
1873K32.8Very low28.6Very low205 Ų205133.8 Ų133.889%0.89178%0.782SS**  -169.5168.283.6-83.4179.9178.2177.10111.1
1874R26.8Very low28.8Very low214 Ų214132.6 Ų132.681%0.80879%0.785SS**  trans-109.8161.4175.6-65.9173.3173.3167.6-1.9109.7
1875T31.2Very low28.6Very low131 Ų131132.2 Ų132.280%0.80477%0.767SS**  -162.7146.564.738.30000110.4
1876R28.4Very low28.5Very low208 Ų208138.1 Ų138.179%0.78577%0.771SS**  cis76.1144.545.7-89.9-165.1175.1-163.5-1115.4
1877P34.3Very low28.9Very low119 Ų119133.8 Ų133.877%0.77376%0.756SS**  cis-141.2154.3-7.638.3-19.1000118.7
1878G28.6Very low28.9Very low81 Ų81140.4 Ų140.484%0.83577%0.768SS**  trans84.6150.6153.200000117.2
1879A29.1Very low28.9Very low97 Ų97139.6 Ų139.680%0.80276%0.757SS**  cis-168.8175.2-3.100000108
1880V26Very low28.8Very low133 Ų133139.4 Ų139.481%0.80675%0.747SS**  cis-179.4150.1-23.9137.40000105
1881V27.3Very low28.6Very low119 Ų119139.2 Ų139.272%0.72174%0.74SS**  cis-170.6159.9-30.9890000104.7
1882T27.6Very low28.3Very low105 Ų105138.7 Ų138.764%0.64474%0.736SS**  cis-155.8164.917.812.90000107.5
1883S24.9Very low28.2Very low106 Ų106138.2 Ų138.274%0.74173%0.734SS**  trans-151.2141.8147.485.90000113.6
1884S29.2Very low28Very low115 Ų115136.1 Ų136.180%0.80474%0.738SS**  trans82.6154160.7-54.60000120.1
1885R27.1Very low28Very low117 Ų117129.5 Ų129.544%0.44273%0.73SS.*  trans-127.3166-155.2-32.4118.6175.4-179.76.2113.4L1245 R1246 D1247 D1248L1245-R1885 HydrophobicContact CD2-CB 3.81Å; L1245-R1885 HydrophobicContact CD2-CG 4.33Å; R1246-R1885 HydrophobicContact CB-CG 4.09Å; D1247-R1885 VanDerWaalsContact C-CZ 3.4Å; D1247-R1885 VanDerWaalsContact CB-CZ 3.5Å; D1247-R1885 VanDerWaalsContact CB-NH2 3.32Å; D1247-R1885 VanDerWaalsContact CG-NH2 3.32Å; D1247-R1885 WeakPolarHBondContact O-CD 3.5Å; D1247-R1885 VanDerWaalsContact O-CZ 3.27Å; D1247-R1885 PolarHBondContact O-NE 3.06Å; D1247-R1885 PolarHBondContact O-NH1 2.71Å; D1247-R1885 IonicContact OD2-CZ 3.62Å; D1247-R1885 IonicContact OD2-NE 3.85Å; D1247-R1885 PolarHBondContact OD2-NE 2.71Å; D1247-R1885 IonicContact OD2-NH2 3.16Å; D1247-R1885 PolarHBondContact OD2-NH2 2.73Å; D1248-R1885 PolarHBondContact O-NH1 3.1Å; D1248-R1885 PolarHBondContact O-NH2 3.41Å
1886R24.9Very low27.8Very low243 Ų243128.2 Ų128.292%0.91773%0.732SS**  -161.3164.4123.4-126.5177.7177.4-178-1.7112.7
1887S35.7Very low27.6Very low91 Ų91122.4 Ų122.464%0.63673%0.728SS**  trans-147.7156-165.6-179.20000115.5
1888K28.1Very low27.1Very low201 Ų201124.7 Ų124.787%0.87473%0.729SS**  trans-159.3162.6168.8-85.8-173.8177.5-177.70106.9
1889R27.4Very low27Very low154 Ų154125.9 Ų125.958%0.58173%0.731SS**  cis176.4123.7-37.6-142.2-164.8-171.1-153.25.9105.1P1857P1857-R1889 PolarHBondContact O-NH1 3.33Å; P1857-R1889 PolarHBondContact O-NH2 3.31Å
1890R25.4Very low26.8Very low145 Ų145129.1 Ų129.155%0.54773%0.727SS.*  cis-168.1142.7-10138.8-83.1-161.21623.6105.8S1859 S1860 V1861S1859-R1890 PolarHBondContact OG-NH1 3.13Å; S1860-R1890 PolarHBondContact OG-NH1 2.91Å; V1861-R1890 VanDerWaalsContact CA-O 3.3Å; V1861-R1890 WeakPolarHBondContact CA-O 3.19Å; V1861-R1890 WeakPolarHBondContact CG2-O 3.29Å; V1861-R1890 PolarHBondContact N-O 3.21Å
1891S24Very low26.8Very low81 Ų81127.4 Ų127.457%0.56673%0.727SS**  trans-161.4159.3166.4560000113.9
1892S25.3Very low26.8Very low98 Ų98127.5 Ų127.569%0.68573%0.727SS**  trans-101.5131.7176.351.20000111.4
1893N27.6Very low26.8Very low140 Ų140126.9 Ų126.975%0.74973%0.733SS**  173.3120.3118.5-86.8-6.9000111.3A1895N1893-A1895 HydrophobicContact CB-CB 3.96Å; N1893-A1895 PolarHBondContact O-N 2.89Å
1894T28.9Very low26.9Very low160 Ų160128 Ų12898%0.98274%0.735SS**  trans-76.178.5163.5-520000108.4
1895A27.7Very low26.7Very low76 Ų76127.3 Ų127.363%0.62874%0.737SS**  trans-138.779.5-170.800000113.2N1893N1893-A1895 HydrophobicContact CB-CB 3.96Å; N1893-A1895 PolarHBondContact O-N 2.89Å
1896A25.8Very low26.5Very low103 Ų103125.5 Ų125.585%0.85175%0.754SS**  trans-15856.5166.300000108.8
1897A25.3Very low26.5Very low86 Ų86118 Ų11871%0.71174%0.739SS**  85.192.674.100000113.5
1898Q24.2Very low26Very low168 Ų168117.3 Ų117.379%0.78574%0.74SS**  trans58.796.8143.4-62.6176.4-49.600120.7
1899A26.2Very low26.4Very low106 Ų106111.3 Ų111.388%0.87672%0.717SS**  -141115.3122.800000106.7
1900F23.2Very low26.6Very low165 Ų165107.4 Ų107.472%0.72471%0.712SS**  cis96.980.720.4-151.6-74.8000114.7V1902F1900-V1902 HydrophobicContact CD1-CG2 3.75Å; F1900-V1902 HydrophobicContact CE1-CG2 3.45Å; F1900-V1902 VanDerWaalsContact CE1-CG2 3.45Å; F1900-V1902 HydrophobicContact CZ-CG2 4.34Å
1901A28Very low26.6Very low97 Ų97106.7 Ų106.780%0.80272%0.718SS**  trans-153.8121.6153.400000106.4
1902V25.5Very low26.8Very low120 Ų120107.4 Ų107.473%0.72773%0.728SS**  cis9592.635.2178.60000113.1F1900F1900-V1902 HydrophobicContact CD1-CG2 3.75Å; F1900-V1902 HydrophobicContact CE1-CG2 3.45Å; F1900-V1902 VanDerWaalsContact CE1-CG2 3.45Å; F1900-V1902 HydrophobicContact CZ-CG2 4.34Å
1903A27.7Very low26.9Very low93 Ų93107 Ų10777%0.76973%0.731SS**  trans160115.4147.300000107.1
1904T27.4Very low26.8Very low128 Ų128107.3 Ų107.379%0.78574%0.738SS**  cis-153.5120.79.5-370000104.8
1905A24.5Very low26.6Very low101 Ų101103 Ų10384%0.83573%0.725SS**  59.6132.664.600000112.8
1906G24.6Very low26.7Very low79 Ų79106.4 Ų106.481%0.81473%0.732SS**  cis-160.1-141.45.100000113.3
1907S23.3Very low26.8Very low85 Ų85109.6 Ų109.659%0.59473%0.731SS**  trans-116.4154.1-133.242.60000116.4
1908A26.1Very low26.8Very low78 Ų78108.5 Ų108.565%0.64573%0.728SS**  trans-114.2175.3178.800000112.3S1217 T1218S1217-A1908 VanDerWaalsContact C-C 3.47Å; S1217-A1908 CarbonylContact C-O 3.52Å; S1217-A1908 VanDerWaalsContact CA-O 3.32Å; S1217-A1908 WeakPolarHBondContact CA-O 3.47Å; T1218-A1908 VanDerWaalsContact N-C 3.32Å; T1218-A1908 PolarHBondContact N-O 3.38Å
1909N35.9Very low26.9Very low74 Ų74109.1 Ų109.140%0.39674%0.736SS.*BIsolated β-bridgecis-119.5-134.911-162.57.3000113.6S1216 S1217 I1219S1216-N1909 PolarHBondContact OG-O 3.16Å; S1216-N1909 VanDerWaalsContact OG-O 3.09Å; S1217-N1909 CarbonylContact C-O 2.98Å; S1217-N1909 CarbonylContact O-C 3.59Å; S1217-N1909 VanDerWaalsContact O-C 3.26Å; I1219-N1909 WeakPolarHBondContact O-CB 3.5Å; I1219-N1909 PolarHBondContact O-ND2 3.02Å
1910P31.3Very low26.9Very low73 Ų73107 Ų10747%0.47472%0.723SS.*  -145.6-156.2100.241.1-23.4000115.7T1218T1218-P1910 CarbonylContact O-C 3.53Å; T1218-P1910 WeakPolarHBondContact O-CA 3.42Å
1911L26Very low27.3Very low130 Ų130104.8 Ų104.868%0.68173%0.726SS**  trans-129.4117.1-171.3-157.7179.5000113.1
1912A28.3Very low27.2Very low95 Ų95107.5 Ų107.579%0.78573%0.727SS**  trans174.9146.9159.100000110.9
1913A26.7Very low27.1Very low90 Ų90109.5 Ų109.574%0.74473%0.733SS**  cis-161.4153-17.800000111.7
1914V25.5Very low26.9Very low146 Ų146114.3 Ų114.389%0.88574%0.737SS**  trans62.5108.8160.1-178.90000120.3
1915G26.1Very low26.8Very low70 Ų70119.7 Ų119.772%0.72274%0.743SS**  127.4134.811700000116.9
1916I29.1Very low26.7Very low148 Ų148120 Ų12076%0.75974%0.739SS**SBendcis-156.9143.4-7.2-79.2-172.6000105
1917M28.3Very low26.7Very low170 Ų170121.6 Ų121.684%0.83774%0.738SS**  cis-159.6170.5-21.8-96-161.9-61.300105.7
1918G24.8Very low26.7Very low63 Ų63120.6 Ų120.665%0.64974%0.741SS**  cis121.189.8500000112.9
1919L27.2Very low26.8Very low181 Ų181128.2 Ų128.295%0.94875%0.754SS**  trans-172.8135.7148.5-104.8175000110.8
1920G25.8Very low26.2Very low60 Ų60135.2 Ų135.262%0.61978%0.775SS**  trans-103.4160.4168.700000111.2
1921P30.9Very low25.8Very low120 Ų120140.9 Ų140.978%0.77979%0.793SS**  trans-81.9138.7-169.131.8-35.4000113.4
1922N25.4Very low25.7Very low154 Ų154139.6 Ų139.682%0.82480%0.795SS**  170.5114130-96.1-65000111
1923L24.9Very low25.5Very low162 Ų162140.3 Ų140.385%0.84880%0.801SS**  trans166.2152.9131.6-90.2168.2000112
1924F22.9Very low25.4Very low193 Ų193139.4 Ų139.485%0.84680%0.8SS**  trans-47.7134.8-178.2-64.3-104.1000116.1
1925R25.4Very low25.5Very low241 Ų241139.1 Ų139.191%0.90980%0.799SS**  -172.2155103.3-105.9-177.6176.9-143.2-1.8113.8
1926S21.6Very low25.5Very low109 Ų109140 Ų14076%0.76280%0.799SS**  trans-97.1172.1163.3-178.20000110.7
1927S24.4Very low25.3Very low112 Ų112139.4 Ų139.478%0.78380%0.802SS**  trans77.8125.717073.90000119.4
1928G25.1Very low25.3Very low64 Ų64137 Ų13766%0.6680%0.803SS**  trans85.6139.6162.500000116.1
1929Y28.1Very low25.2Very low237 Ų237140.5 Ų140.593%0.92981%0.811SS**  cis-152.9176.84.3-104.5-81000112.6
1930R22.7Very low25.1Very low222 Ų222135.9 Ų135.984%0.83880%0.799SS**  trans-64.9141.8-178.6-74.3179.2173.7168.6-3115.3
1931F21.9Very low25.1Very low191 Ų191138.3 Ų138.384%0.83881%0.807SS**  trans64.2143.4135.5-86.2-95.7000124.7
1932S23.7Very low24.8Very low103 Ų103140.8 Ų140.872%0.7281%0.808SS**  trans8992.5139.252.30000122.5
1933A24.1Very low25Very low111 Ų111140.3 Ų140.392%0.91781%0.81SS**  61.3131.8116.900000122.2
1934G24.7Very low25Very low70 Ų70135.6 Ų135.672%0.72280%0.801SS**  trans178.576.3170.800000117.5
1935T29.3Very low25.3Very low141 Ų141134.9 Ų134.987%0.86581%0.805SS**  trans48.3116149.346.50000123.8
1936A26Very low25.2Very low88 Ų88130.8 Ų130.873%0.72779%0.79SS**  74.7106.2118.300000123.7
1937T24.2Very low25.3Very low135 Ų135133.4 Ų133.483%0.82879%0.794SS**  25.9128.7129.454.80000122.1
1938S27.6Very low25.2Very low121 Ų121131.5 Ų131.585%0.84679%0.792SS**  -174-166.997.864.40000112.4
1939V23.8Very low25.6Very low136 Ų136134.7 Ų134.782%0.82480%0.802SS**  trans-140.4153.7-143.4-155.80000113.6
1940A24Very low25.8Very low84 Ų84126.1 Ų126.169%0.69477%0.774SS**  trans85.6156.9147.700000121.9
1941S26.9Very low26.2Very low111 Ų111117.8 Ų117.878%0.77675%0.748SS**  trans78.9141.6162.477.30000118.9
1942Q24.6Very low26.5Very low172 Ų172112.3 Ų112.380%0.80473%0.725SS**  cis-168.5166.8-31.1-129.6174.9700110.8
1943T28.8Very low26.7Very low143 Ų143111.6 Ų111.688%0.87772%0.72SS**  trans66.1154.7171.972.10000117.4
1944G24.9Very low26.8Very low63 Ų63113.8 Ų113.865%0.64972%0.716SS**  cis159.9147-12.600000114.2
1945L28.6Very low27.4Very low178 Ų178115.6 Ų115.693%0.93272%0.716SS**  trans69.3165171.2-50.6171.4000117.5
1946R23.5Very low27.5Very low156 Ų156113.8 Ų113.859%0.58971%0.709SS**  -165.3153.7-54.5-151-175.2-167.2-163.56108.8E1306E1306-R1946 IonicContact OE1-CZ 2.8Å; E1306-R1946 IonicContact OE1-NH2 2.72Å; E1306-R1946 PolarHBondContact OE1-NH2 3.45Å; E1306-R1946 IonicContact OE2-CZ 2.77Å; E1306-R1946 IonicContact OE2-NH1 2.71Å; E1306-R1946 IonicContact OE2-NH2 3.92Å; E1306-R1946 PolarHBondContact OE2-NH2 3.31Å
1947L23.9Very low27.5Very low163 Ų163117.7 Ų117.785%0.85372%0.716SS**  trans80.2154.2165.5-48.8173.4000119.3
1948G23.3Very low27.7Very low73 Ų73114.5 Ų114.575%0.75371%0.709SS**  trans-125.4-145.8-17700000113.3
1949P33.5Very low27.8Very low131 Ų131116.4 Ų116.485%0.85171%0.71SS**  cis-134.5-1593.240.8-19.2000116.1
1950T31.6Very low27.9Very low56 Ų56116.4 Ų116.434%0.34470%0.704SS.*  trans-66.20-171.347.30000117.2Q1215 S1216Q1215-T1950 PolarHBondContact NE2-O 2.93Å; Q1215-T1950 PolarHBondContact OE1-OG1 3.45Å; S1216-T1950 VanDerWaalsContact OG-CG2 3.28Å; S1216-T1950 WeakPolarHBondContact OG-CG2 3.46Å
1951P31.9Very low28Very low47 Ų47117.8 Ų117.831%0.30570%0.704SS.*  0179.8048.7-24.6000126.7F1214 Q1215F1214-P1951 HydrophobicContact CB-CG 3.59Å; F1214-P1951 HydrophobicContact CD1-CG 3.31Å; F1214-P1951 HydrophobicContact CD2-CG 4.32Å; F1214-P1951 HydrophobicContact CE1-CG 4.04Å; F1214-P1951 HydrophobicContact CG-CG 3.47Å; F1214-P1951 VanDerWaalsContact CG-CG 3.47Å; Q1215-P1951 HydrophobicContact CB-CB 4.42Å; Q1215-P1951 HydrophobicContact CG-CB 4.36Å; Q1215-P1951 HydrophobicContact CG-CG 4.29Å
1952H27.8Very low27.9Very low76 Ų76119.2 Ų119.235%0.35270%0.703SS.*  trans38.2118.8145.2-107.78.4000129.2Q1215 S1216Q1215-H1952 VanDerWaalsContact C-CD2 3.45Å; S1216-H1952 VanDerWaalsContact C-CE1 3.42Å; S1216-H1952 VanDerWaalsContact N-CB 3.3Å; S1216-H1952 PolarHBondContact N-CD2 2.81Å; S1216-H1952 VanDerWaalsContact N-CD2 3.28Å; S1216-H1952 PolarHBondContact O-CE1 2.78Å
1953S28.1Very low28.1Very low88 Ų88118 Ų11862%0.61570%0.702SS**  71143.9117.970.40000129.6
1954N26Very low28Very low157 Ų157115.9 Ų115.984%0.8469%0.693SS**  trans105152.5148.8-78.80.7000124.9
1955P37.1Very low28.1Very low108 Ų108117.9 Ų117.970%0.70170%0.697SS**  trans-142.3-175.8-147.945.7-26.9000121.1
1956S30.8Very low28Very low103 Ų103114.3 Ų114.372%0.7269%0.687SS**  trans98.4159143.477.80000124.3
1957I26.6Very low28.1Very low171 Ų171112 Ų11288%0.87769%0.694SS**  trans79.1144173.7-49.5170.5000116
1958G28.6Very low28.3Very low67 Ų67111 Ų11169%0.69169%0.688SS**  cis158.3156.6-13.500000116.3
1959N28.7Very low28.5Very low161 Ų161114.1 Ų114.186%0.86169%0.687SS**  trans88.2142.9152.7-97.98.4000127
1960I26.9Very low28.2Very low137 Ų137114.5 Ų114.570%0.70368%0.681SS**  trans106.2101.1137.2-76.9164.8000125
1961T25.4Very low28.1Very low112 Ų112116.5 Ų116.569%0.68770%0.698SS**  trans67.7131133.267.90000129
1962N24.9Very low27.9Very low142 Ų142117.3 Ų117.376%0.75971%0.714SS**  123140.1120.1-86.9-2.3000123
1963N29.6Very low28Very low147 Ų147118.8 Ų118.879%0.78673%0.734SS**  trans66.7147.8164.9-63.6-2.7000119.9
1964S26.7Very low27.9Very low97 Ų97121.8 Ų121.868%0.67874%0.743SS**  cis-171.8151.9-20.852.20000113
1965S26.5Very low27.9Very low106 Ų106118.5 Ų118.574%0.74173%0.732SS**  trans88.9131.2152-54.40000123.6
1966S26.7Very low27.1Very low103 Ų103118.7 Ų118.772%0.7274%0.736SS**  trans63.3104.6143.253.70000123.5
1967S26.2Very low26.8Very low106 Ų106118.5 Ų118.574%0.74174%0.735SS**  55.9144.411970.70000121.7
1968I27.5Very low26.7Very low142 Ų142117.4 Ų117.473%0.72873%0.73SS**  cis-158.9143.812.3-132161.1000111.8
1969I27.3Very low26.7Very low140 Ų140121.9 Ų121.972%0.71874%0.737SS**  trans34129.8139.8-60.8173.6000118.6
1970N27.8Very low26.4Very low138 Ų138121.4 Ų121.474%0.73873%0.733SS**  cis-152.1164.523.6-143.8-5000117
1971S28.9Very low26.2Very low98 Ų98119.9 Ų119.969%0.68573%0.734SS**  trans12.5133.8150.362.30000121.6
1972G27.7Very low26.2Very low64 Ų64120.1 Ų120.166%0.6674%0.738SS**  cis158.7169-5.300000115.2
1973S29.7Very low26.1Very low108 Ų108119.8 Ų119.876%0.75574%0.741SS**  trans5095167.446.80000116.9
1974N25.8Very low25.8Very low151 Ų151122.5 Ų122.581%0.80775%0.746SS**  66.992.384.7-68.84.2000111.9
1975S25.3Very low25.7Very low88 Ų88124.6 Ų124.662%0.61575%0.748SS**  78.5107.283.870.20000112.1
1976S22Very low25.6Very low111 Ų111126.9 Ų126.978%0.77675%0.752SS**  55.4107.671.280.70000113.5
1977S24.5Very low25.5Very low100 Ų100132.7 Ų132.770%0.69976%0.758SS**  trans-169.5111.6142.829.30000111.5
1978N24.5Very low25.5Very low147 Ų147132.8 Ų132.879%0.78676%0.759SS**  trans72.6166.4141.8-54.7-20.3000115.1
1979I27.4Very low25.5Very low161 Ų161133.7 Ų133.783%0.82676%0.76SS**  cis-124129.619.5-65.5169000113.2
1980I22.9Very low25.4Very low151 Ų151132.8 Ų132.877%0.77476%0.76SS**  trans-90.3139.3163.8-73.7168.6000108.4
1981S21.9Very low25.2Very low105 Ų105133.2 Ų133.273%0.73476%0.758SS**SBendtrans-80.1152.5168.7-580000111.5
1982P26Very low25Very low117 Ų117134.9 Ų134.976%0.7676%0.759SS**  cis-122.2173.6-8.439.9-26.2000113.1F1984P1982-F1984 PolarHBondContact O-N 2.87Å
1983V23.3Very low24.7Very low136 Ų136137.3 Ų137.382%0.82476%0.761SS**  trans-85.8104.2173.8-179.90000111.1
1984F22.3Very low24.5Very low204 Ų204138.1 Ų138.190%0.89577%0.767SS**  trans-146.666156.2-102-68.5000111.1P1982P1982-F1984 PolarHBondContact O-N 2.87Å
1985I25.5Very low24.4Very low140 Ų140133.5 Ų133.572%0.71876%0.755SS**  trans-121.8106.1168.3-65.6-176.8000109.7R1987I1985-R1987 HydrophobicContact CG2-CB 4.36Å; I1985-R1987 PolarHBondContact O-N 2.99Å
1986N23.3Very low24.4Very low155 Ų155139.7 Ų139.783%0.82977%0.767SS**  trans-49120156.9168.719.3000110.3
1987R26.3Very low24.4Very low225 Ų225139.3 Ų139.385%0.84976%0.76SS**  trans-159.8105169-122.2175.4-166.7-1643.3116.6I1985I1985-R1987 HydrophobicContact CG2-CB 4.36Å; I1985-R1987 PolarHBondContact O-N 2.99Å
1988S25.2Very low24.4Very low108 Ų108144.6 Ų144.676%0.75577%0.766SS**  trans-165.4140.4136.950.50000109.3
1989Q26.8Very low24.6Very low160 Ų160142.6 Ų142.675%0.74876%0.761SS**  cis-162.7-167.1-19.2-133.4-163.842.400109.1
1990V25.5Very low24.4Very low121 Ų121142.1 Ų142.173%0.73376%0.759SS**  trans76.7134.1163.4-167.30000116.8
1991Q24.5Very low24.7Very low147 Ų147140.8 Ų140.869%0.68776%0.764SS**  cis-169.7178.2-40.5-123.9166.1-18.800110.7
1992N24.4Very low25Very low134 Ų134141.5 Ų141.572%0.71777%0.765SS**  trans74.7138.5161.4-69.14.8000119.1
1993T22.3Very low25Very low114 Ų114139.1 Ų139.170%0.69976%0.763SS**  cis-168.6163-35.17.20000109.4
1994S24.8Very low25.1Very low126 Ų126140.7 Ų140.788%0.88177%0.765SS**  trans67.3154.7176.779.80000115.1
1995G22.6Very low25.1Very low54 Ų54134.6 Ų134.656%0.55775%0.747SS**  cis179.7168.5-3.800000111.1
1996Y26.9Very low25.2Very low217 Ų217134.8 Ų134.885%0.85175%0.75SS**  trans66.2128.6-175.6-51.9-83.3000113.2
1997T21.1Very low25.3Very low103 Ų103135.4 Ų135.463%0.63275%0.745SS**  cis60.9105.243.876.90000114
1998Y24.8Very low25.1Very low211 Ų211129.5 Ų129.583%0.82773%0.734SS**  -175.4162.9110.7-92.7-66.5000108.7
1999P29.2Very low25.1Very low106 Ų106133.1 Ų133.169%0.68874%0.741SS**  trans-91.1-143.9179.840.1-35.1000109.9
2000L23.3Very low25.1Very low151 Ų151129.6 Ų129.679%0.79173%0.734SS**  trans84.3106.1-180-52.3168.3000114.4P2002L2000-P2002 WeakPolarHBondContact O-CD 3.45Å
2001S28.6Very low25.4Very low123 Ų123129 Ų12986%0.8673%0.732SS**  trans-71.9129.2135.8-57.50000108
2002P28.9Very low25.6Very low119 Ų119127.3 Ų127.377%0.77373%0.732SS**  trans-103.1107.7137.2-8.126.4000107.5L2000L2000-P2002 WeakPolarHBondContact O-CD 3.45Å
2003G24.4Very low25.8Very low68 Ų68126.6 Ų126.670%0.70173%0.733SS**  trans-77.5130.4156.800000108.1
2004I26.6Very low26.1Very low169 Ų169129.9 Ų129.987%0.86774%0.743SS**  trans-149.8126.7150.9-106.1154.1000108.4
2005S22.7Very low26.3Very low76 Ų76126.6 Ų126.653%0.53173%0.729SS.*  trans-67.3135.5167.81670000109.2
2006N27.9Very low26.7Very low143 Ų143130.4 Ų130.477%0.76574%0.741SS**  -169.1131.9109.9-83-25.3000110.1
2007K23.8Very low26.8Very low169 Ų169127.4 Ų127.474%0.73574%0.74SS**  cis78135.828.9-158-158.1178-177.30112.9
2008V23Very low27.3Very low101 Ų101125.9 Ų125.961%0.61275%0.745SS**  trans73.199.6170.8-161.80000116.9
2009M25.9Very low27.5Very low184 Ų184122 Ų12291%0.90674%0.743SS**SBend-123.2135.2111.1-80.7-17768.300107.5
2010S24.9Very low27.4Very low85 Ų85123.2 Ų123.259%0.59475%0.749SS**SBendcis-177.1163-18.535.30000107.3
2011P33.5Very low27.7Very low108 Ų108123 Ų12370%0.70175%0.753SS**  cis-119.3-1711.939.1-20.9000111.7
2012T27.5Very low27.7Very low113 Ų113120.7 Ų120.769%0.69374%0.742SS**  cis-153.5144.714-28.40000112.3
2013T29.1Very low27.6Very low119 Ų119121.2 Ų121.273%0.7374%0.743SS**  trans55.7120.6150.741.20000125
2014M27.8Very low27.7Very low182 Ų182123.2 Ų123.290%0.89774%0.741SS**  trans62.1138.7134.7-50.9-86.586.300121.3
2015G30.2Very low27.6Very low58 Ų58122.3 Ų122.360%0.59874%0.738SS**  cis167.5142.2-13.600000115.5
2016T31.6Very low27.6Very low133 Ų133125.6 Ų125.682%0.81675%0.746SS**  trans71162.5163.571.40000120.1
2017N29.1Very low27.4Very low155 Ų155124.4 Ų124.483%0.82974%0.744SS**  cis-167.9145.3-32.6-94.6-10.5000113.2
2018G30.2Very low27.4Very low71 Ų71121.8 Ų121.873%0.73275%0.747SS**  trans81.3156.9147.600000121.8
2019T29.5Very low27.3Very low128 Ų128122.2 Ų122.279%0.78576%0.755SS**  cis-166.9124.5-10.6-65.60000113.5
2020V26.9Very low27.1Very low133 Ų133118.7 Ų118.781%0.80674%0.738SS**  trans69.9164.9159.5178.30000114.5
2021V29.8Very low26.9Very low145 Ų145117.9 Ų117.988%0.87973%0.729SS**  cis-145.1-143.542.9-149.70000115.3
2022A28.9Very low26.3Very low76 Ų76117 Ų11763%0.62873%0.725SS**  trans-142.7137.2-16300000113.2
2023T26.2Very low26.1Very low130 Ų130114.5 Ų114.580%0.79871%0.71SS**  66.1133.890.3-12.70000114.6
2024T26.8Very low26.1Very low109 Ų109114.7 Ų114.767%0.66971%0.711SS**  cis-169.9131.740.9-47.50000115.2
2025L25.5Very low26.2Very low151 Ų151111.2 Ų111.279%0.79170%0.702SS**  trans58.5158.6154.9-65.9176.2000120.6
2026M22.7Very low26Very low144 Ų144114.3 Ų114.371%0.70971%0.709SS**  cis-148.4155.84.7-109.5-121.3-172.300113.7
2027T23.4Very low25.7Very low118 Ų118112.2 Ų112.272%0.72470%0.7SS**  trans66.7134.5152.9460000124.6
2028S22.1Very low25.6Very low114 Ų114111 Ų11180%0.79769%0.694SS**  trans88.4130.1149.6-62.50000120.9
2029S21.5Very low25.4Very low110 Ų110112.9 Ų112.977%0.76969%0.691SS**  trans57.1101.6159.5-62.70000120.7
2030M21.4Very low25.2Very low111 Ų111112.1 Ų112.155%0.54769%0.687SS.*  trans64.5178.1133.7-78.9-85.3-177.500118.5T2097M2030-T2097 PolarHBondContact SD-OG1 3.24Å
2031V21.3Very low24.9Very low68 Ų68114.4 Ų114.441%0.41269%0.686SS.*  trans61.697.8141.7165.90000117G2094 T2095 N2096V2031-G2094 VanDerWaalsContact CG1-CA 3.42Å; V2031-T2095 CarbonylContact C-O 3.45Å; V2031-N2096 VanDerWaalsContact CA-CB 3.47Å; V2031-N2096 HydrophobicContact CG2-CB 4.39Å
2032S21.4Very low24.6Very low88 Ų88117 Ų11762%0.61568%0.68SS**  trans-165.635.1-154.6750000119.7G2094 T2095 N2096S2032-G2094 PolarHBondContact N-O 3.24Å; S2032-T2095 PolarHBondContact N-O 2.91Å; S2032-N2096 PolarHBondContact OG-ND2 3.49Å
2033T23.2Very low24.4Very low61 Ų61120.9 Ų120.937%0.37469%0.69SS.*  trans-116.2141.6-169.477.80000119.2T2095 N2096T2033-T2095 PolarHBondContact N-O 3.35Å; T2033-T2095 WeakPolarHBondContact OG1-CB 3.42Å; T2033-T2095 PolarHBondContact OG1-OG1 3.19Å; T2033-N2096 HydrophobicContact CG2-CB 4.42Å
2034T28.5Very low24.4Very low123 Ų123120 Ų12076%0.75568%0.68SS**  trans66.4-168.3162.375.90000115.5
2035P30.1Very low24.6Very low109 Ų109122.8 Ų122.871%0.70869%0.69SS**  cis-104-161.5-2717.76.6000109.7
2036T25.3Very low24.5Very low123 Ų123122.1 Ų122.176%0.75569%0.687SS**  cis-172.116647.234.30000109.1
2037S25.2Very low24.9Very low89 Ų89126.4 Ų126.462%0.62270%0.695SS**  cis-174.4176.8-2152.90000109.3
2038N27.8Very low25.1Very low130 Ų130126.4 Ų126.470%0.69570%0.7SS**  trans141.4106.3137.5-76.4-3.9000112.2
2039T26.9Very low25.5Very low110 Ų110124.2 Ų124.268%0.67570%0.696SS**  75.5149.168.669.60000111.7
2040T23.7Very low25.9Very low113 Ų113126.5 Ų126.569%0.69370%0.698SS**  cis-160.7-174.546.70000107.5
2041F22.3Very low26Very low181 Ų181128.1 Ų128.179%0.79471%0.709SS**  cis-152.1-158.113.8-145.1-10.5000113.7
2042R22.8Very low26.4Very low199 Ų199132.2 Ų132.275%0.75173%0.727SS**  trans-101.9175.5167.6-56.7168.9170.5-173.4-4.8109.9
2043L25.4Very low26.5Very low158 Ų158134.8 Ų134.883%0.82773%0.732SS**  -170.7129.4111.6-87.3176.7000105.9
2044N24.7Very low26.6Very low112 Ų112137.2 Ų137.260%0.59975%0.747SS**  cis79.7117.132.1-163.137.7000114.5
2045L30.5Very low26.5Very low167 Ų167137.3 Ų137.387%0.87475%0.748SS**  trans-158.1143.9175.2-111.7168.9000111.7
2046N25.3Very low26.3Very low137 Ų137136.4 Ų136.473%0.73374%0.744SS**  trans-114.7160.8-178.7-62.3-40.5000111.4
2047R30.8Very low26.2Very low234 Ų234137 Ų13788%0.88375%0.748SS**  trans-167.6136.3137.7-119.7177.4-175.4-157.3-0.8116.8
2048S26.4Very low26.4Very low118 Ų118138 Ų13883%0.82575%0.753SS**  trans47.9140.5145.454.10000122
2049G31.7Very low26.1Very low68 Ų68135.5 Ų135.570%0.70176%0.757SS**  cis156178.4-3.500000113.7
2050L29.3Very low25.9Very low158 Ų158135.5 Ų135.583%0.82776%0.757SS**  trans68114.4175.2-58.4171.5000115.2
2051N24.3Very low25.7Very low144 Ų144137 Ų13777%0.7776%0.759SS**  83.9108.764.3-80.9-1000114.3
2052I28.2Very low25.7Very low154 Ų154133.4 Ų133.479%0.7975%0.752SS**  -167.1128.6115.9-99.8158.8000111
2053I23.1Very low25.7Very low142 Ų142130.4 Ų130.473%0.72875%0.751SS**  trans18.3124.4138.9-23.8173.9000115.4
2054T26.5Very low25.5Very low112 Ų112128.4 Ų128.469%0.68775%0.746SS**  -149.4141.25251.40000116
2055T26Very low25.4Very low125 Ų125130.1 Ų130.177%0.76776%0.755SS**  trans56.5143.2139.857.90000122.2
2056S26Very low25Very low90 Ų90127 Ų12763%0.62975%0.747SS**  cis-175.1146.8-15.747.90000112.1
2057T22.6Very low24.9Very low136 Ų136126.2 Ų126.283%0.83475%0.747SS**  trans65.6155.4147.247.80000120.1
2058P29.3Very low24.5Very low111 Ų111118.9 Ų118.972%0.72173%0.732SS**  trans-132.9168.6-149.142-25.1000116.5T2060P2058-T2060 PolarHBondContact O-OG1 3.15Å
2059G22.9Very low24.3Very low76 Ų76119.8 Ų119.878%0.78473%0.727SS**  trans63.1-155.915800000115.2
2060T21.3Very low24.1Very low111 Ų111122.7 Ų122.768%0.68173%0.727SS**  cis-156.4145-8.5-13.40000110.3P2058P2058-T2060 PolarHBondContact O-OG1 3.15Å
2061I21.2Very low24Very low144 Ų144121.4 Ų121.474%0.73872%0.721SS**  trans70158.2149.8-73.3157.9000117.5
2062T22.1Very low24.3Very low106 Ų106120.9 Ų120.965%0.6572%0.723SS**  trans67.2113.7164.439.70000121.3
2063N21.5Very low24Very low135 Ų135122.3 Ų122.372%0.72272%0.724SS**  90.5150.1117.9-70.7-3.3000122.3
2064T22.4Very low24Very low117 Ų117121.9 Ų121.972%0.71872%0.723SS**  trans68.3131.915836.90000114.7
2065N21.3Very low23.8Very low148 Ų148125.5 Ų125.579%0.79173%0.73SS**  44.2122.382.3-54.2-15.6000110.2
2066S23.7Very low23.8Very low102 Ų102126.3 Ų126.371%0.71373%0.725SS**  cis-162.1-177.342.160.50000114.2
2067T22.6Very low23.9Very low119 Ų119127.8 Ų127.873%0.7373%0.732SS**  trans-23.8152.9140.850.90000114.9
2068S22.6Very low23.9Very low81 Ų81129.8 Ų129.857%0.56673%0.726SS**  cis175.4161.2-349.10000108.5
2069N22.4Very low23.7Very low136 Ų136131.5 Ų131.573%0.72773%0.729SS**  trans65.9145.9166.4-45.4-20.7000113.2
2070N27.1Very low23.7Very low130 Ų130135.9 Ų135.970%0.69573%0.733SS**  -163.8157.850.4-89.3-67.1000112.1
2071N27Very low23.8Very low130 Ų130136.5 Ų136.570%0.69574%0.737SS**  trans66.4138.7147.5-59.4-12.4000121
2072T30.2Very low24Very low134 Ų134134.4 Ų134.482%0.82274%0.735SS**  trans50.996.4161.649.80000116.9
2073F22.8Very low24.2Very low184 Ų184135.6 Ų135.681%0.80775%0.745SS**  cis5680.37.1-88.5-78.5000116.6
2074N22.9Very low24.2Very low132 Ų132135.2 Ų135.271%0.70675%0.747SS**  178.2155.7102.1-93.8-27.5000113.7
2075F22.4Very low24.2Very low188 Ų188137.1 Ų137.183%0.82575%0.752SS**  trans46.679.2164.5-65.1-66.2000119.7
2076H24.8Very low24.5Very low143 Ų143138.3 Ų138.366%0.66276%0.757SS**  trans-159.6144.7132.3-94.1-51.8000109.5Y2078H2076-Y2078 HydrophobicContact CB-CD2 3.47Å; H2076-Y2078 VanDerWaalsContact CB-CD2 3.47Å; H2076-Y2078 HydrophobicContact CB-CE2 3.55Å; H2076-Y2078 HydrophobicContact CB-CG 4.38Å; H2076-Y2078 AromaticContact CD2-CE2 3.62Å; H2076-Y2078 AromaticContact CD2-CZ 3.86Å; H2076-Y2078 AromaticContact CG-CD2 3.91Å; H2076-Y2078 AromaticContact CG-CE2 3.65Å
2077P28.2Very low24.5Very low121 Ų121141.4 Ų141.479%0.78676%0.76SS**  -128.9142.996.736.7-28.9000111.3
2078Y24.3Very low24.6Very low178 Ų178141 Ų14170%0.69876%0.762SS**  cis79.4126.740.5-74.2-56.4000116.5H2076H2076-Y2078 HydrophobicContact CB-CD2 3.47Å; H2076-Y2078 VanDerWaalsContact CB-CD2 3.47Å; H2076-Y2078 HydrophobicContact CB-CE2 3.55Å; H2076-Y2078 HydrophobicContact CB-CG 4.38Å; H2076-Y2078 AromaticContact CD2-CE2 3.62Å; H2076-Y2078 AromaticContact CD2-CZ 3.86Å; H2076-Y2078 AromaticContact CG-CD2 3.91Å; H2076-Y2078 AromaticContact CG-CE2 3.65Å
2079N23.2Very low24.8Very low147 Ų147142.1 Ų142.179%0.78677%0.77SS**  trans-39.9151.7165.4-54.4-35.8000113.8
2080L24.4Very low24.9Very low167 Ų167140.6 Ų140.687%0.87477%0.769SS**  -159.4123.4127.8-112.4161000112.7
2081T22.9Very low24.8Very low124 Ų124142.6 Ų142.676%0.76178%0.778SS**  trans-79.213116346.30000110.2
2082S24.6Very low24.9Very low101 Ų101140.1 Ų140.171%0.70678%0.784SS**  trans63.9160.4169.4-52.40000115.6
2083P26Very low24.9Very low130 Ų130141.1 Ų141.184%0.84479%0.789SS**  -143.6157.2101.238-24.5000115.9
2084T22.5Very low25.1Very low127 Ų127133.7 Ų133.778%0.77977%0.765SS**  trans-63.8162.7166.7-46.20000112.4I2086T2084-I2086 PolarHBondContact O-N 2.91Å
2085L21.8Very low25.3Very low158 Ų158131.5 Ų131.583%0.82776%0.756SS**  trans-40.5127.4161.4-72.6152.8000113.8
2086I27.5Very low25.5Very low172 Ų172126.4 Ų126.488%0.88274%0.738SS**  trans-137.2147.1137.4-71.4-165.1000108.5T2084T2084-I2086 PolarHBondContact O-N 2.91Å
2087Q23.4Very low25.6Very low168 Ų168123.2 Ų123.279%0.78573%0.728SS**  trans-94.5167-171.9-61.6166.3-101.500114
2088S24.8Very low25.7Very low110 Ų110120.6 Ų120.677%0.76972%0.723SS**  trans80.8146.3144.980.80000117.2
2089S26.9Very low26Very low105 Ų105118.6 Ų118.673%0.73472%0.72SS**  cis-154.2164.43.6-13.20000109.2
2090C25.2Very low26.5Very low103 Ų103116.8 Ų116.870%0.69672%0.718SS**  cis-166.6168.8-0.148.30000111.8
2091L25.7Very low27.3Very low172 Ų172113.5 Ų113.590%0.90170%0.704SS**  trans66119.8157-66.4159.6000119.9
2092G29.3Very low28Very low78 Ų78113 Ų11380%0.80470%0.697SS**  trans162.464.9169.500000117.4
2093V29Very low28.8Very low155 Ų155114.4 Ų114.494%0.93969%0.693SS**  trans-1.8133.8165.1-172.60000119
2094G28.4Very low29.7Very low29 Ų29111.1 Ų111.130%0.29968%0.676SS.*  trans-165.9-98.1176.800000118.7V2031 S2032V2031-G2094 VanDerWaalsContact CG1-CA 3.42Å; S2032-G2094 PolarHBondContact N-O 3.24Å
2095T26.4Very low30.9Very low86 Ų86111.4 Ų111.453%0.52867%0.667SS.*  trans56.4108-176.959.50000120.9V2031 S2032 T2033V2031-T2095 CarbonylContact C-O 3.45Å; S2032-T2095 PolarHBondContact N-O 2.91Å; T2033-T2095 PolarHBondContact N-O 3.35Å; T2033-T2095 WeakPolarHBondContact OG1-CB 3.42Å; T2033-T2095 PolarHBondContact OG1-OG1 3.19Å
2096N25.8Very low32.1Very low81 Ų81110.7 Ų110.743%0.43365%0.653SS.*  trans-175.5165.1144.7-147.5-5.8000114.6V2031 S2032 T2033V2031-N2096 VanDerWaalsContact CA-CB 3.47Å; V2031-N2096 HydrophobicContact CG2-CB 4.39Å; S2032-N2096 PolarHBondContact OG-ND2 3.49Å; T2033-N2096 HydrophobicContact CG2-CB 4.42Å
2097T27.8Very low33.5Very low75 Ų75104.8 Ų104.846%0.4662%0.624SS.*  trans51.293.4153.340.40000120.2M2030 H2099M2030-T2097 PolarHBondContact SD-OG1 3.24Å; T2097-H2099 PolarHBondContact O-N 3.38Å
2098G29Very low35.6Very low66 Ų66100.1 Ų100.168%0.6861%0.606SS**  trans-52.2115.6164.300000115.6
2099H30.9Very low37.3Very low137 Ų13797.2 Ų97.263%0.63458%0.581SS**  trans-124.4-28.1161-98.432.5000113T2097 T2101 N2102T2097-H2099 PolarHBondContact O-N 3.38Å; H2099-T2101 VanDerWaalsContact C-N 3.29Å; H2099-T2101 PolarHBondContact O-N 3.08Å; H2099-N2102 PolarHBondContact O-N 3.38Å
2100C34.1Very low39.1Very low109 Ų10994.3 Ų94.374%0.73656%0.557SS**Hα-helixtrans-62.1-30.4-173.4-52.10000114.3N2102 Q2103 A2104C2100-N2102 PolarHBondContact O-N 3.39Å; C2100-Q2103 PolarHBondContact O-N 2.73Å; C2100-A2104 PolarHBondContact O-N 3.28Å; C2100-A2104 VanDerWaalsContact O-N 3.16Å
2101T42.4Very low41.3Very low97 Ų9789.9 Ų89.960%0.59553%0.528SS*.Hα-helixtrans-66.5-33.6-178.846.90000113.4H2099 K2105H2099-T2101 VanDerWaalsContact C-N 3.29Å; H2099-T2101 PolarHBondContact O-N 3.08Å; T2101-K2105 PolarHBondContact O-N 3.13Å
2102N37Very low43.6Very low113 Ų11383.5 Ų83.560%0.60450%0.497SS*.Hα-helixtrans-76.3-32.2179.7-73-9.9000112.1H2099 C2100 R2106H2099-N2102 PolarHBondContact O-N 3.38Å; C2100-N2102 PolarHBondContact O-N 3.39Å; N2102-R2106 WeakPolarHBondContact O-CB 3.42Å; N2102-R2106 PolarHBondContact O-N 3.18Å
2103Q40.9Very low45.5Very low131 Ų13181.3 Ų81.361%0.61247%0.471SS*.Hα-helixtrans-72.3-43.1176.4-169.2166-3.900111.3C2100 K2105 R2106 N2107C2100-Q2103 PolarHBondContact O-N 2.73Å; Q2103-K2105 PolarHBondContact O-N 2.91Å; Q2103-R2106 PolarHBondContact O-N 3.4Å; Q2103-R2106 VanDerWaalsContact O-N 3.15Å; Q2103-N2107 PolarHBondContact O-N 3.05Å; Q2103-N2107 PolarHBondContact O-OD1 3.02Å
2104A46Very low47.8Very low61 Ų6174.3 Ų74.350%0.50443%0.429SS..Hα-helixtrans-55.1-49.5172.900000111.9C2100 R2106 N2107 T2108C2100-A2104 PolarHBondContact O-N 3.28Å; C2100-A2104 VanDerWaalsContact O-N 3.16Å; A2104-R2106 PolarHBondContact O-N 3.44Å; A2104-N2107 PolarHBondContact O-N 3.27Å; A2104-T2108 PolarHBondContact O-N 2.78Å; A2104-T2108 VanDerWaalsContact O-N 3.09Å; A2104-T2108 PolarHBondContact O-OG1 3.42Å; A2104-T2108 VanDerWaalsContact O-OG1 3.05Å
2105K46.5Very low50.4Low133 Ų13373.2 Ų73.258%0.57842%0.416SS*.Hα-helixtrans-55.6-49.8173.5-77.2-170.1171.7-162.70112T2101 Q2103 N2107 T2108 M2109T2101-K2105 PolarHBondContact O-N 3.13Å; Q2103-K2105 PolarHBondContact O-N 2.91Å; K2105-N2107 PolarHBondContact O-N 2.99Å; K2105-T2108 PolarHBondContact O-N 3.04Å; K2105-M2109 VanDerWaalsContact O-CG 3.27Å; K2105-M2109 WeakPolarHBondContact O-CG 3.32Å; K2105-M2109 PolarHBondContact O-N 2.87Å
2106R47.7Very low53Low144 Ų14471.6 Ų71.654%0.54340%0.404SS..Hα-helixtrans-55.8-47.4-179.5-178.2179.3176.382.13.7112.3N2102 Q2103 A2104 M2109 L2110N2102-R2106 WeakPolarHBondContact O-CB 3.42Å; N2102-R2106 PolarHBondContact O-N 3.18Å; Q2103-R2106 PolarHBondContact O-N 3.4Å; Q2103-R2106 VanDerWaalsContact O-N 3.15Å; A2104-R2106 PolarHBondContact O-N 3.44Å; R2106-M2109 PolarHBondContact O-N 3.23Å; R2106-L2110 HydrophobicContact CG-CD1 4.25Å; R2106-L2110 WeakPolarHBondContact O-CG 3.37Å; R2106-L2110 PolarHBondContact O-N 3.39Å
2107N57.1Low55.6Low48 Ų4870.6 Ų70.626%0.25739%0.394SS..Hα-helixtrans-68.7-39-178.3-66.244000111.3D1022 Q2103 A2104 K2105 M2109 L2110 A2111D1022-N2107 PolarHBondContact OD1-ND2 3.43Å; D1022-N2107 VanDerWaalsContact OD1-ND2 3.07Å; D1022-N2107 PolarHBondContact OD2-ND2 3.41Å; Q2103-N2107 PolarHBondContact O-N 3.05Å; Q2103-N2107 PolarHBondContact O-OD1 3.02Å; A2104-N2107 PolarHBondContact O-N 3.27Å; K2105-N2107 PolarHBondContact O-N 2.99Å; N2107-M2109 VanDerWaalsContact C-N 3.26Å; N2107-M2109 PolarHBondContact O-N 3.48Å; N2107-L2110 PolarHBondContact O-N 3.32Å; N2107-A2111 WeakPolarHBondContact O-CB 3.48Å; N2107-A2111 PolarHBondContact O-N 2.89Å
2108T66.4Low58.5Low69 Ų6967.1 Ų67.142%0.42337%0.373SS..Hα-helixtrans-57.1-40171.3-55.90000112.1A2104 K2105 A2111 T2112A2104-T2108 PolarHBondContact O-N 2.78Å; A2104-T2108 VanDerWaalsContact O-N 3.09Å; A2104-T2108 PolarHBondContact O-OG1 3.42Å; A2104-T2108 VanDerWaalsContact O-OG1 3.05Å; K2105-T2108 PolarHBondContact O-N 3.04Å; T2108-A2111 WeakPolarHBondContact O-CB 3.39Å; T2108-A2111 PolarHBondContact O-N 3.29Å; T2108-T2112 PolarHBondContact O-N 3.06Å; T2108-T2112 PolarHBondContact O-OG1 3.13Å
2109M60.1Low61.4Low49 Ų4964.3 Ų64.324%0.24134%0.342CS..Hα-helixtrans-76-34.7-178.4-65.2-177.576.600113.4S930 A931 K2105 R2106 N2107 A2111 A2113S930-M2109 WeakPolarHBondContact CB-SD 3.43Å; S930-M2109 WeakPolarHBondContact O-CE 3.33Å; S930-M2109 WeakPolarHBondContact OG-CE 3.34Å; S930-M2109 PolarHBondContact OG-SD 3.07Å; A931-M2109 HydrophobicContact CB-CE 3.57Å; K2105-M2109 VanDerWaalsContact O-CG 3.27Å; K2105-M2109 WeakPolarHBondContact O-CG 3.32Å; K2105-M2109 PolarHBondContact O-N 2.87Å; R2106-M2109 PolarHBondContact O-N 3.23Å; N2107-M2109 VanDerWaalsContact C-N 3.26Å; N2107-M2109 PolarHBondContact O-N 3.48Å; M2109-A2111 VanDerWaalsContact C-N 3.31Å; M2109-A2113 VanDerWaalsContact O-CB 3.27Å; M2109-A2113 WeakPolarHBondContact O-CB 3.4Å; M2109-A2113 PolarHBondContact O-N 3.37Å
2110L65Low64Low44 Ų4462 Ų6223%0.2333%0.334CS..Hα-helixtrans-62.1-41.9168.8-69.1172000110.5R2106 N2107 A2113 S2114R2106-L2110 HydrophobicContact CG-CD1 4.25Å; R2106-L2110 WeakPolarHBondContact O-CG 3.37Å; R2106-L2110 PolarHBondContact O-N 3.39Å; N2107-L2110 PolarHBondContact O-N 3.32Å; L2110-A2113 PolarHBondContact O-N 3.22Å; L2110-S2114 WeakPolarHBondContact O-CB 3.4Å; L2110-S2114 PolarHBondContact O-N 3.38Å; L2110-S2114 PolarHBondContact O-OG 3.48Å; L2110-S2114 VanDerWaalsContact O-OG 3.12Å
2111A71.6Confident66.7Low11 Ų1156.8 Ų56.89%0.09130%0.3CS..Hα-helixtrans-61.1-52174.900000112.6P1021 N2107 T2108 M2109 A2113 S2114 C2115 H2155P1021-A2111 HydrophobicContact CB-CB 4Å; P1021-A2111 HydrophobicContact CG-CB 3.89Å; N2107-A2111 WeakPolarHBondContact O-CB 3.48Å; N2107-A2111 PolarHBondContact O-N 2.89Å; T2108-A2111 WeakPolarHBondContact O-CB 3.39Å; T2108-A2111 PolarHBondContact O-N 3.29Å; M2109-A2111 VanDerWaalsContact C-N 3.31Å; A2111-A2113 PolarHBondContact O-N 3.02Å; A2111-S2114 PolarHBondContact O-N 3.17Å; A2111-C2115 VanDerWaalsContact O-CB 3.32Å; A2111-C2115 WeakPolarHBondContact O-CB 3.32Å; A2111-C2115 PolarHBondContact O-N 3.07Å; A2111-H2155 HydrophobicContact CB-CB 4.42Å
2112T75.1Confident69.1Low38 Ų3852.2 Ų52.223%0.23327%0.271CS..Hα-helixtrans-55.7-48.3175.1-69.90000111.6T2108 S2114 C2115 L2116 H2155T2108-T2112 PolarHBondContact O-N 3.06Å; T2108-T2112 PolarHBondContact O-OG1 3.13Å; T2112-S2114 PolarHBondContact O-N 3.23Å; T2112-C2115 PolarHBondContact O-N 3.04Å; T2112-L2116 HydrophobicContact CG2-CD1 3.99Å; T2112-L2116 HydrophobicContact CG2-CG 4.49Å; T2112-L2116 WeakPolarHBondContact O-CB 3.38Å; T2112-L2116 WeakPolarHBondContact O-CG 3.28Å; T2112-L2116 PolarHBondContact O-N 3Å; T2112-H2155 WeakPolarHBondContact CB-O 3.3Å; T2112-H2155 WeakPolarHBondContact CG2-O 3.24Å; T2112-H2155 PolarHBondContact OG1-O 2.72Å
2113A69.5Low71.7Confident32 Ų3252.5 Ų52.526%0.26426%0.264SS..Hα-helixtrans-67.6-35.8-177.100000112.7M2109 L2110 A2111 R2117M2109-A2113 VanDerWaalsContact O-CB 3.27Å; M2109-A2113 WeakPolarHBondContact O-CB 3.4Å; M2109-A2113 PolarHBondContact O-N 3.37Å; L2110-A2113 PolarHBondContact O-N 3.22Å; A2111-A2113 PolarHBondContact O-N 3.02Å; A2113-R2117 VanDerWaalsContact C-NH1 3.3Å; A2113-R2117 VanDerWaalsContact CB-NH2 3.25Å; A2113-R2117 WeakPolarHBondContact O-CG 2.89Å; A2113-R2117 VanDerWaalsContact O-CZ 3.31Å; A2113-R2117 PolarHBondContact O-N 3.19Å; A2113-R2117 VanDerWaalsContact O-N 3.09Å; A2113-R2117 PolarHBondContact O-NH1 2.91Å
2114S76.5Confident74.1Confident8 Ų847.8 Ų47.86%0.05624%0.242CC..Hα-helixtrans-69.4-40173.7-66.40000112.6L2110 A2111 T2112 L2116 R2117 V2118L2110-S2114 WeakPolarHBondContact O-CB 3.4Å; L2110-S2114 PolarHBondContact O-N 3.38Å; L2110-S2114 PolarHBondContact O-OG 3.48Å; L2110-S2114 VanDerWaalsContact O-OG 3.12Å; A2111-S2114 PolarHBondContact O-N 3.17Å; T2112-S2114 PolarHBondContact O-N 3.23Å; S2114-L2116 PolarHBondContact O-N 2.85Å; S2114-R2117 PolarHBondContact O-N 3.28Å; S2114-R2117 PolarHBondContact OG-NH1 3.22Å; S2114-V2118 PolarHBondContact O-N 3.05Å
2115C83.4Confident76.3Confident6 Ų644.9 Ų44.94%0.04122%0.218CC..Hα-helixtrans-63-42.5174.8-1500000111.8L1018 A2111 T2112 R2117 V2118 L2119 L2156L1018-C2115 HydrophobicContact CD2-CB 4.11Å; L1018-C2115 WeakPolarHBondContact CD2-SG 3.05Å; A2111-C2115 VanDerWaalsContact O-CB 3.32Å; A2111-C2115 WeakPolarHBondContact O-CB 3.32Å; A2111-C2115 PolarHBondContact O-N 3.07Å; T2112-C2115 PolarHBondContact O-N 3.04Å; C2115-R2117 PolarHBondContact O-N 2.99Å; C2115-V2118 PolarHBondContact O-N 2.97Å; C2115-L2119 WeakPolarHBondContact O-CB 2.99Å; C2115-L2119 PolarHBondContact O-N 3.46Å; C2115-L2156 HydrophobicContact CB-CD1 3.77Å; C2115-L2156 WeakPolarHBondContact SG-CD1 3.44Å
2116L80.6Confident78.5Confident52 Ų5238.5 Ų38.527%0.27219%0.19SC..Hα-helixtrans-62.4-35.7173-72.7172.4000113.3T2112 S2114 N2120 D2160T2112-L2116 HydrophobicContact CG2-CD1 3.99Å; T2112-L2116 HydrophobicContact CG2-CG 4.49Å; T2112-L2116 WeakPolarHBondContact O-CB 3.38Å; T2112-L2116 WeakPolarHBondContact O-CG 3.28Å; T2112-L2116 PolarHBondContact O-N 3Å; S2114-L2116 PolarHBondContact O-N 2.85Å; L2116-N2120 WeakPolarHBondContact O-CB 3.3Å; L2116-N2120 PolarHBondContact O-N 2.97Å; L2116-N2120 PolarHBondContact O-ND2 3.12Å; L2116-D2160 HydrophobicContact CD2-CB 4.37Å
2117R80.6Confident80.3Confident60 Ų6034.5 Ų34.523%0.22618%0.182CC..Hα-helixtrans-69.4-43.8175.5-74.6-179.9-132.4963.3112A986 A2113 S2114 C2115 N2120 V2121A986-R2117 PolarHBondContact O-NE 3.37Å; A986-R2117 PolarHBondContact O-NH2 3.46Å; A2113-R2117 VanDerWaalsContact C-NH1 3.3Å; A2113-R2117 VanDerWaalsContact CB-NH2 3.25Å; A2113-R2117 WeakPolarHBondContact O-CG 2.89Å; A2113-R2117 VanDerWaalsContact O-CZ 3.31Å; A2113-R2117 PolarHBondContact O-N 3.19Å; A2113-R2117 VanDerWaalsContact O-N 3.09Å; A2113-R2117 PolarHBondContact O-NH1 2.91Å; S2114-R2117 PolarHBondContact O-N 3.28Å; S2114-R2117 PolarHBondContact OG-NH1 3.22Å; C2115-R2117 PolarHBondContact O-N 2.99Å; R2117-N2120 PolarHBondContact O-N 3.41Å; R2117-V2121 PolarHBondContact O-N 2.74Å
2118V88.7Confident81.7Confident2 Ų238.6 Ų38.61%0.01220%0.197CC..Hα-helixtrans-61.2-45.3174.9172.20000110.6L1014 V1017 L1018 S2114 C2115 N2120 V2121 V2122 L2150L1014-V2118 HydrophobicContact CB-CG1 4.02Å; L1014-V2118 HydrophobicContact CD2-CB 4.43Å; L1014-V2118 HydrophobicContact CD2-CG1 4.16Å; L1014-V2118 HydrophobicContact CD2-CG2 4.02Å; V1017-V2118 HydrophobicContact CG1-CG2 4.29Å; L1018-V2118 HydrophobicContact CD1-CG1 3.98Å; L1018-V2118 HydrophobicContact CD2-CB 4.26Å; L1018-V2118 HydrophobicContact CD2-CG1 4.34Å; L1018-V2118 HydrophobicContact CD2-CG2 4.42Å; L1018-V2118 HydrophobicContact CG-CB 4.36Å; L1018-V2118 HydrophobicContact CG-CG1 4.1Å; L1018-V2118 HydrophobicContact CG-CG2 4.24Å; S2114-V2118 PolarHBondContact O-N 3.05Å; C2115-V2118 PolarHBondContact O-N 2.97Å; V2118-N2120 VanDerWaalsContact C-N 3.33Å; V2118-N2120 PolarHBondContact O-N 2.77Å; V2118-V2121 PolarHBondContact O-N 3.38Å; V2118-V2122 HydrophobicContact CG1-CG2 4.24Å; V2118-V2122 WeakPolarHBondContact O-CB 3.29Å; V2118-V2122 VanDerWaalsContact O-CG2 3.31Å; V2118-V2122 WeakPolarHBondContact O-CG2 3.47Å; V2118-V2122 PolarHBondContact O-N 3.03Å; V2118-L2150 HydrophobicContact CG1-CD1 4.47Å; V2118-L2150 HydrophobicContact CG1-CD2 4.36Å
2119L88.7Confident82.7Confident7 Ų736.2 Ų36.24%0.03718%0.181CC..Hα-helixtrans-57.5-42.5173.4176.956000112.3C2115 V2122 R2123 L2156 D2160 V2164 L2167C2115-L2119 WeakPolarHBondContact O-CB 2.99Å; C2115-L2119 PolarHBondContact O-N 3.46Å; L2119-V2122 PolarHBondContact O-N 2.55Å; L2119-R2123 WeakPolarHBondContact O-CB 3.3Å; L2119-R2123 PolarHBondContact O-N 3.12Å; L2119-L2156 HydrophobicContact CD2-CD2 4.29Å; L2119-D2160 HydrophobicContact CD2-CB 4.05Å; L2119-V2164 HydrophobicContact CD1-CG2 3.84Å; L2119-V2164 HydrophobicContact CD2-CG2 4.03Å; L2119-L2167 HydrophobicContact CD1-CD1 4.06Å
2120N86.8Confident83.9Confident87 Ų8735 Ų3547%0.46518%0.177SC..Hα-helixtrans-66-39.3177.6-79.9-54.1000112.9L2116 R2117 V2118 H2124L2116-N2120 WeakPolarHBondContact O-CB 3.3Å; L2116-N2120 PolarHBondContact O-N 2.97Å; L2116-N2120 PolarHBondContact O-ND2 3.12Å; R2117-N2120 PolarHBondContact O-N 3.41Å; V2118-N2120 VanDerWaalsContact C-N 3.33Å; V2118-N2120 PolarHBondContact O-N 2.77Å; N2120-H2124 VanDerWaalsContact O-CB 3.25Å; N2120-H2124 WeakPolarHBondContact O-CB 3.22Å; N2120-H2124 PolarHBondContact O-N 3.44Å
2121V91Very high84.7Confident1 Ų134.7 Ų34.71%0.00618%0.175CC..Hα-helixtrans-63.9-49.1173.7172.90000110.8L983 L989 L994 L1014 R2117 V2118 H2124 W2125L983-V2121 HydrophobicContact CD1-CG1 4.28Å; L983-V2121 HydrophobicContact CD1-CG2 4.38Å; L983-V2121 HydrophobicContact CD2-CG1 4.27Å; L983-V2121 HydrophobicContact CG-CG1 4.25Å; L983-V2121 HydrophobicContact CG-CG2 4.39Å; L989-V2121 HydrophobicContact CD2-CG2 3.62Å; L994-V2121 HydrophobicContact CD1-CG1 4.19Å; L994-V2121 HydrophobicContact CD1-CG2 4.29Å; L1014-V2121 HydrophobicContact CD1-CG1 4.17Å; L1014-V2121 HydrophobicContact CD2-CB 4.25Å; L1014-V2121 HydrophobicContact CD2-CG1 4.05Å; R2117-V2121 PolarHBondContact O-N 2.74Å; V2118-V2121 PolarHBondContact O-N 3.38Å; V2121-H2124 PolarHBondContact O-N 3.36Å; V2121-W2125 WeakPolarHBondContact O-CB 3.49Å; V2121-W2125 PolarHBondContact O-N 3.33Å
2122V92.9Very high85.5Confident0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-60-49.9179166.60000111.4L1014 V2118 L2119 H2124 W2125 I2126 M2143 L2146 L2147 L2150L1014-V2122 HydrophobicContact CD1-CG2 4.16Å; V2118-V2122 HydrophobicContact CG1-CG2 4.24Å; V2118-V2122 WeakPolarHBondContact O-CB 3.29Å; V2118-V2122 VanDerWaalsContact O-CG2 3.31Å; V2118-V2122 WeakPolarHBondContact O-CG2 3.47Å; V2118-V2122 PolarHBondContact O-N 3.03Å; L2119-V2122 PolarHBondContact O-N 2.55Å; V2122-H2124 VanDerWaalsContact C-N 3.33Å; V2122-H2124 PolarHBondContact O-N 2.98Å; V2122-W2125 PolarHBondContact O-N 3.42Å; V2122-I2126 HydrophobicContact CG1-CD1 3.57Å; V2122-I2126 HydrophobicContact CG1-CG1 4.49Å; V2122-I2126 WeakPolarHBondContact O-CG1 3.47Å; V2122-I2126 PolarHBondContact O-N 3.45Å; V2122-M2143 HydrophobicContact CB-SD 4.41Å; V2122-M2143 HydrophobicContact CG1-SD 3.68Å; V2122-M2143 HydrophobicContact CG2-CE 4.49Å; V2122-M2143 HydrophobicContact CG2-SD 4.04Å; V2122-L2146 HydrophobicContact CG2-CD2 3.58Å; V2122-L2146 HydrophobicContact CG2-CG 4.39Å; V2122-L2147 HydrophobicContact CG1-CD2 3.71Å; V2122-L2147 HydrophobicContact CG1-CG 4.38Å; V2122-L2150 HydrophobicContact CG2-CD1 4.49Å
2123R91Very high86.2Confident120 Ų12033 Ų3345%0.45316%0.163SC..Hα-helixtrans-56-46.5175.9-179.6178.7-178.2-1682.1111.7L2119 T2127 L2167L2119-R2123 WeakPolarHBondContact O-CB 3.3Å; L2119-R2123 PolarHBondContact O-N 3.12Å; R2123-T2127 WeakPolarHBondContact O-CB 3.31Å; R2123-T2127 VanDerWaalsContact O-CG2 3.31Å; R2123-T2127 WeakPolarHBondContact O-CG2 3.42Å; R2123-T2127 PolarHBondContact O-N 3.14Å; R2123-T2127 PolarHBondContact O-OG1 3.13Å; R2123-L2167 HydrophobicContact CB-CD1 3.76Å; R2123-L2167 HydrophobicContact CG-CD1 4.02Å; R2123-L2167 HydrophobicContact CG-CD2 4.29Å
2124H90.3Very high86.7Confident31 Ų3135.9 Ų35.914%0.14417%0.171CC..Hα-helixtrans-68.3-38.5-179.8-171.890.6000111.8I991 L994 N995 N2120 V2121 V2122 K2128I991-H2124 VanDerWaalsContact CD1-CE1 3.41Å; I991-H2124 WeakPolarHBondContact CD1-CE1 3.39Å; L994-H2124 HydrophobicContact CD2-CB 3.87Å; N995-H2124 PolarHBondContact OD1-CE1 3.27Å; N995-H2124 PolarHBondContact OD1-NE2 3.22Å; N2120-H2124 VanDerWaalsContact O-CB 3.25Å; N2120-H2124 WeakPolarHBondContact O-CB 3.22Å; N2120-H2124 PolarHBondContact O-N 3.44Å; V2121-H2124 PolarHBondContact O-N 3.36Å; V2122-H2124 VanDerWaalsContact C-N 3.33Å; V2122-H2124 PolarHBondContact O-N 2.98Å; H2124-K2128 VanDerWaalsContact O-CB 3.27Å; H2124-K2128 WeakPolarHBondContact O-CB 3.46Å; H2124-K2128 PolarHBondContact O-N 2.72Å
2125W93.4Very high86.7Confident0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-61.8-54.7176.2-163.8-3.5000111.2L998 Y1001 V1010 I1011 V2121 V2122 T2127 K2128 F2129 D2132 F2133 L2139 M2143L998-W2125 HydrophobicContact CD1-CB 3.9Å; L998-W2125 HydrophobicContact CD1-CG 4.07Å; L998-W2125 HydrophobicContact CD2-CB 4.34Å; L998-W2125 HydrophobicContact CD2-CD2 3.66Å; L998-W2125 HydrophobicContact CD2-CE3 4.13Å; L998-W2125 HydrophobicContact CD2-CG 3.75Å; Y1001-W2125 AromaticContact CE1-CZ2 3.83Å; Y1001-W2125 HydrophobicContact CE1-CZ2 3.83Å; Y1001-W2125 AromaticContact CZ-CZ2 3.96Å; V1010-W2125 HydrophobicContact CB-CH2 3.9Å; V1010-W2125 HydrophobicContact CB-CZ3 3.97Å; V1010-W2125 HydrophobicContact CG1-CE3 4.41Å; V1010-W2125 HydrophobicContact CG1-CH2 4.03Å; V1010-W2125 HydrophobicContact CG1-CZ3 3.64Å; I1011-W2125 HydrophobicContact CG1-CH2 4.39Å; I1011-W2125 HydrophobicContact CG1-CZ3 4.06Å; V2121-W2125 WeakPolarHBondContact O-CB 3.49Å; V2121-W2125 PolarHBondContact O-N 3.33Å; V2122-W2125 PolarHBondContact O-N 3.42Å; W2125-T2127 VanDerWaalsContact C-N 3.35Å; W2125-T2127 PolarHBondContact O-N 3.22Å; W2125-K2128 PolarHBondContact O-N 2.89Å; W2125-F2129 CarbonylContact O-C 3.58Å; W2125-F2129 PolarHBondContact O-N 3.38Å; W2125-D2132 PolarHBondContact NE1-OD2 3.08Å; W2125-F2133 HydrophobicContact CB-CZ 4.44Å; W2125-F2133 AromaticContact CD1-CE2 3.85Å; W2125-F2133 AromaticContact CD1-CZ 3.71Å; W2125-F2133 AromaticContact CD2-CZ 3.83Å; W2125-F2133 HydrophobicContact CD2-CZ 3.83Å; W2125-F2133 AromaticContact CE2-CZ 3.87Å; W2125-F2133 HydrophobicContact CG-CE2 4.23Å; W2125-F2133 AromaticContact CG-CZ 3.76Å; W2125-F2133 HydrophobicContact CG-CZ 3.76Å; W2125-F2133 AromaticContact NE1-CZ 3.79Å; W2125-L2139 HydrophobicContact CH2-CD1 4.08Å; W2125-L2139 HydrophobicContact CH2-CD2 4.47Å; W2125-L2139 HydrophobicContact CZ2-CD1 4.42Å; W2125-L2139 HydrophobicContact CZ2-CD2 3.99Å; W2125-M2143 HydrophobicContact CD2-CE 4.11Å; W2125-M2143 HydrophobicContact CE3-CE 3.42Å; W2125-M2143 VanDerWaalsContact CE3-CE 3.42Å; W2125-M2143 HydrophobicContact CH2-CE 4.47Å; W2125-M2143 HydrophobicContact CZ3-CE 3.63Å
2126I91.4Very high86.9Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-58.9-43.2179.3-64.3163.3000111.6V2122 F2133 M2143 L2147 L2167 M2171 L2176V2122-I2126 HydrophobicContact CG1-CD1 3.57Å; V2122-I2126 HydrophobicContact CG1-CG1 4.49Å; V2122-I2126 WeakPolarHBondContact O-CG1 3.47Å; V2122-I2126 PolarHBondContact O-N 3.45Å; I2126-F2133 HydrophobicContact CG1-CE2 4.15Å; I2126-F2133 HydrophobicContact CG1-CZ 4.18Å; I2126-M2143 HydrophobicContact CD1-CG 4.21Å; I2126-M2143 HydrophobicContact CD1-SD 4.4Å; I2126-M2143 HydrophobicContact CG1-CG 4.38Å; I2126-L2147 HydrophobicContact CD1-CD1 4.03Å; I2126-L2147 HydrophobicContact CD1-CD2 4.4Å; I2126-L2167 HydrophobicContact CB-CD2 4.41Å; I2126-L2167 HydrophobicContact CD1-CB 4.4Å; I2126-L2167 HydrophobicContact CD1-CD2 4.41Å; I2126-L2167 HydrophobicContact CG2-CD2 4.17Å; I2126-M2171 HydrophobicContact CD1-CG 4.23Å; I2126-M2171 HydrophobicContact CD1-SD 3.47Å; I2126-M2171 WeakPolarHBondContact CD1-SD 3.46Å; I2126-M2171 HydrophobicContact CG1-CG 4.43Å; I2126-M2171 HydrophobicContact CG1-SD 3.74Å; I2126-M2171 HydrophobicContact CG2-CG 3.93Å; I2126-M2171 HydrophobicContact CG2-SD 4.35Å; I2126-L2176 HydrophobicContact CG2-CD2 3.59Å
2127T87Confident87.2Confident60 Ų6042.1 Ų42.137%0.36821%0.213SC..Hα-helixtrans-88-8.4-173.461.20000115.4R2123 W2125 L2167R2123-T2127 WeakPolarHBondContact O-CB 3.31Å; R2123-T2127 VanDerWaalsContact O-CG2 3.31Å; R2123-T2127 WeakPolarHBondContact O-CG2 3.42Å; R2123-T2127 PolarHBondContact O-N 3.14Å; R2123-T2127 PolarHBondContact O-OG1 3.13Å; W2125-T2127 VanDerWaalsContact C-N 3.35Å; W2125-T2127 PolarHBondContact O-N 3.22Å; T2127-L2167 HydrophobicContact CG2-CD2 4.04Å
2128K85Confident87.8Confident133 Ų13340.2 Ų40.258%0.57821%0.208SC*.Hα-helixtrans-120.6-19.9178.2-61.3-61176.2-167.30115H2124 W2125 P2130H2124-K2128 VanDerWaalsContact O-CB 3.27Å; H2124-K2128 WeakPolarHBondContact O-CB 3.46Å; H2124-K2128 PolarHBondContact O-N 2.72Å; W2125-K2128 PolarHBondContact O-N 2.89Å; K2128-P2130 VanDerWaalsContact C-CD 3.47Å
2129F88.7Confident88.1Confident19 Ų1940.1 Ų40.18%0.08321%0.207CC..  trans-134.257.3176.1-46-85.7000110.4L998 L999 W2125 D2131 D2132L998-F2129 HydrophobicContact CB-CD2 3.78Å; L998-F2129 HydrophobicContact CB-CE2 3.52Å; L998-F2129 HydrophobicContact CB-CZ 4.09Å; L998-F2129 HydrophobicContact CD1-CD2 4.05Å; L998-F2129 HydrophobicContact CD1-CE2 3.87Å; L998-F2129 HydrophobicContact CG-CE2 4.37Å; L999-F2129 HydrophobicContact CB-CE1 4.04Å; L999-F2129 HydrophobicContact CB-CZ 4.41Å; L999-F2129 HydrophobicContact CD1-CE1 4.12Å; W2125-F2129 CarbonylContact O-C 3.58Å; W2125-F2129 PolarHBondContact O-N 3.38Å; F2129-D2131 PolarHBondContact O-N 3.01Å; F2129-D2132 VanDerWaalsContact O-CB 3.3Å; F2129-D2132 WeakPolarHBondContact O-CB 3.4Å; F2129-D2132 PolarHBondContact O-N 3.21Å; F2129-D2132 VanDerWaalsContact O-N 3.15Å
2130P85.7Confident88.3Confident25 Ų2541.8 Ų41.816%0.16221%0.214CC..THydrogen-bonded Turntrans-61.1-32.5-179.226.5-35.1000112.5K2128 D2132 F2133 L2176K2128-P2130 VanDerWaalsContact C-CD 3.47Å; P2130-D2132 PolarHBondContact O-N 3.14Å; P2130-F2133 PolarHBondContact O-N 2.98Å; P2130-L2176 HydrophobicContact CB-CB 3.93Å; P2130-L2176 HydrophobicContact CB-CD1 4.48Å; P2130-L2176 HydrophobicContact CB-CD2 4.46Å
2131D81.5Confident88.6Confident36 Ų3642.8 Ų42.819%0.19321%0.211CC..Hα-helixtrans-48.2-32.1173.6-64.111.2000112.9F2129 F2133 E2134 S2135 R2180F2129-D2131 PolarHBondContact O-N 3.01Å; D2131-F2133 PolarHBondContact O-N 2.94Å; D2131-E2134 PolarHBondContact O-N 2.82Å; D2131-S2135 PolarHBondContact O-N 3.25Å; D2131-S2135 PolarHBondContact O-OG 3.14Å; D2131-S2135 VanDerWaalsContact O-OG 3.04Å; D2131-R2180 IonicContact OD1-NH2 2.64Å; D2131-R2180 PolarHBondContact OD1-NH2 3.03Å
2132D87.2Confident88.8Confident8 Ų845.5 Ų45.54%0.04322%0.224CC..Hα-helixtrans-59.8-34.5179.9-69.114000112.6R1002 W2125 F2129 P2130 S2135 D2136 L2139R1002-D2132 IonicContact CZ-OD1 3.7Å; R1002-D2132 VanDerWaalsContact CZ-OD1 3.27Å; R1002-D2132 IonicContact CZ-OD2 3.21Å; R1002-D2132 IonicContact NH1-OD1 2.75Å; R1002-D2132 PolarHBondContact NH1-OD1 3.42Å; R1002-D2132 IonicContact NH1-OD2 3.19Å; R1002-D2132 PolarHBondContact NH1-OD2 3.22Å; R1002-D2132 IonicContact NH2-OD1 3.02Å; R1002-D2132 PolarHBondContact NH2-OD1 3.46Å; R1002-D2132 IonicContact NH2-OD2 2.67Å; W2125-D2132 PolarHBondContact NE1-OD2 3.08Å; F2129-D2132 VanDerWaalsContact O-CB 3.3Å; F2129-D2132 WeakPolarHBondContact O-CB 3.4Å; F2129-D2132 PolarHBondContact O-N 3.21Å; F2129-D2132 VanDerWaalsContact O-N 3.15Å; P2130-D2132 PolarHBondContact O-N 3.14Å; D2132-S2135 WeakPolarHBondContact CA-OG 3.32Å; D2132-S2135 PolarHBondContact O-OG 3.23Å; D2132-D2136 PolarHBondContact O-N 2.94Å; D2132-L2139 HydrophobicContact CB-CD2 4.4Å
2133F89.7Confident88.8Confident5 Ų545.5 Ų45.52%0.02222%0.224CC..Hα-helixtrans-92.6-11.1-176.3-51-78.6000112.7W2125 I2126 P2130 D2131 L2139 K2140 M2143 M2171W2125-F2133 HydrophobicContact CB-CZ 4.44Å; W2125-F2133 AromaticContact CD1-CE2 3.85Å; W2125-F2133 AromaticContact CD1-CZ 3.71Å; W2125-F2133 AromaticContact CD2-CZ 3.83Å; W2125-F2133 HydrophobicContact CD2-CZ 3.83Å; W2125-F2133 AromaticContact CE2-CZ 3.87Å; W2125-F2133 HydrophobicContact CG-CE2 4.23Å; W2125-F2133 AromaticContact CG-CZ 3.76Å; W2125-F2133 HydrophobicContact CG-CZ 3.76Å; W2125-F2133 AromaticContact NE1-CZ 3.79Å; I2126-F2133 HydrophobicContact CG1-CE2 4.15Å; I2126-F2133 HydrophobicContact CG1-CZ 4.18Å; P2130-F2133 PolarHBondContact O-N 2.98Å; D2131-F2133 PolarHBondContact O-N 2.94Å; F2133-L2139 HydrophobicContact CD1-CD2 4.36Å; F2133-L2139 HydrophobicContact CD1-CG 4.16Å; F2133-L2139 HydrophobicContact CE1-CD2 4.27Å; F2133-L2139 HydrophobicContact CE1-CG 4.11Å; F2133-K2140 HydrophobicContact CB-CB 4.07Å; F2133-K2140 HydrophobicContact CB-CG 4.17Å; F2133-K2140 WeakPolarHBondContact O-CB 3.22Å; F2133-K2140 WeakPolarHBondContact O-CD 3.37Å; F2133-M2143 HydrophobicContact CD1-CB 4.21Å; F2133-M2143 HydrophobicContact CD1-CG 4.36Å; F2133-M2143 HydrophobicContact CE1-CB 3.91Å; F2133-M2143 HydrophobicContact CE1-CE 3.72Å; F2133-M2143 HydrophobicContact CE1-CG 3.79Å; F2133-M2143 HydrophobicContact CZ-CE 3.89Å; F2133-M2143 HydrophobicContact CZ-CG 4.39Å; F2133-M2171 HydrophobicContact CB-CE 4.14Å; F2133-M2171 HydrophobicContact CD1-CE 3.79Å; F2133-M2171 HydrophobicContact CE1-CE 4.38Å; F2133-M2171 HydrophobicContact CG-CE 3.87Å
2134E80.1Confident88.9Confident94 Ų9441.6 Ų41.644%0.43921%0.212SC..Hα-helixtrans-85.8-38.4166.7-62.3178.713100111.4D2131 R2180D2131-E2134 PolarHBondContact O-N 2.82Å; E2134-R2180 IonicContact OE1-CZ 2.87Å; E2134-R2180 IonicContact OE1-NH1 2.71Å; E2134-R2180 PolarHBondContact OE1-NH1 2.95Å; E2134-R2180 IonicContact OE1-NH2 3.81Å; E2134-R2180 IonicContact OE2-CZ 2.81Å; E2134-R2180 IonicContact OE2-NH1 2.76Å; E2134-R2180 PolarHBondContact OE2-NH1 2.82Å; E2134-R2180 IonicContact OE2-NH2 2.63Å; E2134-R2180 PolarHBondContact OE2-NH2 2.94Å
2135S77.4Confident89.1Confident49 Ų4943.3 Ų43.334%0.34323%0.225SC..Hα-helixtrans-70.5-28.9179.355.80000113.7D2131 D2132 E2224D2131-S2135 PolarHBondContact O-N 3.25Å; D2131-S2135 PolarHBondContact O-OG 3.14Å; D2131-S2135 VanDerWaalsContact O-OG 3.04Å; D2132-S2135 WeakPolarHBondContact CA-OG 3.32Å; D2132-S2135 PolarHBondContact O-OG 3.23Å; S2135-E2224 PolarHBondContact OG-OE1 3.12Å
2136D87.3Confident89Confident52 Ų5243.3 Ų43.328%0.27823%0.225SC..  trans-131.299.9179.3-175.2-15.3000110.7D2132 V2138 L2139 K2140D2132-D2136 PolarHBondContact O-N 2.94Å; D2136-V2138 PolarHBondContact O-N 3.43Å; D2136-V2138 WeakPolarHBondContact OD1-CA 3.34Å; D2136-V2138 VanDerWaalsContact OD1-CB 3.28Å; D2136-V2138 WeakPolarHBondContact OD1-CB 3.34Å; D2136-V2138 PolarHBondContact OD1-N 2.84Å; D2136-L2139 HydrophobicContact CB-CB 3.69Å; D2136-L2139 HydrophobicContact CB-CD2 4.49Å; D2136-L2139 VanDerWaalsContact CG-CB 3.44Å; D2136-L2139 WeakPolarHBondContact O-CB 3.27Å; D2136-L2139 PolarHBondContact O-N 3.24Å; D2136-L2139 PolarHBondContact OD1-N 3.07Å; D2136-K2140 PolarHBondContact O-N 3.47Å
2137P87.4Confident89.1Confident95 Ų9543.3 Ų43.362%0.61723%0.225SC*.Hα-helixtrans-71-18.1178.429.4-35000113R2141P2137-R2141 WeakPolarHBondContact O-CB 3.45Å; P2137-R2141 PolarHBondContact O-N 2.87Å; P2137-R2141 VanDerWaalsContact O-N 3.09Å
2138V93.5Very high89.2Confident20 Ų2044.3 Ų44.312%0.12123%0.228CC..Hα-helixtrans-73.9-44.6172.8-169.20000109.1L1008 L1129 D2136 K2140 R2141 E2142L1008-V2138 HydrophobicContact CD2-CG1 4.35Å; L1129-V2138 HydrophobicContact CD2-CG2 4Å; D2136-V2138 PolarHBondContact O-N 3.43Å; D2136-V2138 WeakPolarHBondContact OD1-CA 3.34Å; D2136-V2138 VanDerWaalsContact OD1-CB 3.28Å; D2136-V2138 WeakPolarHBondContact OD1-CB 3.34Å; D2136-V2138 PolarHBondContact OD1-N 2.84Å; V2138-K2140 VanDerWaalsContact C-N 3.33Å; V2138-K2140 PolarHBondContact O-N 3.04Å; V2138-R2141 PolarHBondContact O-N 3.42Å; V2138-E2142 WeakPolarHBondContact O-CG 3.41Å; V2138-E2142 PolarHBondContact O-N 3.44Å
2139L93.4Very high89.4Confident0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-58.8-43.4172.8-173.266.7000111.8L1008 I1011 W2125 D2132 F2133 D2136 R2141 E2142 M2143L1008-L2139 HydrophobicContact CD2-CD1 4.43Å; I1011-L2139 HydrophobicContact CD1-CD1 3.58Å; I1011-L2139 HydrophobicContact CD1-CG 4.48Å; I1011-L2139 HydrophobicContact CG1-CD1 4.24Å; W2125-L2139 HydrophobicContact CH2-CD1 4.08Å; W2125-L2139 HydrophobicContact CH2-CD2 4.47Å; W2125-L2139 HydrophobicContact CZ2-CD1 4.42Å; W2125-L2139 HydrophobicContact CZ2-CD2 3.99Å; D2132-L2139 HydrophobicContact CB-CD2 4.4Å; F2133-L2139 HydrophobicContact CD1-CD2 4.36Å; F2133-L2139 HydrophobicContact CD1-CG 4.16Å; F2133-L2139 HydrophobicContact CE1-CD2 4.27Å; F2133-L2139 HydrophobicContact CE1-CG 4.11Å; D2136-L2139 HydrophobicContact CB-CB 3.69Å; D2136-L2139 HydrophobicContact CB-CD2 4.49Å; D2136-L2139 VanDerWaalsContact CG-CB 3.44Å; D2136-L2139 WeakPolarHBondContact O-CB 3.27Å; D2136-L2139 PolarHBondContact O-N 3.24Å; D2136-L2139 PolarHBondContact OD1-N 3.07Å; L2139-R2141 PolarHBondContact O-N 3.04Å; L2139-E2142 PolarHBondContact O-N 2.56Å; L2139-M2143 VanDerWaalsContact O-CB 3.26Å; L2139-M2143 WeakPolarHBondContact O-CB 3.48Å; L2139-M2143 PolarHBondContact O-N 2.75Å
2140K93.2Very high89.3Confident43 Ų4339.7 Ų39.719%0.18721%0.213CC..Hα-helixtrans-57.5-46.9173.3-171.1178177.9-179.30111.7F2133 D2136 V2138 M2143 L2144 M2171 D2174F2133-K2140 HydrophobicContact CB-CB 4.07Å; F2133-K2140 HydrophobicContact CB-CG 4.17Å; F2133-K2140 WeakPolarHBondContact O-CB 3.22Å; F2133-K2140 WeakPolarHBondContact O-CD 3.37Å; D2136-K2140 PolarHBondContact O-N 3.47Å; V2138-K2140 VanDerWaalsContact C-N 3.33Å; V2138-K2140 PolarHBondContact O-N 3.04Å; K2140-M2143 PolarHBondContact O-N 3.39Å; K2140-L2144 WeakPolarHBondContact O-CG 3.4Å; K2140-L2144 PolarHBondContact O-N 2.66Å; K2140-M2171 WeakPolarHBondContact CE-O 3.41Å; K2140-M2171 HydrophobicContact CG-CE 3.89Å; K2140-M2171 PolarHBondContact NZ-O 3.03Å; K2140-D2174 VanDerWaalsContact NZ-CG 3.33Å; K2140-D2174 IonicContact NZ-OD1 2.71Å; K2140-D2174 PolarHBondContact NZ-OD1 3.14Å; K2140-D2174 IonicContact NZ-OD2 3.58Å; K2140-D2174 PolarHBondContact NZ-OD2 3.1Å
2141R93.4Very high89.3Confident107 Ų10740.2 Ų40.240%0.40421%0.214SC..Hα-helixtrans-63.4-47.3-179.9-170.8-177.855.660.56.3112.2N1130 P2137 V2138 L2139 M2143 L2144 T2145N1130-R2141 PolarHBondContact ND2-NH2 3Å; P2137-R2141 WeakPolarHBondContact O-CB 3.45Å; P2137-R2141 PolarHBondContact O-N 2.87Å; P2137-R2141 VanDerWaalsContact O-N 3.09Å; V2138-R2141 PolarHBondContact O-N 3.42Å; L2139-R2141 PolarHBondContact O-N 3.04Å; R2141-M2143 VanDerWaalsContact C-N 3.31Å; R2141-M2143 PolarHBondContact O-N 3.36Å; R2141-L2144 PolarHBondContact O-N 2.63Å; R2141-T2145 PolarHBondContact O-N 2.86Å; R2141-T2145 VanDerWaalsContact O-N 3.12Å; R2141-T2145 PolarHBondContact O-OG1 3.19Å
2142E94.6Very high89.4Confident58 Ų5843.7 Ų43.727%0.27124%0.236SC..Hα-helixtrans-67.8-30.4178-62.5-61.715700112.4L1008 I1011 V2138 L2139 T2145 L2146L1008-E2142 HydrophobicContact CD2-CB 4.22Å; L1008-E2142 HydrophobicContact CD2-CG 3.77Å; I1011-E2142 HydrophobicContact CD1-CB 4Å; I1011-E2142 HydrophobicContact CG2-CB 4.39Å; V2138-E2142 WeakPolarHBondContact O-CG 3.41Å; V2138-E2142 PolarHBondContact O-N 3.44Å; L2139-E2142 PolarHBondContact O-N 2.56Å; E2142-T2145 PolarHBondContact O-N 3.35Å; E2142-L2146 PolarHBondContact O-N 2.8Å
2143M94.4Very high89Confident0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-68.8-37.4173.3-175.560.574.800112.1I1011 V2122 W2125 I2126 F2133 L2139 K2140 R2141 L2146 L2147 M2171I1011-M2143 HydrophobicContact CD1-CB 4Å; I1011-M2143 HydrophobicContact CD1-CE 3.94Å; I1011-M2143 HydrophobicContact CG1-CE 4.01Å; V2122-M2143 HydrophobicContact CB-SD 4.41Å; V2122-M2143 HydrophobicContact CG1-SD 3.68Å; V2122-M2143 HydrophobicContact CG2-CE 4.49Å; V2122-M2143 HydrophobicContact CG2-SD 4.04Å; W2125-M2143 HydrophobicContact CD2-CE 4.11Å; W2125-M2143 HydrophobicContact CE3-CE 3.42Å; W2125-M2143 VanDerWaalsContact CE3-CE 3.42Å; W2125-M2143 HydrophobicContact CH2-CE 4.47Å; W2125-M2143 HydrophobicContact CZ3-CE 3.63Å; I2126-M2143 HydrophobicContact CD1-CG 4.21Å; I2126-M2143 HydrophobicContact CD1-SD 4.4Å; I2126-M2143 HydrophobicContact CG1-CG 4.38Å; F2133-M2143 HydrophobicContact CD1-CB 4.21Å; F2133-M2143 HydrophobicContact CD1-CG 4.36Å; F2133-M2143 HydrophobicContact CE1-CB 3.91Å; F2133-M2143 HydrophobicContact CE1-CE 3.72Å; F2133-M2143 HydrophobicContact CE1-CG 3.79Å; F2133-M2143 HydrophobicContact CZ-CE 3.89Å; F2133-M2143 HydrophobicContact CZ-CG 4.39Å; L2139-M2143 VanDerWaalsContact O-CB 3.26Å; L2139-M2143 WeakPolarHBondContact O-CB 3.48Å; L2139-M2143 PolarHBondContact O-N 2.75Å; K2140-M2143 PolarHBondContact O-N 3.39Å; R2141-M2143 VanDerWaalsContact C-N 3.31Å; R2141-M2143 PolarHBondContact O-N 3.36Å; M2143-L2146 WeakPolarHBondContact O-CB 3.32Å; M2143-L2146 PolarHBondContact O-N 2.89Å; M2143-L2146 HydrophobicContact SD-CD2 3.92Å; M2143-L2147 WeakPolarHBondContact O-CG 3.38Å; M2143-L2147 PolarHBondContact O-N 2.88Å; M2143-M2171 HydrophobicContact CB-CE 3.98Å; M2143-M2171 HydrophobicContact CB-SD 4.41Å; M2143-M2171 HydrophobicContact CG-CE 3.77Å; M2143-M2171 HydrophobicContact CG-SD 3.66Å
2144L92.9Very high88.3Confident38 Ų3849.6 Ų49.620%0.19928%0.276CS..Hα-helixtrans-62-44.7171-68.9169000110.9K2140 R2141 L2146 L2147 D2148 L2168 M2171 I2172K2140-L2144 WeakPolarHBondContact O-CG 3.4Å; K2140-L2144 PolarHBondContact O-N 2.66Å; R2141-L2144 PolarHBondContact O-N 2.63Å; L2144-L2146 VanDerWaalsContact C-N 3.31Å; L2144-L2146 PolarHBondContact O-N 3.14Å; L2144-L2147 WeakPolarHBondContact O-CB 3.25Å; L2144-L2147 PolarHBondContact O-N 3.34Å; L2144-L2147 VanDerWaalsContact O-N 3.07Å; L2144-D2148 PolarHBondContact O-N 2.97Å; L2144-L2168 HydrophobicContact CD2-CD1 3.7Å; L2144-M2171 HydrophobicContact CD2-CB 3.69Å; L2144-M2171 HydrophobicContact CD2-SD 4.41Å; L2144-I2172 HydrophobicContact CD2-CD1 4.48Å; L2144-I2172 HydrophobicContact CD2-CG1 3.88Å
2145T93.3Very high88Confident67 Ų6748.5 Ų48.541%0.41127%0.271SS..Hα-helixtrans-60.9-37.1175-53.40000112.7R2141 E2142 T2149R2141-T2145 PolarHBondContact O-N 2.86Å; R2141-T2145 VanDerWaalsContact O-N 3.12Å; R2141-T2145 PolarHBondContact O-OG1 3.19Å; E2142-T2145 PolarHBondContact O-N 3.35Å; T2145-T2149 WeakPolarHBondContact O-CB 3.36Å; T2145-T2149 PolarHBondContact O-N 3.05Å; T2145-T2149 VanDerWaalsContact O-N 3.08Å; T2145-T2149 PolarHBondContact O-OG1 2.82Å
2146L92.6Very high87.9Confident1 Ų146.7 Ų46.71%0.00526%0.257CS..Hα-helixtrans-64.9-39.9172.1179.362.5000112I1011 L1014 N1015 L1018 V2122 E2142 M2143 L2144 T2149 L2150I1011-L2146 HydrophobicContact CG2-CD2 4.35Å; L1014-L2146 HydrophobicContact CB-CD2 4.35Å; L1014-L2146 HydrophobicContact CD1-CD2 4.26Å; N1015-L2146 WeakPolarHBondContact OD1-CD1 3.49Å; L1018-L2146 HydrophobicContact CD1-CD1 3.51Å; V2122-L2146 HydrophobicContact CG2-CD2 3.58Å; V2122-L2146 HydrophobicContact CG2-CG 4.39Å; E2142-L2146 PolarHBondContact O-N 2.8Å; M2143-L2146 WeakPolarHBondContact O-CB 3.32Å; M2143-L2146 PolarHBondContact O-N 2.89Å; M2143-L2146 HydrophobicContact SD-CD2 3.92Å; L2144-L2146 VanDerWaalsContact C-N 3.31Å; L2144-L2146 PolarHBondContact O-N 3.14Å; L2146-T2149 PolarHBondContact O-N 3.09Å; L2146-L2150 HydrophobicContact CG-CD1 4.33Å; L2146-L2150 WeakPolarHBondContact O-CG 3.42Å; L2146-L2150 PolarHBondContact O-N 2.77Å
2147L92.5Very high87.3Confident0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-66.9-42.5176.3-72168.7000112.4V2122 I2126 M2143 L2144 T2149 L2150 I2151 V2164 L2167 L2168 M2171V2122-L2147 HydrophobicContact CG1-CD2 3.71Å; V2122-L2147 HydrophobicContact CG1-CG 4.38Å; I2126-L2147 HydrophobicContact CD1-CD1 4.03Å; I2126-L2147 HydrophobicContact CD1-CD2 4.4Å; M2143-L2147 WeakPolarHBondContact O-CG 3.38Å; M2143-L2147 PolarHBondContact O-N 2.88Å; L2144-L2147 WeakPolarHBondContact O-CB 3.25Å; L2144-L2147 PolarHBondContact O-N 3.34Å; L2144-L2147 VanDerWaalsContact O-N 3.07Å; L2147-T2149 VanDerWaalsContact C-N 3.29Å; L2147-T2149 PolarHBondContact O-N 3.31Å; L2147-L2150 HydrophobicContact CD2-CD1 4.45Å; L2147-L2150 WeakPolarHBondContact O-CB 3.44Å; L2147-L2150 PolarHBondContact O-N 3.4Å; L2147-L2150 VanDerWaalsContact O-N 3.11Å; L2147-I2151 WeakPolarHBondContact O-CG1 3.34Å; L2147-I2151 PolarHBondContact O-N 3.43Å; L2147-V2164 HydrophobicContact CB-CG1 4.17Å; L2147-V2164 HydrophobicContact CD2-CG1 3.61Å; L2147-V2164 WeakPolarHBondContact O-CG1 3.27Å; L2147-L2167 HydrophobicContact CD1-CB 4.47Å; L2147-L2167 HydrophobicContact CD2-CB 4.15Å; L2147-L2168 HydrophobicContact CB-CD1 3.77Å; L2147-L2168 HydrophobicContact CD1-CB 4.45Å; L2147-L2168 HydrophobicContact CD1-CD1 4.18Å; L2147-M2171 HydrophobicContact CD1-CG 4.41Å; L2147-M2171 HydrophobicContact CD1-SD 3.6Å; L2147-M2171 VanDerWaalsContact CD1-SD 3.6Å
2148D89.7Confident86.8Confident81 Ų8147.7 Ų47.743%0.43326%0.26SS..Hα-helixtrans-62.4-37.9174.8-69.6-33.7000111.7L2144 I2151 T2152 L2168L2144-D2148 PolarHBondContact O-N 2.97Å; D2148-I2151 PolarHBondContact O-N 3.18Å; D2148-T2152 PolarHBondContact O-N 3.36Å; D2148-T2152 PolarHBondContact O-OG1 3.43Å; D2148-L2168 WeakPolarHBondContact OD1-CD2 3.42Å
2149T88.8Confident85.8Confident55 Ų5551.3 Ų51.334%0.33728%0.279SS..Hα-helixtrans-65.1-38.6172.9-54.60000111.5T2145 L2146 L2147 T2152 C2153T2145-T2149 WeakPolarHBondContact O-CB 3.36Å; T2145-T2149 PolarHBondContact O-N 3.05Å; T2145-T2149 VanDerWaalsContact O-N 3.08Å; T2145-T2149 PolarHBondContact O-OG1 2.82Å; L2146-T2149 PolarHBondContact O-N 3.09Å; L2147-T2149 VanDerWaalsContact C-N 3.29Å; L2147-T2149 PolarHBondContact O-N 3.31Å; T2149-T2152 WeakPolarHBondContact CA-OG1 3.41Å; T2149-T2152 PolarHBondContact O-N 3.48Å; T2149-T2152 PolarHBondContact O-OG1 2.84Å; T2149-T2152 VanDerWaalsContact O-OG1 3.1Å; T2149-C2153 PolarHBondContact O-N 3.27Å; T2149-C2153 PolarHBondContact O-SG 2.74Å
2150L87.9Confident85.2Confident0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-68.8-36.6175.1-77167.2000112.9L1018 V2118 V2122 L2146 L2147 T2152 C2153 V2164L1018-L2150 HydrophobicContact CD1-CD2 3.97Å; L1018-L2150 HydrophobicContact CD1-CG 4.26Å; L1018-L2150 HydrophobicContact CD2-CD2 3.71Å; L1018-L2150 HydrophobicContact CG-CD2 4.49Å; V2118-L2150 HydrophobicContact CG1-CD1 4.47Å; V2118-L2150 HydrophobicContact CG1-CD2 4.36Å; V2122-L2150 HydrophobicContact CG2-CD1 4.49Å; L2146-L2150 HydrophobicContact CG-CD1 4.33Å; L2146-L2150 WeakPolarHBondContact O-CG 3.42Å; L2146-L2150 PolarHBondContact O-N 2.77Å; L2147-L2150 HydrophobicContact CD2-CD1 4.45Å; L2147-L2150 WeakPolarHBondContact O-CB 3.44Å; L2147-L2150 PolarHBondContact O-N 3.4Å; L2147-L2150 VanDerWaalsContact O-N 3.11Å; L2150-T2152 VanDerWaalsContact C-N 3.3Å; L2150-T2152 PolarHBondContact O-N 2.87Å; L2150-C2153 WeakPolarHBondContact O-CB 3.18Å; L2150-C2153 PolarHBondContact O-N 3.03Å; L2150-V2164 HydrophobicContact CB-CG1 3.79Å; L2150-V2164 HydrophobicContact CB-CG2 4.3Å
2151I85.6Confident84.8Confident36 Ų3654 Ų5419%0.18529%0.294CS..Hα-helixtrans-63-40.1175-68.8167.4000110.7L2147 D2148 C2153 Q2161 V2164 L2168L2147-I2151 WeakPolarHBondContact O-CG1 3.34Å; L2147-I2151 PolarHBondContact O-N 3.43Å; D2148-I2151 PolarHBondContact O-N 3.18Å; I2151-C2153 VanDerWaalsContact C-N 3.31Å; I2151-C2153 PolarHBondContact O-N 3.12Å; I2151-Q2161 PolarHBondContact O-NE2 3.18Å; I2151-V2164 HydrophobicContact CD1-CG1 4.29Å; I2151-V2164 HydrophobicContact CG1-CB 3.76Å; I2151-V2164 HydrophobicContact CG1-CG1 3.61Å; I2151-L2168 HydrophobicContact CD1-CD2 3.78Å
2152T81.9Confident84.4Confident108 Ų10855.3 Ų55.366%0.66330%0.302SS*.THydrogen-bonded Turntrans-81.1-4.2-178.648.70000114.3D2148 T2149 L2150 P2154D2148-T2152 PolarHBondContact O-N 3.36Å; D2148-T2152 PolarHBondContact O-OG1 3.43Å; T2149-T2152 WeakPolarHBondContact CA-OG1 3.41Å; T2149-T2152 PolarHBondContact O-N 3.48Å; T2149-T2152 PolarHBondContact O-OG1 2.84Å; T2149-T2152 VanDerWaalsContact O-OG1 3.1Å; L2150-T2152 VanDerWaalsContact C-N 3.3Å; L2150-T2152 PolarHBondContact O-N 2.87Å; T2152-P2154 WeakPolarHBondContact O-CD 3.29Å
2153C80.5Confident84Confident23 Ų2354.2 Ų54.216%0.15530%0.299CS..  trans-68.1118.4176-79.40000112.1T2149 L2150 I2151 H2155 L2156T2149-C2153 PolarHBondContact O-N 3.27Å; T2149-C2153 PolarHBondContact O-SG 2.74Å; L2150-C2153 WeakPolarHBondContact O-CB 3.18Å; L2150-C2153 PolarHBondContact O-N 3.03Å; I2151-C2153 VanDerWaalsContact C-N 3.31Å; I2151-C2153 PolarHBondContact O-N 3.12Å; C2153-H2155 PolarHBondContact O-N 3.38Å; C2153-H2155 VanDerWaalsContact O-N 3.09Å; C2153-L2156 PolarHBondContact O-N 3.07Å
2154P73.6Confident83.7Confident115 Ų11554.2 Ų54.275%0.74730%0.299SS*.THydrogen-bonded Turntrans-73.3-0.9179.932.3-37.3000113.8T2152T2152-P2154 WeakPolarHBondContact O-CD 3.29Å
2155H74.7Confident83.4Confident71 Ų7155.6 Ų55.633%0.32931%0.307SS..THydrogen-bonded Turntrans-99.4-2.7-179.2-62.2-53.3000113.8A2111 T2112 C2153A2111-H2155 HydrophobicContact CB-CB 4.42Å; T2112-H2155 WeakPolarHBondContact CB-O 3.3Å; T2112-H2155 WeakPolarHBondContact CG2-O 3.24Å; T2112-H2155 PolarHBondContact OG1-O 2.72Å; C2153-H2155 PolarHBondContact O-N 3.38Å; C2153-H2155 VanDerWaalsContact O-N 3.09Å
2156L75.6Confident83.1Confident11 Ų1158.6 Ų58.66%0.05832%0.316CS..SBendtrans-84.9147.3172.2-117.573.6000110.8C2115 L2119 C2153 D2160 Q2161 V2164C2115-L2156 HydrophobicContact CB-CD1 3.77Å; C2115-L2156 WeakPolarHBondContact SG-CD1 3.44Å; L2119-L2156 HydrophobicContact CD2-CD2 4.29Å; C2153-L2156 PolarHBondContact O-N 3.07Å; L2156-D2160 HydrophobicContact CB-CB 4.34Å; L2156-D2160 HydrophobicContact CD2-CB 3.68Å; L2156-D2160 HydrophobicContact CG-CB 3.62Å; L2156-Q2161 HydrophobicContact CB-CG 3.98Å; L2156-Q2161 HydrophobicContact CD2-CG 4.07Å; L2156-V2164 HydrophobicContact CD2-CG2 3.48Å; L2156-V2164 VanDerWaalsContact CD2-CG2 3.48Å
2157M75.2Confident82.9Confident82 Ų8258.9 Ų58.940%0.40432%0.317SS..  trans-80.8157.3170.7-53.3-157.177.600110.9N2159 D2160 Q2161M2157-N2159 PolarHBondContact O-N 3.39Å; M2157-D2160 VanDerWaalsContact CB-OD2 3.25Å; M2157-D2160 WeakPolarHBondContact CB-OD2 3.24Å; M2157-D2160 PolarHBondContact N-OD2 2.88Å; M2157-D2160 WeakPolarHBondContact O-CB 3.29Å; M2157-D2160 PolarHBondContact O-N 3.25Å; M2157-Q2161 PolarHBondContact O-N 3.05Å
2158P75.4Confident82.6Confident86 Ų8659.8 Ų59.856%0.55832%0.322SS*.Hα-helixtrans-57.8-25.4-179.8-28.136.3000114.8K2162P2158-K2162 WeakPolarHBondContact O-CG 3Å; P2158-K2162 PolarHBondContact O-N 2.83Å
2159N73.6Confident82.4Confident96 Ų9661.5 Ų61.551%0.51333%0.331SS..Hα-helixtrans-76.8-33.9174.1-73.2-21.1000112.6M2157 K2162 V2163M2157-N2159 PolarHBondContact O-N 3.39Å; N2159-K2162 WeakPolarHBondContact O-CB 3.33Å; N2159-K2162 PolarHBondContact O-N 2.93Å; N2159-K2162 PolarHBondContact OD1-NZ 2.87Å; N2159-V2163 PolarHBondContact O-N 3.44Å
2160D81Confident82.1Confident38 Ų3861.8 Ų61.820%0.20333%0.328CS..Hα-helixtrans-68-41.7172.5-52.8-53.4000110.3L2116 L2119 L2156 M2157 K2162 V2163 V2164L2116-D2160 HydrophobicContact CD2-CB 4.37Å; L2119-D2160 HydrophobicContact CD2-CB 4.05Å; L2156-D2160 HydrophobicContact CB-CB 4.34Å; L2156-D2160 HydrophobicContact CD2-CB 3.68Å; L2156-D2160 HydrophobicContact CG-CB 3.62Å; M2157-D2160 VanDerWaalsContact CB-OD2 3.25Å; M2157-D2160 WeakPolarHBondContact CB-OD2 3.24Å; M2157-D2160 PolarHBondContact N-OD2 2.88Å; M2157-D2160 WeakPolarHBondContact O-CB 3.29Å; M2157-D2160 PolarHBondContact O-N 3.25Å; D2160-K2162 VanDerWaalsContact C-N 3.25Å; D2160-K2162 PolarHBondContact O-N 2.74Å; D2160-V2163 CarbonylContact O-C 3.57Å; D2160-V2163 WeakPolarHBondContact O-CA 3.49Å; D2160-V2163 WeakPolarHBondContact O-CB 3.46Å; D2160-V2163 PolarHBondContact O-N 3.14Å; D2160-V2164 WeakPolarHBondContact O-CG2 3.46Å; D2160-V2164 PolarHBondContact O-N 3.2Å
2161Q83.4Confident81.8Confident62 Ų6261.8 Ų61.829%0.2933%0.328SS..Hα-helixtrans-57.8-37.2175.5-69.1179.4-2500111.9I2151 L2156 M2157 V2163 V2164 N2165I2151-Q2161 PolarHBondContact O-NE2 3.18Å; L2156-Q2161 HydrophobicContact CB-CG 3.98Å; L2156-Q2161 HydrophobicContact CD2-CG 4.07Å; M2157-Q2161 PolarHBondContact O-N 3.05Å; Q2161-V2163 VanDerWaalsContact C-N 3.33Å; Q2161-V2163 PolarHBondContact O-N 3.27Å; Q2161-V2164 PolarHBondContact O-N 2.97Å; Q2161-N2165 WeakPolarHBondContact O-CB 3.21Å; Q2161-N2165 PolarHBondContact O-N 3.37Å; Q2161-N2165 PolarHBondContact O-ND2 3.47Å
2162K84.8Confident81.6Confident134 Ų13465 Ų6558%0.58335%0.345SS*.Hα-helixtrans-61.2-39.4171.2-68.3166.2-165.61660112P2158 N2159 D2160 N2165 Q2166P2158-K2162 WeakPolarHBondContact O-CG 3Å; P2158-K2162 PolarHBondContact O-N 2.83Å; N2159-K2162 WeakPolarHBondContact O-CB 3.33Å; N2159-K2162 PolarHBondContact O-N 2.93Å; N2159-K2162 PolarHBondContact OD1-NZ 2.87Å; D2160-K2162 VanDerWaalsContact C-N 3.25Å; D2160-K2162 PolarHBondContact O-N 2.74Å; K2162-N2165 PolarHBondContact O-N 3.46Å; K2162-Q2166 WeakPolarHBondContact O-CB 3.43Å; K2162-Q2166 PolarHBondContact O-N 3.3Å
2163V86.4Confident81.1Confident34 Ų3462.6 Ų62.621%0.20633%0.332CS..Hα-helixtrans-67.4-41175.9178.40000111.4N2159 D2160 Q2161 Q2166 L2167N2159-V2163 PolarHBondContact O-N 3.44Å; D2160-V2163 CarbonylContact O-C 3.57Å; D2160-V2163 WeakPolarHBondContact O-CA 3.49Å; D2160-V2163 WeakPolarHBondContact O-CB 3.46Å; D2160-V2163 PolarHBondContact O-N 3.14Å; Q2161-V2163 VanDerWaalsContact C-N 3.33Å; Q2161-V2163 PolarHBondContact O-N 3.27Å; V2163-Q2166 PolarHBondContact O-N 2.89Å; V2163-L2167 HydrophobicContact CG1-CD1 4.19Å; V2163-L2167 WeakPolarHBondContact O-CG 3.32Å; V2163-L2167 PolarHBondContact O-N 2.83Å
2164V88.8Confident80.4Confident0 Ų066.2 Ų66.20%035%0.35CS..Hα-helixtrans-63.6-45175.1-160.40000111.1L2119 L2147 L2150 I2151 L2156 D2160 Q2161 Q2166 L2167 L2168L2119-V2164 HydrophobicContact CD1-CG2 3.84Å; L2119-V2164 HydrophobicContact CD2-CG2 4.03Å; L2147-V2164 HydrophobicContact CB-CG1 4.17Å; L2147-V2164 HydrophobicContact CD2-CG1 3.61Å; L2147-V2164 WeakPolarHBondContact O-CG1 3.27Å; L2150-V2164 HydrophobicContact CB-CG1 3.79Å; L2150-V2164 HydrophobicContact CB-CG2 4.3Å; I2151-V2164 HydrophobicContact CD1-CG1 4.29Å; I2151-V2164 HydrophobicContact CG1-CB 3.76Å; I2151-V2164 HydrophobicContact CG1-CG1 3.61Å; L2156-V2164 HydrophobicContact CD2-CG2 3.48Å; L2156-V2164 VanDerWaalsContact CD2-CG2 3.48Å; D2160-V2164 WeakPolarHBondContact O-CG2 3.46Å; D2160-V2164 PolarHBondContact O-N 3.2Å; Q2161-V2164 PolarHBondContact O-N 2.97Å; V2164-Q2166 VanDerWaalsContact C-N 3.32Å; V2164-Q2166 PolarHBondContact O-N 2.81Å; V2164-L2167 PolarHBondContact O-N 3.21Å; V2164-L2168 WeakPolarHBondContact O-CB 3.36Å; V2164-L2168 PolarHBondContact O-N 2.68Å
2165N86.2Confident79.7Confident68 Ų6868 Ų6836%0.36435%0.348SS..Hα-helixtrans-61-39175-82.3-88.7000112.1Q2161 K2162 L2168 L2169Q2161-N2165 WeakPolarHBondContact O-CB 3.21Å; Q2161-N2165 PolarHBondContact O-N 3.37Å; Q2161-N2165 PolarHBondContact O-ND2 3.47Å; K2162-N2165 PolarHBondContact O-N 3.46Å; N2165-L2168 PolarHBondContact O-N 3.5Å; N2165-L2169 WeakPolarHBondContact O-CB 3.44Å; N2165-L2169 VanDerWaalsContact O-CG 3.28Å; N2165-L2169 WeakPolarHBondContact O-CG 3.39Å; N2165-L2169 PolarHBondContact O-N 3.14Å
2166Q87.1Confident78.9Confident130 Ų13065.9 Ų65.961%0.60734%0.34SS*.Hα-helixtrans-63.5-43.8175.2-173.1179.312.800111.7K2162 V2163 V2164 L2169 Q2170K2162-Q2166 WeakPolarHBondContact O-CB 3.43Å; K2162-Q2166 PolarHBondContact O-N 3.3Å; V2163-Q2166 PolarHBondContact O-N 2.89Å; V2164-Q2166 VanDerWaalsContact C-N 3.32Å; V2164-Q2166 PolarHBondContact O-N 2.81Å; Q2166-L2169 PolarHBondContact O-N 2.68Å; Q2166-Q2170 WeakPolarHBondContact O-CB 3.29Å; Q2166-Q2170 PolarHBondContact O-N 3.34Å
2167L88.1Confident77.9Confident6 Ų667.4 Ų67.43%0.03135%0.349CS..Hα-helixtrans-65.6-41.8176.6-70.7166.7000111.9L2119 R2123 I2126 T2127 L2147 V2163 V2164 Q2170 M2171L2119-L2167 HydrophobicContact CD1-CD1 4.06Å; R2123-L2167 HydrophobicContact CB-CD1 3.76Å; R2123-L2167 HydrophobicContact CG-CD1 4.02Å; R2123-L2167 HydrophobicContact CG-CD2 4.29Å; I2126-L2167 HydrophobicContact CB-CD2 4.41Å; I2126-L2167 HydrophobicContact CD1-CB 4.4Å; I2126-L2167 HydrophobicContact CD1-CD2 4.41Å; I2126-L2167 HydrophobicContact CG2-CD2 4.17Å; T2127-L2167 HydrophobicContact CG2-CD2 4.04Å; L2147-L2167 HydrophobicContact CD1-CB 4.47Å; L2147-L2167 HydrophobicContact CD2-CB 4.15Å; V2163-L2167 HydrophobicContact CG1-CD1 4.19Å; V2163-L2167 WeakPolarHBondContact O-CG 3.32Å; V2163-L2167 PolarHBondContact O-N 2.83Å; V2164-L2167 PolarHBondContact O-N 3.21Å; L2167-Q2170 PolarHBondContact O-N 2.8Å; L2167-M2171 WeakPolarHBondContact O-CG 3.36Å; L2167-M2171 PolarHBondContact O-N 2.91Å
2168L87.4Confident76.8Confident20 Ų2071.6 Ų71.611%0.10537%0.368CS..Hα-helixtrans-59.5-49.1175.4-171.178.1000110.8L2144 L2147 D2148 I2151 V2164 N2165 Q2170 M2171 I2172L2144-L2168 HydrophobicContact CD2-CD1 3.7Å; L2147-L2168 HydrophobicContact CB-CD1 3.77Å; L2147-L2168 HydrophobicContact CD1-CB 4.45Å; L2147-L2168 HydrophobicContact CD1-CD1 4.18Å; D2148-L2168 WeakPolarHBondContact OD1-CD2 3.42Å; I2151-L2168 HydrophobicContact CD1-CD2 3.78Å; V2164-L2168 WeakPolarHBondContact O-CB 3.36Å; V2164-L2168 PolarHBondContact O-N 2.68Å; N2165-L2168 PolarHBondContact O-N 3.5Å; L2168-Q2170 VanDerWaalsContact C-N 3.3Å; L2168-Q2170 PolarHBondContact O-N 2.84Å; L2168-M2171 PolarHBondContact O-N 3.02Å; L2168-I2172 HydrophobicContact CD1-CD1 4.25Å; L2168-I2172 HydrophobicContact CD2-CD1 4.3Å; L2168-I2172 HydrophobicContact CG-CD1 3.8Å; L2168-I2172 WeakPolarHBondContact O-CB 3.46Å; L2168-I2172 VanDerWaalsContact O-CG1 3.28Å; L2168-I2172 WeakPolarHBondContact O-CG1 3.37Å; L2168-I2172 PolarHBondContact O-N 2.83Å
2169L84.4Confident75.8Confident116 Ų11673.9 Ų73.961%0.60738%0.375SS*.Hα-helixtrans-60.9-37.3174.7-71.9170.5000112.3N2165 Q2166 I2172 S2173N2165-L2169 WeakPolarHBondContact O-CB 3.44Å; N2165-L2169 VanDerWaalsContact O-CG 3.28Å; N2165-L2169 WeakPolarHBondContact O-CG 3.39Å; N2165-L2169 PolarHBondContact O-N 3.14Å; Q2166-L2169 PolarHBondContact O-N 2.68Å; L2169-I2172 PolarHBondContact O-N 2.76Å; L2169-S2173 VanDerWaalsContact O-CB 3.24Å; L2169-S2173 WeakPolarHBondContact O-CB 3.46Å; L2169-S2173 PolarHBondContact O-N 2.95Å; L2169-S2173 PolarHBondContact O-OG 2.86Å
2170Q82Confident75.1Confident61 Ų6175 Ų7529%0.28537%0.372SS..Hα-helixtrans-67.2-40.3177.4-158.1179.73.200112Q2166 L2167 L2168 S2173 L2176Q2166-Q2170 WeakPolarHBondContact O-CB 3.29Å; Q2166-Q2170 PolarHBondContact O-N 3.34Å; L2167-Q2170 PolarHBondContact O-N 2.8Å; L2168-Q2170 VanDerWaalsContact C-N 3.3Å; L2168-Q2170 PolarHBondContact O-N 2.84Å; Q2170-S2173 PolarHBondContact O-OG 3.36Å; Q2170-L2176 HydrophobicContact CB-CD2 4.4Å; Q2170-L2176 HydrophobicContact CG-CD2 3.66Å; Q2170-L2176 HydrophobicContact CG-CG 4.09Å
2171M82.8Confident74.4Confident0 Ų076.3 Ų76.30%038%0.379CS..Hα-helixtrans-73.4-29175.9-69.8-165.272.600114.1I2126 F2133 K2140 M2143 L2144 L2147 L2167 L2168 L2176I2126-M2171 HydrophobicContact CD1-CG 4.23Å; I2126-M2171 HydrophobicContact CD1-SD 3.47Å; I2126-M2171 WeakPolarHBondContact CD1-SD 3.46Å; I2126-M2171 HydrophobicContact CG1-CG 4.43Å; I2126-M2171 HydrophobicContact CG1-SD 3.74Å; I2126-M2171 HydrophobicContact CG2-CG 3.93Å; I2126-M2171 HydrophobicContact CG2-SD 4.35Å; F2133-M2171 HydrophobicContact CB-CE 4.14Å; F2133-M2171 HydrophobicContact CD1-CE 3.79Å; F2133-M2171 HydrophobicContact CE1-CE 4.38Å; F2133-M2171 HydrophobicContact CG-CE 3.87Å; K2140-M2171 WeakPolarHBondContact CE-O 3.41Å; K2140-M2171 HydrophobicContact CG-CE 3.89Å; K2140-M2171 PolarHBondContact NZ-O 3.03Å; M2143-M2171 HydrophobicContact CB-CE 3.98Å; M2143-M2171 HydrophobicContact CB-SD 4.41Å; M2143-M2171 HydrophobicContact CG-CE 3.77Å; M2143-M2171 HydrophobicContact CG-SD 3.66Å; L2144-M2171 HydrophobicContact CD2-CB 3.69Å; L2144-M2171 HydrophobicContact CD2-SD 4.41Å; L2147-M2171 HydrophobicContact CD1-CG 4.41Å; L2147-M2171 HydrophobicContact CD1-SD 3.6Å; L2147-M2171 VanDerWaalsContact CD1-SD 3.6Å; L2167-M2171 WeakPolarHBondContact O-CG 3.36Å; L2167-M2171 PolarHBondContact O-N 2.91Å; L2168-M2171 PolarHBondContact O-N 3.02Å; M2171-L2176 HydrophobicContact CG-CD1 4.24Å
2172I81.8Confident74Confident103 Ų10378 Ų7853%0.52839%0.39SS..Hα-helixtrans-81.3-33.3178.1-70.2173.1000111.9L2144 L2168 L2169L2144-I2172 HydrophobicContact CD2-CD1 4.48Å; L2144-I2172 HydrophobicContact CD2-CG1 3.88Å; L2168-I2172 HydrophobicContact CD1-CD1 4.25Å; L2168-I2172 HydrophobicContact CD2-CD1 4.3Å; L2168-I2172 HydrophobicContact CG-CD1 3.8Å; L2168-I2172 WeakPolarHBondContact O-CB 3.46Å; L2168-I2172 VanDerWaalsContact O-CG1 3.28Å; L2168-I2172 WeakPolarHBondContact O-CG1 3.37Å; L2168-I2172 PolarHBondContact O-N 2.83Å; L2169-I2172 PolarHBondContact O-N 2.76Å
2173S71.2Confident73.9Confident58 Ų5872.3 Ų72.341%0.40637%0.366SS..SBendtrans-85.6-5.8-176.760.10000114.8L2169 Q2170 Q2175L2169-S2173 VanDerWaalsContact O-CB 3.24Å; L2169-S2173 WeakPolarHBondContact O-CB 3.46Å; L2169-S2173 PolarHBondContact O-N 2.95Å; L2169-S2173 PolarHBondContact O-OG 2.86Å; Q2170-S2173 PolarHBondContact O-OG 3.36Å; S2173-Q2175 PolarHBondContact O-N 3.3Å
2174D65.1Low73.5Confident99 Ų9976 Ų7653%0.52938%0.384SS..  trans54.715-173.6-74.3-38.5000115.6K2140 L2176K2140-D2174 VanDerWaalsContact NZ-CG 3.33Å; K2140-D2174 IonicContact NZ-OD1 2.71Å; K2140-D2174 PolarHBondContact NZ-OD1 3.14Å; K2140-D2174 IonicContact NZ-OD2 3.58Å; K2140-D2174 PolarHBondContact NZ-OD2 3.1Å; D2174-L2176 PolarHBondContact O-N 2.78Å
2175Q58Low73.2Confident152 Ų15279.7 Ų79.771%0.7141%0.41SS*.THydrogen-bonded Turntrans-77.122.9173.5-60.4-173.40.300113.3S2173 V2177S2173-Q2175 PolarHBondContact O-N 3.3Å; Q2175-V2177 VanDerWaalsContact C-N 3.29Å
2176L57.9Low73.1Confident28 Ų2877.6 Ų77.615%0.14740%0.398CS..THydrogen-bonded Turntrans-72.3-23.3175.4-77166000112.8I2126 P2130 Q2170 M2171 D2174I2126-L2176 HydrophobicContact CG2-CD2 3.59Å; P2130-L2176 HydrophobicContact CB-CB 3.93Å; P2130-L2176 HydrophobicContact CB-CD1 4.48Å; P2130-L2176 HydrophobicContact CB-CD2 4.46Å; Q2170-L2176 HydrophobicContact CB-CD2 4.4Å; Q2170-L2176 HydrophobicContact CG-CD2 3.66Å; Q2170-L2176 HydrophobicContact CG-CG 4.09Å; M2171-L2176 HydrophobicContact CG-CD1 4.24Å; D2174-L2176 PolarHBondContact O-N 2.78Å
2177V55.8Low73.1Confident42 Ų4272.8 Ų72.826%0.25538%0.377SS..SBendtrans-116.3107.3-170.2177.50000110.6Q2175 R2180Q2175-V2177 VanDerWaalsContact C-N 3.29Å; V2177-R2180 HydrophobicContact CG1-CB 3.99Å; V2177-R2180 HydrophobicContact CG1-CG 3.47Å; V2177-R2180 VanDerWaalsContact CG1-CG 3.47Å
2178Q52Low72.7Confident170 Ų17077.1 Ų77.179%0.79440%0.403SS*.  trans-79.2128.7174.3-66.5179.3-45.600111.1R2180 R2219Q2178-R2180 PolarHBondContact O-N 3.35Å; Q2178-R2219 PolarHBondContact O-NH2 2.74Å
2179D53.1Low71.9Confident134 Ų13479.1 Ų79.172%0.71742%0.418SS*.  trans39.559.2169.2-62.2-14.4000114.6I2181 R2219D2179-I2181 PolarHBondContact O-N 2.85Å; D2179-R2219 PolarHBondContact O-NH1 3.19Å; D2179-R2219 PolarHBondContact O-NH2 3.28Å
2180R60.4Low71.2Confident119 Ų11979 Ų7945%0.44941%0.409SS..  trans-75.2115.8157-91-170.3-161.9152.43.2108.5D2131 E2134 V2177 Q2178D2131-R2180 IonicContact OD1-NH2 2.64Å; D2131-R2180 PolarHBondContact OD1-NH2 3.03Å; E2134-R2180 IonicContact OE1-CZ 2.87Å; E2134-R2180 IonicContact OE1-NH1 2.71Å; E2134-R2180 PolarHBondContact OE1-NH1 2.95Å; E2134-R2180 IonicContact OE1-NH2 3.81Å; E2134-R2180 IonicContact OE2-CZ 2.81Å; E2134-R2180 IonicContact OE2-NH1 2.76Å; E2134-R2180 PolarHBondContact OE2-NH1 2.82Å; E2134-R2180 IonicContact OE2-NH2 2.63Å; E2134-R2180 PolarHBondContact OE2-NH2 2.94Å; V2177-R2180 HydrophobicContact CG1-CB 3.99Å; V2177-R2180 HydrophobicContact CG1-CG 3.47Å; V2177-R2180 VanDerWaalsContact CG1-CG 3.47Å; Q2178-R2180 PolarHBondContact O-N 3.35Å
2181I66.1Low70.4Confident67 Ų6785.7 Ų85.734%0.34444%0.441SS..  trans-80.4135.9176.1-70.4163.4000108D2179 L2183 I2186D2179-I2181 PolarHBondContact O-N 2.85Å; I2181-L2183 WeakPolarHBondContact O-CD1 3.44Å; I2181-L2183 PolarHBondContact O-N 3.17Å; I2181-I2186 HydrophobicContact CG2-CD1 3.34Å; I2181-I2186 HydrophobicContact CG2-CG1 4.29Å
2182D74Confident69.7Low97 Ų9790.9 Ų90.952%0.51947%0.467SS..  trans-69101.4173.3177.3-2.6000109.6D2184 S2185 I2186D2182-D2184 VanDerWaalsContact C-N 3.3Å; D2182-D2184 PolarHBondContact O-N 2.99Å; D2182-D2184 PolarHBondContact OD1-N 3.35Å; D2182-S2185 PolarHBondContact O-N 2.95Å; D2182-S2185 PolarHBondContact O-OG 3.36Å; D2182-S2185 PolarHBondContact OD1-N 2.99Å; D2182-S2185 VanDerWaalsContact OD1-N 3.12Å; D2182-S2185 WeakPolarHBondContact OD2-CB 3.23Å; D2182-I2186 PolarHBondContact O-N 2.98Å
2183L82.3Confident69.2Low15 Ų1589.6 Ų89.68%0.07947%0.465CS..Hα-helixtrans-63.1-35.4179.1-10064.5000112.5I2181 S2185 I2186 L2187 Q2216 I2217 S2220 L2245I2181-L2183 WeakPolarHBondContact O-CD1 3.44Å; I2181-L2183 PolarHBondContact O-N 3.17Å; L2183-S2185 VanDerWaalsContact C-N 3.3Å; L2183-S2185 PolarHBondContact O-N 2.87Å; L2183-I2186 PolarHBondContact O-N 3.32Å; L2183-L2187 HydrophobicContact CB-CD1 4.12Å; L2183-L2187 HydrophobicContact CD2-CD1 4.3Å; L2183-L2187 HydrophobicContact CG-CD1 4.14Å; L2183-L2187 VanDerWaalsContact O-CB 3.27Å; L2183-L2187 WeakPolarHBondContact O-CB 3.48Å; L2183-L2187 VanDerWaalsContact O-CG 3.25Å; L2183-L2187 WeakPolarHBondContact O-CG 3.45Å; L2183-L2187 PolarHBondContact O-N 2.87Å; L2183-Q2216 HydrophobicContact CD1-CB 4.21Å; L2183-I2217 HydrophobicContact CD2-CG1 4.38Å; L2183-S2220 VanDerWaalsContact CD1-OG 3.3Å; L2183-S2220 WeakPolarHBondContact CD1-OG 3.48Å; L2183-L2245 HydrophobicContact CD2-CD2 4.22Å
2184D79.8Confident69.5Low112 Ų11287.4 Ų87.460%0.59945%0.45SS*.Hα-helixtrans-68.9-35.7-177.6-64.6-36.3000109.7D2182 I2186 T2188D2182-D2184 VanDerWaalsContact C-N 3.3Å; D2182-D2184 PolarHBondContact O-N 2.99Å; D2182-D2184 PolarHBondContact OD1-N 3.35Å; D2184-I2186 VanDerWaalsContact C-N 3.31Å; D2184-I2186 PolarHBondContact O-N 3.05Å; D2184-T2188 WeakPolarHBondContact O-CB 3.35Å; D2184-T2188 PolarHBondContact O-N 2.85Å; D2184-T2188 PolarHBondContact O-OG1 3.24Å
2185S81.5Confident69.9Low76 Ų7690.2 Ų90.253%0.53146%0.46SS..Hα-helixtrans-63.1-30.5172.479.90000114.6D2182 L2183D2182-S2185 PolarHBondContact O-N 2.95Å; D2182-S2185 PolarHBondContact O-OG 3.36Å; D2182-S2185 PolarHBondContact OD1-N 2.99Å; D2182-S2185 VanDerWaalsContact OD1-N 3.12Å; D2182-S2185 WeakPolarHBondContact OD2-CB 3.23Å; L2183-S2185 VanDerWaalsContact C-N 3.3Å; L2183-S2185 PolarHBondContact O-N 2.87Å
2186I84.3Confident70.8Confident24 Ų2486 Ų8612%0.12344%0.439CS..Hα-helixtrans-91.2-32.1-178.5-66.7-172.4000112.1I2181 D2182 L2183 D2184 F2212 L2213 L2413I2181-I2186 HydrophobicContact CG2-CD1 3.34Å; I2181-I2186 HydrophobicContact CG2-CG1 4.29Å; D2182-I2186 PolarHBondContact O-N 2.98Å; L2183-I2186 PolarHBondContact O-N 3.32Å; D2184-I2186 VanDerWaalsContact C-N 3.31Å; D2184-I2186 PolarHBondContact O-N 3.05Å; I2186-F2212 HydrophobicContact CD1-CE1 4.15Å; I2186-F2212 HydrophobicContact CD1-CZ 4.2Å; I2186-F2212 HydrophobicContact CG2-CE1 4.3Å; I2186-L2213 HydrophobicContact CG2-CD2 3.53Å; I2186-L2413 WeakPolarHBondContact O-CD1 3.44Å
2187L86.1Confident72Confident30 Ų3088 Ų8816%0.15745%0.45CS..Hα-helixtrans-96.8-6.2-174-61.2171.4000113.5L2183 P2189 L2213 I2217 L2245 L2413L2183-L2187 HydrophobicContact CB-CD1 4.12Å; L2183-L2187 HydrophobicContact CD2-CD1 4.3Å; L2183-L2187 HydrophobicContact CG-CD1 4.14Å; L2183-L2187 VanDerWaalsContact O-CB 3.27Å; L2183-L2187 WeakPolarHBondContact O-CB 3.48Å; L2183-L2187 VanDerWaalsContact O-CG 3.25Å; L2183-L2187 WeakPolarHBondContact O-CG 3.45Å; L2183-L2187 PolarHBondContact O-N 2.87Å; L2187-P2189 VanDerWaalsContact O-CD 3.29Å; L2187-P2189 WeakPolarHBondContact O-CD 3.32Å; L2187-L2213 HydrophobicContact CD2-CD2 3.99Å; L2187-I2217 HydrophobicContact CD1-CD1 4.11Å; L2187-I2217 HydrophobicContact CD1-CG1 3.86Å; L2187-I2217 HydrophobicContact CD2-CD1 4.07Å; L2187-I2217 HydrophobicContact CD2-CG1 4.4Å; L2187-L2245 HydrophobicContact CD1-CD2 3.81Å; L2187-L2245 HydrophobicContact CD1-CG 4.45Å; L2187-L2413 HydrophobicContact CD2-CD2 4.18Å
2188T81.2Confident73.7Confident96 Ų9686 Ų8659%0.58944%0.438SS*.  trans-59.9115.5172.1-71.60000110.1D2184D2184-T2188 WeakPolarHBondContact O-CB 3.35Å; D2184-T2188 PolarHBondContact O-N 2.85Å; D2184-T2188 PolarHBondContact O-OG1 3.24Å
2189P69.5Low75.5Confident63 Ų6382.1 Ų82.141%0.40942%0.423SS..  trans-70.6140.8179.129.5-34.3000110.7L2187 Q2191 P2415L2187-P2189 VanDerWaalsContact O-CD 3.29Å; L2187-P2189 WeakPolarHBondContact O-CD 3.32Å; P2189-Q2191 PolarHBondContact O-N 3.14Å; P2189-P2415 HydrophobicContact CB-CG 4.36Å
2190R69.4Low77.2Confident112 Ų11282 Ų8242%0.42342%0.418SS..  trans-64.5132.1176.1-161.2-171.8-114.2-121.41.5109.6I2192 D2410R2190-I2192 WeakPolarHBondContact CD-O 3.03Å; R2190-I2192 PolarHBondContact O-N 3.5Å; R2190-D2410 IonicContact CZ-OD2 2.71Å; R2190-D2410 IonicContact NE-OD2 2.96Å; R2190-D2410 PolarHBondContact NE-OD2 3.01Å; R2190-D2410 IonicContact NH2-OD2 3.18Å; R2190-D2410 PolarHBondContact NH2-OD2 3.47Å
2191Q65.2Low78.8Confident202 Ų20276.8 Ų76.894%0.94440%0.399SS*.SBendtrans-69.7-11.4178-66.9-175.2-3.400113.9P2189P2189-Q2191 PolarHBondContact O-N 3.14Å
2192I68.7Low80.1Confident110 Ų11076 Ų7656%0.56440%0.399SS*.SBendtrans-111.1130.3177.3-55.5173.3000106.6R2190R2190-I2192 WeakPolarHBondContact CD-O 3.03Å; R2190-I2192 PolarHBondContact O-N 3.5Å
2193P72.3Confident81.1Confident75 Ų7572.4 Ų72.449%0.48738%0.384SS..  trans-52146.6177.2-2735000112.3E2195P2193-E2195 PolarHBondContact O-N 3.39Å
2194S77.7Confident81.7Confident12 Ų1275.8 Ų75.88%0.08440%0.401CS..  trans-66.2128.4-176.1-174.90000111.3K2196 D2414 R2417S2194-K2196 PolarHBondContact O-N 3.44Å; S2194-D2414 PolarHBondContact N-OD2 3.01Å; S2194-R2417 PolarHBondContact O-NH2 3.09Å
2195E73Confident82.5Confident159 Ų15971.8 Ų71.874%0.74338%0.38SS*.SBendtrans-61.3-28.7177.6-67.1176.4-172.500112.5P2193P2193-E2195 PolarHBondContact O-N 3.39Å
2196K76.5Confident83.3Confident62 Ų6268.2 Ų68.227%0.2736%0.355SS..SBendtrans-93.5122.5-178-61.4-164.3-174.5-1740110.9S2194 L2201 E2407S2194-K2196 PolarHBondContact O-N 3.44Å; K2196-L2201 HydrophobicContact CB-CD1 4.44Å; K2196-L2201 HydrophobicContact CB-CD2 3.87Å; K2196-L2201 HydrophobicContact CB-CG 4.17Å; K2196-L2201 HydrophobicContact CD-CD2 3.77Å; K2196-L2201 HydrophobicContact CG-CD2 4.45Å; K2196-E2407 HydrophobicContact CD-CB 4.18Å; K2196-E2407 WeakPolarHBondContact CE-OE1 3.34Å; K2196-E2407 IonicContact NZ-OE1 3.65Å; K2196-E2407 PolarHBondContact NZ-OE1 3.41Å; K2196-E2407 IonicContact NZ-OE2 2.74Å; K2196-E2407 PolarHBondContact NZ-OE2 3.19Å
2197N82.5Confident83.9Confident70 Ų7067 Ų6737%0.37435%0.349SS..  trans-89156.8176.8-72.5-47.8000111.6D2199 Q2200 L2201 R2417N2197-D2199 PolarHBondContact O-N 2.9Å; N2197-Q2200 WeakPolarHBondContact O-CB 3.48Å; N2197-Q2200 PolarHBondContact O-N 2.72Å; N2197-L2201 PolarHBondContact O-N 3.01Å; N2197-R2417 PolarHBondContact OD1-NH1 3.05Å; N2197-R2417 PolarHBondContact OD1-NH2 3.39Å
2198F91.4Very high84.5Confident0 Ų068.3 Ų68.30%035%0.354CS..THydrogen-bonded Turntrans-45.4-39.8-178.5176.4-110.6000114.1Q2200 I2206 E2260 C2273 K2276 W2277 I2280 Y2411F2198-Q2200 PolarHBondContact O-N 3.28Å; F2198-I2206 HydrophobicContact CD2-CD1 3.94Å; F2198-I2206 HydrophobicContact CE2-CD1 4.01Å; F2198-E2260 VanDerWaalsContact CB-CD 3.42Å; F2198-E2260 HydrophobicContact CB-CG 4.1Å; F2198-E2260 WeakPolarHBondContact CB-OE2 3.17Å; F2198-E2260 HydrophobicContact CD1-CG 3.95Å; F2198-E2260 HydrophobicContact CD2-CG 4.16Å; F2198-E2260 HydrophobicContact CE1-CG 4.38Å; F2198-E2260 HydrophobicContact CG-CG 3.82Å; F2198-C2273 HydrophobicContact CE1-CB 4.35Å; F2198-K2276 HydrophobicContact CD1-CD 4.37Å; F2198-K2276 HydrophobicContact CE1-CB 4.17Å; F2198-K2276 HydrophobicContact CE1-CD 3.69Å; F2198-K2276 HydrophobicContact CE1-CG 4.14Å; F2198-K2276 HydrophobicContact CE2-CD 4.35Å; F2198-K2276 HydrophobicContact CE2-CG 4.45Å; F2198-K2276 HydrophobicContact CZ-CB 3.92Å; F2198-K2276 HydrophobicContact CZ-CD 3.69Å; F2198-K2276 HydrophobicContact CZ-CG 3.72Å; F2198-K2276 PolarHBondContact O-NZ 3.23Å; F2198-W2277 AromaticContact CD2-CZ2 3.96Å; F2198-W2277 HydrophobicContact CD2-CZ2 3.96Å; F2198-W2277 AromaticContact CE2-CD2 3.96Å; F2198-W2277 HydrophobicContact CE2-CD2 3.96Å; F2198-W2277 AromaticContact CE2-CE2 3.35Å; F2198-W2277 HydrophobicContact CE2-CG 4.42Å; F2198-W2277 HydrophobicContact CE2-CH2 4.2Å; F2198-W2277 AromaticContact CE2-CZ2 3.5Å; F2198-W2277 HydrophobicContact CE2-CZ2 3.5Å; F2198-W2277 AromaticContact CE2-NE1 3.49Å; F2198-W2277 AromaticContact CZ-CD1 3.64Å; F2198-W2277 HydrophobicContact CZ-CD2 4.11Å; F2198-W2277 AromaticContact CZ-CE2 3.71Å; F2198-W2277 HydrophobicContact CZ-CG 4.08Å; F2198-W2277 HydrophobicContact CZ-CZ2 4.31Å; F2198-W2277 AromaticContact CZ-NE1 3.38Å; F2198-I2280 HydrophobicContact CE2-CD1 3.94Å; F2198-I2280 HydrophobicContact CZ-CD1 4.39Å; F2198-Y2411 HydrophobicContact CB-CE2 4.16Å; F2198-Y2411 HydrophobicContact CD2-CE1 4.39Å; F2198-Y2411 WeakPolarHBondContact CD2-OH 3.43Å
2199D89.7Confident85.2Confident89 Ų8963.7 Ų63.748%0.47633%0.326SS..THydrogen-bonded Turntrans-68.9-34.3-176.5-53.1-62.1000113N2197 R2264 K2276N2197-D2199 PolarHBondContact O-N 2.9Å; D2199-R2264 IonicContact OD1-CZ 3.49Å; D2199-R2264 IonicContact OD1-NH1 2.6Å; D2199-R2264 PolarHBondContact OD1-NH1 3.34Å; D2199-R2264 IonicContact OD1-NH2 3.12Å; D2199-R2264 PolarHBondContact OD1-NH2 3Å; D2199-R2264 IonicContact OD2-CZ 3.6Å; D2199-R2264 VanDerWaalsContact OD2-CZ 3.24Å; D2199-R2264 IonicContact OD2-NH1 2.6Å; D2199-R2264 PolarHBondContact OD2-NH1 3.21Å; D2199-R2264 IonicContact OD2-NH2 2.72Å; D2199-R2264 PolarHBondContact OD2-NH2 3.29Å; D2199-K2276 PolarHBondContact O-NZ 2.71Å; D2199-K2276 VanDerWaalsContact O-NZ 3.17Å
2200Q89.4Confident86.5Confident133 Ų13360.7 Ų60.762%0.62131%0.306SS*.THydrogen-bonded Turntrans-77.1-25.7-177.9-63.1167.1-29.400113.2N2197 F2198N2197-Q2200 WeakPolarHBondContact O-CB 3.48Å; N2197-Q2200 PolarHBondContact O-N 2.72Å; F2198-Q2200 PolarHBondContact O-N 3.28Å
2201L93.3Very high87.9Confident8 Ų855.4 Ų55.44%0.04229%0.286CS..SBendtrans-83139.3179.6-62.8177.9000110.4K2196 N2197 I2206 K2276 V2408 Y2411K2196-L2201 HydrophobicContact CB-CD1 4.44Å; K2196-L2201 HydrophobicContact CB-CD2 3.87Å; K2196-L2201 HydrophobicContact CB-CG 4.17Å; K2196-L2201 HydrophobicContact CD-CD2 3.77Å; K2196-L2201 HydrophobicContact CG-CD2 4.45Å; N2197-L2201 PolarHBondContact O-N 3.01Å; L2201-I2206 HydrophobicContact CB-CD1 3.92Å; L2201-I2206 HydrophobicContact CB-CG1 3.93Å; L2201-I2206 HydrophobicContact CD1-CG1 4.47Å; L2201-K2276 WeakPolarHBondContact O-CE 3.21Å; L2201-K2276 PolarHBondContact O-NZ 2.77Å; L2201-V2408 HydrophobicContact CD1-CG1 4.39Å; L2201-V2408 HydrophobicContact CD2-CG2 4.22Å; L2201-Y2411 HydrophobicContact CD1-CD1 3.74Å; L2201-Y2411 HydrophobicContact CD1-CD2 4.45Å; L2201-Y2411 HydrophobicContact CD1-CG 3.72Å
2202S94.5Very high89.3Confident50 Ų5046.7 Ų46.735%0.3525%0.245SC..  trans-73.4151.817883.10000111.3L2204 D2205 I2206S2202-L2204 PolarHBondContact O-N 2.91Å; S2202-D2205 WeakPolarHBondContact CB-OD2 3.38Å; S2202-D2205 PolarHBondContact O-N 3.49Å; S2202-D2205 WeakPolarHBondContact OG-CB 3.47Å; S2202-D2205 PolarHBondContact OG-N 3.04Å; S2202-D2205 PolarHBondContact OG-OD2 3.2Å; S2202-I2206 WeakPolarHBondContact O-CG1 3.36Å; S2202-I2206 PolarHBondContact O-N 2.74Å; S2202-I2206 VanDerWaalsContact O-N 3.07Å
2203A95.5Very high90.6Very high23 Ų2341.5 Ų41.519%0.1922%0.218CC..Hα-helixtrans-61.1-33.6175.800000111.9S2207 I2280 I2283A2203-S2207 WeakPolarHBondContact O-CB 3.41Å; A2203-S2207 PolarHBondContact O-N 3.08Å; A2203-S2207 PolarHBondContact O-OG 3.46Å; A2203-I2280 HydrophobicContact CB-CG1 3.79Å; A2203-I2283 HydrophobicContact CB-CD1 4.02Å
2204L95.3Very high91.7Very high86 Ų8638.1 Ų38.145%0.4520%0.197SC..Hα-helixtrans-64.7-53.1174.3-179.561.5000110.9S2202 I2206 S2207 E2208 I2283S2202-L2204 PolarHBondContact O-N 2.91Å; L2204-I2206 VanDerWaalsContact C-N 3.3Å; L2204-I2206 PolarHBondContact O-N 3.28Å; L2204-S2207 WeakPolarHBondContact CA-OG 3.32Å; L2204-S2207 PolarHBondContact O-N 2.76Å; L2204-S2207 PolarHBondContact O-OG 2.79Å; L2204-E2208 HydrophobicContact CD1-CG 4.03Å; L2204-E2208 HydrophobicContact CG-CG 4.33Å; L2204-E2208 PolarHBondContact O-N 2.72Å; L2204-I2283 HydrophobicContact CD1-CG2 4.05Å
2205D95.4Very high92.5Very high28 Ų2837.8 Ų37.815%0.1519%0.193CC..Hα-helixtrans-53.9-46.3178.4-74.1-59.2000111.9S2202 E2208 Q2209 R2405 V2408S2202-D2205 WeakPolarHBondContact CB-OD2 3.38Å; S2202-D2205 PolarHBondContact O-N 3.49Å; S2202-D2205 WeakPolarHBondContact OG-CB 3.47Å; S2202-D2205 PolarHBondContact OG-N 3.04Å; S2202-D2205 PolarHBondContact OG-OD2 3.2Å; D2205-E2208 PolarHBondContact O-N 3.05Å; D2205-Q2209 WeakPolarHBondContact O-CB 3.49Å; D2205-Q2209 VanDerWaalsContact O-CG 3.26Å; D2205-Q2209 WeakPolarHBondContact O-CG 3.42Å; D2205-Q2209 PolarHBondContact O-N 3.03Å; D2205-R2405 VanDerWaalsContact CG-NH1 3.28Å; D2205-R2405 IonicContact OD1-CZ 2.63Å; D2205-R2405 IonicContact OD1-NE 3.7Å; D2205-R2405 IonicContact OD1-NH1 3.74Å; D2205-R2405 PolarHBondContact OD1-NH1 3.12Å; D2205-R2405 IonicContact OD2-NH1 3.72Å; D2205-R2405 PolarHBondContact OD2-NH1 3.07Å; D2205-V2408 HydrophobicContact CB-CG1 4.49Å; D2205-V2408 HydrophobicContact CB-CG2 4.24Å
2206I97.7Very high93.5Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-62.4-45.9178.2-62.7165.8000110.3F2198 L2201 S2202 L2204 L2210 W2277 I2280 L2412F2198-I2206 HydrophobicContact CD2-CD1 3.94Å; F2198-I2206 HydrophobicContact CE2-CD1 4.01Å; L2201-I2206 HydrophobicContact CB-CD1 3.92Å; L2201-I2206 HydrophobicContact CB-CG1 3.93Å; L2201-I2206 HydrophobicContact CD1-CG1 4.47Å; S2202-I2206 WeakPolarHBondContact O-CG1 3.36Å; S2202-I2206 PolarHBondContact O-N 2.74Å; S2202-I2206 VanDerWaalsContact O-N 3.07Å; L2204-I2206 VanDerWaalsContact C-N 3.3Å; L2204-I2206 PolarHBondContact O-N 3.28Å; I2206-L2210 WeakPolarHBondContact O-CB 3.35Å; I2206-L2210 PolarHBondContact O-N 2.98Å; I2206-W2277 HydrophobicContact CG2-CH2 4.33Å; I2206-W2277 HydrophobicContact CG2-CZ3 4.23Å; I2206-I2280 HydrophobicContact CB-CD1 4.08Å; I2206-I2280 HydrophobicContact CB-CG1 4.42Å; I2206-I2280 HydrophobicContact CD1-CD1 3.87Å; I2206-I2280 HydrophobicContact CG2-CD1 3.89Å; I2206-I2280 HydrophobicContact CG2-CG1 4.46Å; I2206-I2280 HydrophobicContact CG2-CG2 4.2Å; I2206-L2412 HydrophobicContact CG2-CD2 4.17Å
2207S98Very high94.3Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-66.4-38.1179.867.50000113.6A2203 L2204 T2211 I2283A2203-S2207 WeakPolarHBondContact O-CB 3.41Å; A2203-S2207 PolarHBondContact O-N 3.08Å; A2203-S2207 PolarHBondContact O-OG 3.46Å; L2204-S2207 WeakPolarHBondContact CA-OG 3.32Å; L2204-S2207 PolarHBondContact O-N 2.76Å; L2204-S2207 PolarHBondContact O-OG 2.79Å; S2207-T2211 VanDerWaalsContact O-CB 3.27Å; S2207-T2211 WeakPolarHBondContact O-CB 3.3Å; S2207-T2211 PolarHBondContact O-N 3.19Å; S2207-T2211 PolarHBondContact O-OG1 2.72Å; S2207-I2283 WeakPolarHBondContact OG-CG2 3.44Å
2208E97.4Very high94.9Very high56 Ų5625.1 Ų25.126%0.26213%0.133SC..Hα-helixtrans-65.8-50.2176.4-77.4-170.4-179.600110.8L2204 D2205 T2211 F2212 M2287 I2402L2204-E2208 HydrophobicContact CD1-CG 4.03Å; L2204-E2208 HydrophobicContact CG-CG 4.33Å; L2204-E2208 PolarHBondContact O-N 2.72Å; D2205-E2208 PolarHBondContact O-N 3.05Å; E2208-T2211 CarbonylContact O-C 3.58Å; E2208-T2211 PolarHBondContact O-N 3.43Å; E2208-F2212 WeakPolarHBondContact O-CB 3Å; E2208-F2212 PolarHBondContact O-N 2.97Å; E2208-M2287 HydrophobicContact CG-CE 4.03Å; E2208-M2287 HydrophobicContact CG-SD 4.23Å; E2208-I2402 HydrophobicContact CB-CG2 3.98Å
2209Q96.6Very high94.9Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-76.3-27.9-174.2-56.5-59-50.600112.1D2205 L2213 T2403 R2405 V2408 T2409 L2412D2205-Q2209 WeakPolarHBondContact O-CB 3.49Å; D2205-Q2209 VanDerWaalsContact O-CG 3.26Å; D2205-Q2209 WeakPolarHBondContact O-CG 3.42Å; D2205-Q2209 PolarHBondContact O-N 3.03Å; Q2209-L2213 WeakPolarHBondContact O-CB 3.05Å; Q2209-L2213 VanDerWaalsContact O-CG 3.3Å; Q2209-L2213 WeakPolarHBondContact O-CG 3.34Å; Q2209-L2213 PolarHBondContact O-N 2.67Å; Q2209-T2403 PolarHBondContact NE2-O 3.02Å; Q2209-R2405 HydrophobicContact CG-CB 4.08Å; Q2209-V2408 HydrophobicContact CB-CB 4.08Å; Q2209-V2408 HydrophobicContact CB-CG1 3.79Å; Q2209-V2408 HydrophobicContact CG-CB 3.83Å; Q2209-V2408 HydrophobicContact CG-CG1 3.87Å; Q2209-V2408 HydrophobicContact CG-CG2 4.3Å; Q2209-T2409 HydrophobicContact CB-CG2 4.18Å; Q2209-L2412 HydrophobicContact CB-CD1 4.01Å
2210L97.5Very high94.9Very high0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-62-46.8165.4176.858.7000111.1I2206 L2213 D2214 V2253 L2412I2206-L2210 WeakPolarHBondContact O-CB 3.35Å; I2206-L2210 PolarHBondContact O-N 2.98Å; L2210-L2213 PolarHBondContact O-N 2.83Å; L2210-D2214 WeakPolarHBondContact O-CB 3.19Å; L2210-D2214 PolarHBondContact O-N 3.13Å; L2210-V2253 HydrophobicContact CD1-CG1 4.03Å; L2210-V2253 HydrophobicContact CD1-CG2 3.73Å; L2210-V2253 HydrophobicContact CD2-CG1 4.27Å; L2210-L2412 HydrophobicContact CB-CD1 4.11Å
2211T97.5Very high95Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-66.2-37.2178.7-57.90000112.2S2207 E2208 F2215 M2287 N2289 I2351 Y2400 I2402S2207-T2211 VanDerWaalsContact O-CB 3.27Å; S2207-T2211 WeakPolarHBondContact O-CB 3.3Å; S2207-T2211 PolarHBondContact O-N 3.19Å; S2207-T2211 PolarHBondContact O-OG1 2.72Å; E2208-T2211 CarbonylContact O-C 3.58Å; E2208-T2211 PolarHBondContact O-N 3.43Å; T2211-F2215 VanDerWaalsContact O-CB 3.22Å; T2211-F2215 WeakPolarHBondContact O-CB 3.21Å; T2211-F2215 PolarHBondContact O-N 3.43Å; T2211-M2287 HydrophobicContact CG2-CE 4.16Å; T2211-N2289 WeakPolarHBondContact CA-ND2 2.79Å; T2211-N2289 HydrophobicContact CG2-CB 3.93Å; T2211-N2289 PolarHBondContact OG1-ND2 3.3Å; T2211-I2351 HydrophobicContact CG2-CD1 3.95Å; T2211-I2351 WeakPolarHBondContact O-CD1 3.49Å; T2211-Y2400 HydrophobicContact CG2-CD1 3.99Å; T2211-Y2400 HydrophobicContact CG2-CD2 4.19Å; T2211-Y2400 HydrophobicContact CG2-CE1 3.64Å; T2211-Y2400 HydrophobicContact CG2-CE2 3.84Å; T2211-Y2400 HydrophobicContact CG2-CG 4.24Å; T2211-I2402 HydrophobicContact CG2-CD1 4.03Å
2212F95.8Very high94.8Very high19 Ų1922.3 Ų22.38%0.08312%0.115CC..Hα-helixtrans-60.1-53.8172.1176-93.7000111.4I2186 E2208 F2215 Q2216 I2402 H2404I2186-F2212 HydrophobicContact CD1-CE1 4.15Å; I2186-F2212 HydrophobicContact CD1-CZ 4.2Å; I2186-F2212 HydrophobicContact CG2-CE1 4.3Å; E2208-F2212 WeakPolarHBondContact O-CB 3Å; E2208-F2212 PolarHBondContact O-N 2.97Å; F2212-F2215 PolarHBondContact O-N 2.77Å; F2212-Q2216 HydrophobicContact CE1-CG 4.2Å; F2212-Q2216 HydrophobicContact CE2-CG 4.48Å; F2212-Q2216 HydrophobicContact CZ-CG 4.17Å; F2212-Q2216 WeakPolarHBondContact O-CG 3.33Å; F2212-Q2216 PolarHBondContact O-N 3.49Å; F2212-I2402 HydrophobicContact CB-CB 4.42Å; F2212-I2402 HydrophobicContact CB-CD1 4.47Å; F2212-I2402 HydrophobicContact CB-CG2 4.01Å; F2212-I2402 HydrophobicContact CD2-CB 4.41Å; F2212-I2402 HydrophobicContact CD2-CG2 4.45Å; F2212-H2404 AromaticContact CD1-CD2 3.97Å; F2212-H2404 HydrophobicContact CE1-CB 4.05Å; F2212-H2404 AromaticContact CE1-CD2 3.54Å; F2212-H2404 AromaticContact CE1-CG 3.93Å; F2212-H2404 HydrophobicContact CE2-CB 4.26Å; F2212-H2404 HydrophobicContact CZ-CB 3.82Å
2213L95.5Very high94.6Very high1 Ų121.1 Ų21.11%0.00511%0.106CC..Hα-helixtrans-60.3-49.5-179.4-71.2175.4000111.8I2186 L2187 Q2209 L2210 F2215 Q2216 I2217 T2409 L2412 L2413I2186-L2213 HydrophobicContact CG2-CD2 3.53Å; L2187-L2213 HydrophobicContact CD2-CD2 3.99Å; Q2209-L2213 WeakPolarHBondContact O-CB 3.05Å; Q2209-L2213 VanDerWaalsContact O-CG 3.3Å; Q2209-L2213 WeakPolarHBondContact O-CG 3.34Å; Q2209-L2213 PolarHBondContact O-N 2.67Å; L2210-L2213 PolarHBondContact O-N 2.83Å; L2213-F2215 VanDerWaalsContact C-N 3.28Å; L2213-F2215 PolarHBondContact O-N 3.24Å; L2213-Q2216 PolarHBondContact O-N 2.94Å; L2213-I2217 WeakPolarHBondContact O-CG1 3.47Å; L2213-I2217 PolarHBondContact O-N 3.28Å; L2213-T2409 HydrophobicContact CD1-CG2 3.89Å; L2213-T2409 HydrophobicContact CD2-CG2 3.99Å; L2213-T2409 HydrophobicContact CG-CG2 3.94Å; L2213-L2412 HydrophobicContact CD1-CB 4.15Å; L2213-L2412 HydrophobicContact CD1-CD1 4.37Å; L2213-L2413 HydrophobicContact CD1-CD1 4.36Å; L2213-L2413 HydrophobicContact CD1-CD2 4.36Å; L2213-L2413 HydrophobicContact CD1-CG 4.2Å; L2213-L2413 HydrophobicContact CD2-CD1 4.49Å
2214D95.9Very high94.2Very high5 Ų521.9 Ų21.93%0.02711%0.106CC..Hα-helixtrans-60.5-37.8178.3-8524.6000111.9L2210 F2218 R2249 N2291 Q2295 I2351L2210-D2214 WeakPolarHBondContact O-CB 3.19Å; L2210-D2214 PolarHBondContact O-N 3.13Å; D2214-F2218 VanDerWaalsContact O-CB 3.25Å; D2214-F2218 WeakPolarHBondContact O-CB 3.41Å; D2214-F2218 PolarHBondContact O-N 2.89Å; D2214-R2249 IonicContact OD1-NE 2.73Å; D2214-N2291 PolarHBondContact OD2-ND2 2.97Å; D2214-Q2295 PolarHBondContact OD2-NE2 3.42Å; D2214-I2351 HydrophobicContact CB-CD1 3.8Å
2215F95.1Very high94.1Very high4 Ų417.8 Ų17.82%0.0188%0.084CC..Hα-helixtrans-68.9-40.6178.5-174.7-102.9000112.9T2211 F2212 L2213 I2217 F2218 R2219 I2351 T2398 P2399 Y2400T2211-F2215 VanDerWaalsContact O-CB 3.22Å; T2211-F2215 WeakPolarHBondContact O-CB 3.21Å; T2211-F2215 PolarHBondContact O-N 3.43Å; F2212-F2215 PolarHBondContact O-N 2.77Å; L2213-F2215 VanDerWaalsContact C-N 3.28Å; L2213-F2215 PolarHBondContact O-N 3.24Å; F2215-I2217 VanDerWaalsContact C-N 3.31Å; F2215-I2217 PolarHBondContact O-N 3.48Å; F2215-F2218 PolarHBondContact O-N 2.63Å; F2215-R2219 HydrophobicContact CE1-CB 4.2Å; F2215-R2219 HydrophobicContact CZ-CB 4.28Å; F2215-R2219 VanDerWaalsContact O-CB 3.29Å; F2215-R2219 WeakPolarHBondContact O-CB 3.11Å; F2215-R2219 PolarHBondContact O-N 3.19Å; F2215-I2351 HydrophobicContact CB-CD1 3.84Å; F2215-I2351 HydrophobicContact CD2-CG1 4.33Å; F2215-T2398 WeakPolarHBondContact CZ-O 3.44Å; F2215-P2399 HydrophobicContact CE1-CB 4.14Å; F2215-Y2400 HydrophobicContact CB-CD2 3.86Å; F2215-Y2400 HydrophobicContact CB-CE2 4.22Å; F2215-Y2400 HydrophobicContact CD1-CD2 4.19Å; F2215-Y2400 AromaticContact CD2-CD2 3.61Å; F2215-Y2400 HydrophobicContact CD2-CD2 3.61Å; F2215-Y2400 AromaticContact CD2-CE2 3.7Å; F2215-Y2400 HydrophobicContact CD2-CE2 3.7Å; F2215-Y2400 HydrophobicContact CE2-CD2 4.2Å; F2215-Y2400 HydrophobicContact CE2-CE2 4.36Å; F2215-Y2400 AromaticContact CG-CD2 3.61Å; F2215-Y2400 HydrophobicContact CG-CD2 3.61Å; F2215-Y2400 HydrophobicContact CG-CE2 4.08Å
2216Q92.9Very high94Very high19 Ų1916.6 Ų16.69%0.0898%0.078CC..Hα-helixtrans-63.4-39.5177.5-57.9-50.9-11.700111.5L2183 F2212 L2213 S2220L2183-Q2216 HydrophobicContact CD1-CB 4.21Å; F2212-Q2216 HydrophobicContact CE1-CG 4.2Å; F2212-Q2216 HydrophobicContact CE2-CG 4.48Å; F2212-Q2216 HydrophobicContact CZ-CG 4.17Å; F2212-Q2216 WeakPolarHBondContact O-CG 3.33Å; F2212-Q2216 PolarHBondContact O-N 3.49Å; L2213-Q2216 PolarHBondContact O-N 2.94Å; Q2216-S2220 WeakPolarHBondContact O-CB 3.17Å; Q2216-S2220 PolarHBondContact O-N 2.97Å; Q2216-S2220 PolarHBondContact O-OG 3.05Å
2217I93.8Very high93.8Very high3 Ų316.9 Ų16.92%0.0158%0.08CC..Hα-helixtrans-68.3-44.4176.8-53163.5000110.5L2183 L2187 L2213 F2215 S2220 L2245 V2246 R2249L2183-I2217 HydrophobicContact CD2-CG1 4.38Å; L2187-I2217 HydrophobicContact CD1-CD1 4.11Å; L2187-I2217 HydrophobicContact CD1-CG1 3.86Å; L2187-I2217 HydrophobicContact CD2-CD1 4.07Å; L2187-I2217 HydrophobicContact CD2-CG1 4.4Å; L2213-I2217 WeakPolarHBondContact O-CG1 3.47Å; L2213-I2217 PolarHBondContact O-N 3.28Å; F2215-I2217 VanDerWaalsContact C-N 3.31Å; F2215-I2217 PolarHBondContact O-N 3.48Å; I2217-S2220 PolarHBondContact O-N 2.93Å; I2217-L2245 HydrophobicContact CD1-CG 4.5Å; I2217-L2245 HydrophobicContact CG2-CB 3.94Å; I2217-L2245 HydrophobicContact CG2-CD2 3.98Å; I2217-L2245 HydrophobicContact CG2-CG 3.7Å; I2217-V2246 HydrophobicContact CB-CG2 4.15Å; I2217-V2246 HydrophobicContact CG2-CB 4.33Å; I2217-V2246 HydrophobicContact CG2-CG2 3.46Å; I2217-V2246 VanDerWaalsContact CG2-CG2 3.46Å; I2217-R2249 HydrophobicContact CD1-CB 3.92Å; I2217-R2249 HydrophobicContact CD1-CG 3.75Å
2218F94.7Very high93.3Very high3 Ų318.9 Ų18.91%0.0139%0.09CC..Hα-helixtrans-62.4-51.5178.6177.7-113.8000112.6D2214 F2215 S2220 I2221 I2351 P2352 L2354 V2392 H2396D2214-F2218 VanDerWaalsContact O-CB 3.25Å; D2214-F2218 WeakPolarHBondContact O-CB 3.41Å; D2214-F2218 PolarHBondContact O-N 2.89Å; F2215-F2218 PolarHBondContact O-N 2.63Å; F2218-S2220 PolarHBondContact O-N 3.23Å; F2218-S2220 VanDerWaalsContact O-N 3.11Å; F2218-I2221 HydrophobicContact CD2-CD1 4.03Å; F2218-I2221 WeakPolarHBondContact O-CG1 3.2Å; F2218-I2221 PolarHBondContact O-N 3.03Å; F2218-I2221 VanDerWaalsContact O-N 3.11Å; F2218-I2351 HydrophobicContact CB-CG2 4.36Å; F2218-I2351 HydrophobicContact CD1-CG2 4.35Å; F2218-I2351 HydrophobicContact CG-CG2 4.24Å; F2218-P2352 HydrophobicContact CE1-CG 4.24Å; F2218-P2352 HydrophobicContact CE2-CG 3.88Å; F2218-P2352 HydrophobicContact CZ-CG 3.51Å; F2218-L2354 HydrophobicContact CE2-CD1 4.5Å; F2218-V2392 HydrophobicContact CE2-CG1 4.01Å; F2218-V2392 HydrophobicContact CZ-CG1 4.07Å; F2218-H2396 AromaticContact CE1-CD2 3.48Å; F2218-H2396 VanDerWaalsContact CE1-CD2 3.48Å; F2218-H2396 WeakPolarHBondContact CE1-CD2 3.46Å; F2218-H2396 AromaticContact CE1-NE2 3.88Å; F2218-H2396 AromaticContact CE2-NE2 3.82Å; F2218-H2396 AromaticContact CZ-CD2 3.59Å; F2218-H2396 AromaticContact CZ-NE2 3.62Å; F2218-H2396 PolarHBondContact O-CE1 3.31Å; F2218-H2396 PolarHBondContact O-NE2 2.72Å
2219R91.1Very high93Very high81 Ų8117.6 Ų17.631%0.3068%0.084SC..Hα-helixtrans-56.4-28.9177.7177.3178.7167.7-132.9-7.5112.7Q2178 D2179 F2215 H2396Q2178-R2219 PolarHBondContact O-NH2 2.74Å; D2179-R2219 PolarHBondContact O-NH1 3.19Å; D2179-R2219 PolarHBondContact O-NH2 3.28Å; F2215-R2219 HydrophobicContact CE1-CB 4.2Å; F2215-R2219 HydrophobicContact CZ-CB 4.28Å; F2215-R2219 VanDerWaalsContact O-CB 3.29Å; F2215-R2219 WeakPolarHBondContact O-CB 3.11Å; F2215-R2219 PolarHBondContact O-N 3.19Å; R2219-H2396 PolarHBondContact O-ND1 2.94Å
2220S90.2Very high92.7Very high30 Ų3018.1 Ų18.121%0.219%0.088CC..THydrogen-bonded Turntrans-79.1-11.9-177.7-59.60000114.6L2183 Q2216 I2217 F2218 R2222 H2242L2183-S2220 VanDerWaalsContact CD1-OG 3.3Å; L2183-S2220 WeakPolarHBondContact CD1-OG 3.48Å; Q2216-S2220 WeakPolarHBondContact O-CB 3.17Å; Q2216-S2220 PolarHBondContact O-N 2.97Å; Q2216-S2220 PolarHBondContact O-OG 3.05Å; I2217-S2220 PolarHBondContact O-N 2.93Å; F2218-S2220 PolarHBondContact O-N 3.23Å; F2218-S2220 VanDerWaalsContact O-N 3.11Å; S2220-R2222 PolarHBondContact O-N 3.05Å; S2220-R2222 VanDerWaalsContact O-N 3.14Å; S2220-H2242 PolarHBondContact O-CE1 3.18Å; S2220-H2242 VanDerWaalsContact O-CE1 3.28Å; S2220-H2242 PolarHBondContact O-ND1 3.17Å
2221I92.3Very high92.4Very high8 Ų818.4 Ų18.44%0.0419%0.089CC..  trans-63.3116.3176.4-61.4164.2000109.7F2218 E2225 L2226 H2242 V2243 V2246 L2354 H2396F2218-I2221 HydrophobicContact CD2-CD1 4.03Å; F2218-I2221 WeakPolarHBondContact O-CG1 3.2Å; F2218-I2221 PolarHBondContact O-N 3.03Å; F2218-I2221 VanDerWaalsContact O-N 3.11Å; I2221-E2225 HydrophobicContact CG2-CB 4.48Å; I2221-L2226 HydrophobicContact CG2-CD1 4.05Å; I2221-L2226 HydrophobicContact CG2-CD2 4.11Å; I2221-L2226 HydrophobicContact CG2-CG 3.93Å; I2221-H2242 HydrophobicContact CB-CB 4.49Å; I2221-H2242 HydrophobicContact CG1-CB 3.9Å; I2221-V2243 HydrophobicContact CG1-CG2 4.46Å; I2221-V2243 HydrophobicContact CG2-CG2 3.77Å; I2221-V2246 HydrophobicContact CD1-CG2 3.88Å; I2221-V2246 HydrophobicContact CG1-CG2 4.42Å; I2221-L2354 HydrophobicContact CD1-CD1 3.97Å; I2221-L2354 HydrophobicContact CD1-CD2 3.54Å; I2221-L2354 HydrophobicContact CD1-CG 4.37Å; I2221-H2396 PolarHBondContact O-CE1 3.37Å
2222R88.6Confident92Very high53 Ų5323.5 Ų23.520%0.211%0.114CC..  trans-84.5149.8177.3-55179.9-55.6122.818.1110.3S2220 E2224 E2225S2220-R2222 PolarHBondContact O-N 3.05Å; S2220-R2222 VanDerWaalsContact O-N 3.14Å; R2222-E2224 IonicContact CZ-OE2 3.66Å; R2222-E2224 IonicContact NH1-OE2 2.76Å; R2222-E2224 PolarHBondContact NH1-OE2 2.84Å; R2222-E2224 IonicContact NH2-OE2 3.6Å; R2222-E2224 PolarHBondContact NH2-OE2 3.44Å; R2222-E2224 PolarHBondContact O-N 3.36Å; R2222-E2224 VanDerWaalsContact O-N 3.12Å; R2222-E2225 HydrophobicContact CB-CG 4.3Å; R2222-E2225 PolarHBondContact N-OE1 3.02Å; R2222-E2225 IonicContact NE-OE1 2.57Å; R2222-E2225 WeakPolarHBondContact O-CB 3.07Å; R2222-E2225 PolarHBondContact O-N 3.31Å
2223S89.8Confident91.7Very high25 Ų2526.5 Ų26.518%0.17513%0.127CC..G310 helixtrans-54.6-35.2-178.5-48.30000113.3E2225 L2226 Q2393S2223-E2225 VanDerWaalsContact C-N 3.27Å; S2223-E2225 PolarHBondContact O-N 3.42Å; S2223-L2226 PolarHBondContact O-N 3.23Å; S2223-Q2393 PolarHBondContact OG-NE2 3.25Å
2224E87.7Confident91.2Very high38 Ų3833.1 Ų33.118%0.17816%0.162CC..G310 helixtrans-58.9-37.2178.8-53.2-169.1117.400113.1R1002 S2135 R2222 L2226 L2227R1002-E2224 IonicContact CZ-OE1 3.45Å; R1002-E2224 IonicContact NE-OE1 2.72Å; R1002-E2224 PolarHBondContact NE-OE1 3.11Å; R1002-E2224 IonicContact NH2-OE1 2.99Å; R1002-E2224 PolarHBondContact NH2-OE1 2.94Å; S2135-E2224 PolarHBondContact OG-OE1 3.12Å; R2222-E2224 IonicContact CZ-OE2 3.66Å; R2222-E2224 IonicContact NH1-OE2 2.76Å; R2222-E2224 PolarHBondContact NH1-OE2 2.84Å; R2222-E2224 IonicContact NH2-OE2 3.6Å; R2222-E2224 PolarHBondContact NH2-OE2 3.44Å; R2222-E2224 PolarHBondContact O-N 3.36Å; R2222-E2224 VanDerWaalsContact O-N 3.12Å; E2224-L2226 PolarHBondContact O-N 3.45Å; E2224-L2227 PolarHBondContact O-N 3.02Å; E2224-L2227 VanDerWaalsContact O-N 3.14Å
2225E93.1Very high90.9Very high0 Ų035.5 Ų35.50%017%0.174CC..G310 helixtrans-66-25.9-177.9-54.4-178.1-127.800111.3I2221 R2222 S2223 K2239 A2240 K2241 H2242 V2243I2221-E2225 HydrophobicContact CG2-CB 4.48Å; R2222-E2225 HydrophobicContact CB-CG 4.3Å; R2222-E2225 PolarHBondContact N-OE1 3.02Å; R2222-E2225 IonicContact NE-OE1 2.57Å; R2222-E2225 WeakPolarHBondContact O-CB 3.07Å; R2222-E2225 PolarHBondContact O-N 3.31Å; S2223-E2225 VanDerWaalsContact C-N 3.27Å; S2223-E2225 PolarHBondContact O-N 3.42Å; E2225-K2239 WeakPolarHBondContact CA-O 3.25Å; E2225-K2239 WeakPolarHBondContact CG-O 3.41Å; E2225-A2240 HydrophobicContact CB-CB 4.23Å; E2225-A2240 WeakPolarHBondContact OE2-CA 3.49Å; E2225-K2241 PolarHBondContact OE2-N 2.9Å; E2225-H2242 IonicContact OE1-CE1 3.3Å; E2225-H2242 IonicContact OE1-CG 3.71Å; E2225-H2242 IonicContact OE1-ND1 2.7Å; E2225-H2242 PolarHBondContact OE1-ND1 3.39Å; E2225-H2242 WeakPolarHBondContact OE2-CB 3.25Å; E2225-H2242 IonicContact OE2-CG 3.93Å; E2225-H2242 PolarHBondContact OE2-N 3.13Å; E2225-H2242 IonicContact OE2-ND1 3.04Å; E2225-V2243 HydrophobicContact CB-CG2 3.75Å; E2225-V2243 PolarHBondContact OE2-N 2.97Å
2226L93.7Very high90.7Very high4 Ų436.1 Ų36.12%0.02118%0.177CC..G310 helixtrans-92.71179.5-58.4178.1000113.6I2221 S2223 E2224 V2243 L2358 L2361 I2389 V2392I2221-L2226 HydrophobicContact CG2-CD1 4.05Å; I2221-L2226 HydrophobicContact CG2-CD2 4.11Å; I2221-L2226 HydrophobicContact CG2-CG 3.93Å; S2223-L2226 PolarHBondContact O-N 3.23Å; E2224-L2226 PolarHBondContact O-N 3.45Å; L2226-V2243 HydrophobicContact CD2-CG2 3.91Å; L2226-L2358 HydrophobicContact CD2-CD2 3.64Å; L2226-L2361 HydrophobicContact CB-CD1 4.13Å; L2226-L2361 HydrophobicContact CD2-CD1 4.41Å; L2226-I2389 HydrophobicContact CB-CD1 3.91Å; L2226-I2389 HydrophobicContact CB-CG1 4Å; L2226-I2389 HydrophobicContact CD1-CG1 4.34Å; L2226-I2389 HydrophobicContact CD1-CG2 4.36Å; L2226-V2392 HydrophobicContact CD1-CG1 4.24Å
2227L91.8Very high90.5Very high6 Ų641.2 Ų41.23%0.03120%0.201CC..SBendtrans-100.3145.8178.8-68.5173.4000112.6L999 T1000 V1003 E2224 Q2229 S2230 I2385 I2389L999-L2227 WeakPolarHBondContact O-CD1 3.45Å; T1000-L2227 HydrophobicContact CG2-CD2 4.35Å; V1003-L2227 HydrophobicContact CG2-CD2 4.33Å; E2224-L2227 PolarHBondContact O-N 3.02Å; E2224-L2227 VanDerWaalsContact O-N 3.14Å; L2227-Q2229 PolarHBondContact O-N 2.96Å; L2227-S2230 WeakPolarHBondContact O-CB 3.44Å; L2227-S2230 PolarHBondContact O-N 3.37Å; L2227-S2230 PolarHBondContact O-OG 2.91Å; L2227-I2385 HydrophobicContact CD2-CG2 3.78Å; L2227-I2389 HydrophobicContact CD2-CD1 3.65Å; L2227-I2389 HydrophobicContact CG-CD1 4.16Å
2228N88.9Confident90.2Very high42 Ų4248.5 Ų48.523%0.22524%0.235CC..THydrogen-bonded Turntrans52.633.8177.8-65.8-54.7000112.9V1003 S2230 K2233 E2365V1003-N2228 WeakPolarHBondContact CG1-OD1 3.4Å; N2228-S2230 PolarHBondContact O-N 2.71Å; N2228-S2230 VanDerWaalsContact O-N 3.17Å; N2228-K2233 WeakPolarHBondContact O-CE 3.44Å; N2228-K2233 PolarHBondContact O-NZ 2.71Å; N2228-E2365 WeakPolarHBondContact CA-OE1 3.42Å; N2228-E2365 WeakPolarHBondContact CA-OE2 3.37Å; N2228-E2365 PolarHBondContact N-OE1 2.81Å
2229Q90.5Very high89.7Confident28 Ų2853 Ų5313%0.13125%0.254CS..THydrogen-bonded Turntrans44.745.2-173.9-72.4162.7103.500113.8L2227 W2231 M2232 S2362 E2365L2227-Q2229 PolarHBondContact O-N 2.96Å; Q2229-W2231 HydrophobicContact CB-CH2 4.26Å; Q2229-W2231 HydrophobicContact CB-CZ2 4.31Å; Q2229-W2231 HydrophobicContact CG-CH2 3.74Å; Q2229-W2231 HydrophobicContact CG-CZ2 3.8Å; Q2229-W2231 HydrophobicContact CG-CZ3 4.42Å; Q2229-W2231 PolarHBondContact O-N 3.23Å; Q2229-W2231 VanDerWaalsContact O-N 3.09Å; Q2229-M2232 HydrophobicContact CB-CB 4.31Å; Q2229-M2232 HydrophobicContact CB-CG 4.29Å; Q2229-M2232 HydrophobicContact CB-SD 4.19Å; Q2229-M2232 HydrophobicContact CG-SD 4.15Å; Q2229-M2232 PolarHBondContact O-N 2.88Å; Q2229-M2232 PolarHBondContact OE1-SD 3.15Å; Q2229-M2232 VanDerWaalsContact OE1-SD 3.36Å; Q2229-S2362 PolarHBondContact OE1-OG 3.29Å; Q2229-E2365 HydrophobicContact CG-CB 4.34Å; Q2229-E2365 VanDerWaalsContact CG-OE2 3.32Å; Q2229-E2365 WeakPolarHBondContact CG-OE2 3.2Å; Q2229-E2365 PolarHBondContact N-OE1 3.42Å; Q2229-E2365 VanDerWaalsContact N-OE1 3.13Å; Q2229-E2365 PolarHBondContact N-OE2 2.91Å; Q2229-E2365 PolarHBondContact NE2-OE2 3.3Å
2230S90.2Very high89.8Confident11 Ų1149.1 Ų49.18%0.07724%0.24CC..G310 helixtrans-61.9-22.8-173.4-63.70000113.7L2227 N2228 M2232 K2233 K2236L2227-S2230 WeakPolarHBondContact O-CB 3.44Å; L2227-S2230 PolarHBondContact O-N 3.37Å; L2227-S2230 PolarHBondContact O-OG 2.91Å; N2228-S2230 PolarHBondContact O-N 2.71Å; N2228-S2230 VanDerWaalsContact O-N 3.17Å; S2230-M2232 VanDerWaalsContact C-N 3.26Å; S2230-M2232 PolarHBondContact O-N 3.05Å; S2230-K2233 PolarHBondContact OG-NZ 2.96Å; S2230-K2236 VanDerWaalsContact O-CA 3.32Å; S2230-K2236 WeakPolarHBondContact O-CA 3.28Å; S2230-K2236 VanDerWaalsContact O-CB 3.24Å; S2230-K2236 WeakPolarHBondContact O-CB 3.46Å
2231W92Very high89.9Confident6 Ų653.2 Ų53.22%0.02325%0.254CS..G310 helixtrans-69.9-13.2171.170.687.3000115.1V1829 Q2229 A2240 V2243 L2358 L2361V1829-W2231 VanDerWaalsContact CG1-CD1 3.46Å; Q2229-W2231 HydrophobicContact CB-CH2 4.26Å; Q2229-W2231 HydrophobicContact CB-CZ2 4.31Å; Q2229-W2231 HydrophobicContact CG-CH2 3.74Å; Q2229-W2231 HydrophobicContact CG-CZ2 3.8Å; Q2229-W2231 HydrophobicContact CG-CZ3 4.42Å; Q2229-W2231 PolarHBondContact O-N 3.23Å; Q2229-W2231 VanDerWaalsContact O-N 3.09Å; W2231-A2240 HydrophobicContact CB-CB 3.8Å; W2231-V2243 HydrophobicContact CB-CB 4.38Å; W2231-V2243 HydrophobicContact CB-CG1 3.79Å; W2231-V2243 HydrophobicContact CG-CG1 4.12Å; W2231-L2358 HydrophobicContact CD2-CD2 3.96Å; W2231-L2358 HydrophobicContact CE3-CD2 4Å; W2231-L2358 HydrophobicContact CH2-CD2 4.02Å; W2231-L2358 HydrophobicContact CZ2-CB 3.86Å; W2231-L2358 HydrophobicContact CZ2-CD2 3.94Å; W2231-L2358 HydrophobicContact CZ2-CG 4.4Å; W2231-L2358 HydrophobicContact CZ3-CD2 4.04Å; W2231-L2361 HydrophobicContact CH2-CB 3.76Å; W2231-L2361 HydrophobicContact CH2-CD1 4.06Å; W2231-L2361 HydrophobicContact CZ2-CB 4.5Å; W2231-L2361 HydrophobicContact CZ3-CD1 4.32Å
2232M88.9Confident89.9Confident108 Ų10853.9 Ų53.953%0.53226%0.257SS..G310 helixtrans-103.2-4.4179.8-58.8-176.258.100113.8Q2229 S2230 S2362Q2229-M2232 HydrophobicContact CB-CB 4.31Å; Q2229-M2232 HydrophobicContact CB-CG 4.29Å; Q2229-M2232 HydrophobicContact CB-SD 4.19Å; Q2229-M2232 HydrophobicContact CG-SD 4.15Å; Q2229-M2232 PolarHBondContact O-N 2.88Å; Q2229-M2232 PolarHBondContact OE1-SD 3.15Å; Q2229-M2232 VanDerWaalsContact OE1-SD 3.36Å; S2230-M2232 VanDerWaalsContact C-N 3.26Å; S2230-M2232 PolarHBondContact O-N 3.05Å; M2232-S2362 PolarHBondContact SD-OG 2.87Å; M2232-S2362 VanDerWaalsContact SD-OG 3.39Å
2233K88.8Confident90.3Very high81 Ų8151.4 Ų51.435%0.35225%0.248SC..SBendtrans-87.1175-179.4-64.8178.9-173.1141.30112.1N2228 S2230 D2235 K2236N2228-K2233 WeakPolarHBondContact O-CE 3.44Å; N2228-K2233 PolarHBondContact O-NZ 2.71Å; S2230-K2233 PolarHBondContact OG-NZ 2.96Å; K2233-D2235 WeakPolarHBondContact CB-OD1 3.48Å; K2233-K2236 VanDerWaalsContact O-CB 3.29Å; K2233-K2236 WeakPolarHBondContact O-CB 3.49Å; K2233-K2236 WeakPolarHBondContact O-CD 3Å; K2233-K2236 WeakPolarHBondContact O-CG 2.97Å
2234L86Confident90.5Very high140 Ų14051.7 Ų51.773%0.73325%0.247SC*.THydrogen-bonded Turntrans-68.7-36.1175.5-57.4175.7000111.8K2236L2234-K2236 VanDerWaalsContact C-N 3.27Å; L2234-K2236 PolarHBondContact O-N 2.68Å
2235D89.1Confident90.8Very high55 Ų5551.9 Ų51.929%0.29425%0.249SC..THydrogen-bonded Turntrans-85.412.9179.955.2-4.8000114.2K2233 E2237 E2238 K2239K2233-D2235 WeakPolarHBondContact CB-OD1 3.48Å; D2235-E2237 PolarHBondContact O-N 2.96Å; D2235-E2238 PolarHBondContact O-N 3.3Å; D2235-K2239 HydrophobicContact CB-CD 4.31Å; D2235-K2239 WeakPolarHBondContact O-CB 2.94Å; D2235-K2239 PolarHBondContact O-N 3.18Å; D2235-K2239 WeakPolarHBondContact OD2-CD 3.41Å; D2235-K2239 VanDerWaalsContact OD2-CE 3.27Å; D2235-K2239 WeakPolarHBondContact OD2-CE 3.25Å; D2235-K2239 IonicContact OD2-NZ 2.73Å; D2235-K2239 PolarHBondContact OD2-NZ 3.07Å
2236K91.1Very high90.9Very high17 Ų1752.4 Ų52.47%0.07425%0.252CS..Hα-helixtrans-55.6-28.9179.763.1179.9-176.2172.10115.1W1832 S2230 K2233 L2234 E2238 A2240 L2244W1832-K2236 PolarHBondContact O-NZ 3.3Å; S2230-K2236 VanDerWaalsContact O-CA 3.32Å; S2230-K2236 WeakPolarHBondContact O-CA 3.28Å; S2230-K2236 VanDerWaalsContact O-CB 3.24Å; S2230-K2236 WeakPolarHBondContact O-CB 3.46Å; K2233-K2236 VanDerWaalsContact O-CB 3.29Å; K2233-K2236 WeakPolarHBondContact O-CB 3.49Å; K2233-K2236 WeakPolarHBondContact O-CD 3Å; K2233-K2236 WeakPolarHBondContact O-CG 2.97Å; L2234-K2236 VanDerWaalsContact C-N 3.27Å; L2234-K2236 PolarHBondContact O-N 2.68Å; K2236-E2238 VanDerWaalsContact C-N 3.33Å; K2236-A2240 CarbonylContact O-C 3.55Å; K2236-A2240 WeakPolarHBondContact O-CA 3.32Å; K2236-A2240 WeakPolarHBondContact O-CB 3.42Å; K2236-A2240 PolarHBondContact O-N 3.1Å; K2236-L2244 HydrophobicContact CB-CD1 4.22Å; K2236-L2244 HydrophobicContact CD-CD1 4.32Å; K2236-L2244 HydrophobicContact CD-CD2 4.38Å; K2236-L2244 HydrophobicContact CG-CD1 4.02Å; K2236-L2244 WeakPolarHBondContact O-CD1 3.23Å
2237E88.2Confident90.9Very high126 Ų12652.9 Ų52.959%0.58926%0.256SS*.Hα-helixtrans-75.2-29.2-173.8-58.8-168.7179.100111.2D2235 L2244D2235-E2237 PolarHBondContact O-N 2.96Å; E2237-L2244 HydrophobicContact CG-CD1 4.04Å
2238E86.6Confident91Very high156 Ų15657.6 Ų57.673%0.72928%0.276SS*.Hα-helixtrans-83.1-50.2167.7-174.2-175.6-173.900110.9D2235 K2236D2235-E2238 PolarHBondContact O-N 3.3Å; K2236-E2238 VanDerWaalsContact C-N 3.33Å
2239K85.6Confident91.3Very high97 Ų9756 Ų5642%0.42227%0.267SS..Hα-helixtrans-86.3-8.5-167.6-65.6-173.6-176.1165.80116.2E2225 D2235E2225-K2239 WeakPolarHBondContact CA-O 3.25Å; E2225-K2239 WeakPolarHBondContact CG-O 3.41Å; D2235-K2239 HydrophobicContact CB-CD 4.31Å; D2235-K2239 WeakPolarHBondContact O-CB 2.94Å; D2235-K2239 PolarHBondContact O-N 3.18Å; D2235-K2239 WeakPolarHBondContact OD2-CD 3.41Å; D2235-K2239 VanDerWaalsContact OD2-CE 3.27Å; D2235-K2239 WeakPolarHBondContact OD2-CE 3.25Å; D2235-K2239 IonicContact OD2-NZ 2.73Å; D2235-K2239 PolarHBondContact OD2-NZ 3.07Å
2240A92.5Very high91.6Very high0 Ų055.7 Ų55.70%027%0.265CS..THydrogen-bonded Turntrans-145.635.1-177.800000112.8E2225 W2231 K2236 H2242 V2243 L2244E2225-A2240 HydrophobicContact CB-CB 4.23Å; E2225-A2240 WeakPolarHBondContact OE2-CA 3.49Å; W2231-A2240 HydrophobicContact CB-CB 3.8Å; K2236-A2240 CarbonylContact O-C 3.55Å; K2236-A2240 WeakPolarHBondContact O-CA 3.32Å; K2236-A2240 WeakPolarHBondContact O-CB 3.42Å; K2236-A2240 PolarHBondContact O-N 3.1Å; A2240-H2242 VanDerWaalsContact C-N 3.31Å; A2240-H2242 PolarHBondContact O-N 2.97Å; A2240-V2243 HydrophobicContact CB-CB 4.31Å; A2240-V2243 PolarHBondContact O-N 2.66Å; A2240-L2244 WeakPolarHBondContact O-CG 3.3Å; A2240-L2244 PolarHBondContact O-N 3.03Å
2241K92.3Very high91.8Very high116 Ų11658.2 Ų58.250%0.50428%0.278SS..Hα-helixtrans-54.9-39.4-171.873.3176.2-168.3164.60114.1E2225 L2245E2225-K2241 PolarHBondContact OE2-N 2.9Å; K2241-L2245 VanDerWaalsContact O-CB 3.32Å; K2241-L2245 WeakPolarHBondContact O-CB 3.43Å; K2241-L2245 PolarHBondContact O-N 3Å
2242H93.4Very high91.9Very high23 Ų2360.3 Ų60.311%0.10629%0.288CS..Hα-helixtrans-80.7-33-178-53.5116000111.9S2220 I2221 E2225 A2240 L2244 L2245 V2246S2220-H2242 PolarHBondContact O-CE1 3.18Å; S2220-H2242 VanDerWaalsContact O-CE1 3.28Å; S2220-H2242 PolarHBondContact O-ND1 3.17Å; I2221-H2242 HydrophobicContact CB-CB 4.49Å; I2221-H2242 HydrophobicContact CG1-CB 3.9Å; E2225-H2242 IonicContact OE1-CE1 3.3Å; E2225-H2242 IonicContact OE1-CG 3.71Å; E2225-H2242 IonicContact OE1-ND1 2.7Å; E2225-H2242 PolarHBondContact OE1-ND1 3.39Å; E2225-H2242 WeakPolarHBondContact OE2-CB 3.25Å; E2225-H2242 IonicContact OE2-CG 3.93Å; E2225-H2242 PolarHBondContact OE2-N 3.13Å; E2225-H2242 IonicContact OE2-ND1 3.04Å; A2240-H2242 VanDerWaalsContact C-N 3.31Å; A2240-H2242 PolarHBondContact O-N 2.97Å; H2242-L2244 VanDerWaalsContact C-N 3.33Å; H2242-L2245 PolarHBondContact O-N 3.14Å; H2242-V2246 PolarHBondContact O-N 3.02Å
2243V95.7Very high92.2Very high1 Ų155.1 Ų55.11%0.00626%0.262CS..Hα-helixtrans-61.2-44.3172178.20000110.4I2221 E2225 L2226 W2231 A2240 L2245 C2247 L2354 L2358I2221-V2243 HydrophobicContact CG1-CG2 4.46Å; I2221-V2243 HydrophobicContact CG2-CG2 3.77Å; E2225-V2243 HydrophobicContact CB-CG2 3.75Å; E2225-V2243 PolarHBondContact OE2-N 2.97Å; L2226-V2243 HydrophobicContact CD2-CG2 3.91Å; W2231-V2243 HydrophobicContact CB-CB 4.38Å; W2231-V2243 HydrophobicContact CB-CG1 3.79Å; W2231-V2243 HydrophobicContact CG-CG1 4.12Å; A2240-V2243 HydrophobicContact CB-CB 4.31Å; A2240-V2243 PolarHBondContact O-N 2.66Å; V2243-L2245 VanDerWaalsContact C-N 3.34Å; V2243-C2247 PolarHBondContact O-N 2.99Å; V2243-L2354 HydrophobicContact CG1-CD2 4.05Å; V2243-L2358 HydrophobicContact CG1-CD1 3.82Å; V2243-L2358 HydrophobicContact CG1-CD2 4.18Å
2244L94.6Very high92.6Very high31 Ų3152 Ų5216%0.16225%0.25CS..Hα-helixtrans-64.9-37.7173.3-66173.7000111.9V1830 K2236 E2237 A2240 H2242 C2247 K2248V1830-L2244 HydrophobicContact CG2-CD2 4.05Å; K2236-L2244 HydrophobicContact CB-CD1 4.22Å; K2236-L2244 HydrophobicContact CD-CD1 4.32Å; K2236-L2244 HydrophobicContact CD-CD2 4.38Å; K2236-L2244 HydrophobicContact CG-CD1 4.02Å; K2236-L2244 WeakPolarHBondContact O-CD1 3.23Å; E2237-L2244 HydrophobicContact CG-CD1 4.04Å; A2240-L2244 WeakPolarHBondContact O-CG 3.3Å; A2240-L2244 PolarHBondContact O-N 3.03Å; H2242-L2244 VanDerWaalsContact C-N 3.33Å; L2244-C2247 PolarHBondContact O-N 3.24Å; L2244-K2248 VanDerWaalsContact O-CB 3.28Å; L2244-K2248 WeakPolarHBondContact O-CB 3.22Å; L2244-K2248 PolarHBondContact O-N 2.84Å
2245L94.4Very high93Very high42 Ų4249 Ų4922%0.2223%0.23CC..Hα-helixtrans-67.6-41.2179.1-171.756.5000113L2183 L2187 I2217 K2241 H2242 V2243 C2247 K2248 R2249L2183-L2245 HydrophobicContact CD2-CD2 4.22Å; L2187-L2245 HydrophobicContact CD1-CD2 3.81Å; L2187-L2245 HydrophobicContact CD1-CG 4.45Å; I2217-L2245 HydrophobicContact CD1-CG 4.5Å; I2217-L2245 HydrophobicContact CG2-CB 3.94Å; I2217-L2245 HydrophobicContact CG2-CD2 3.98Å; I2217-L2245 HydrophobicContact CG2-CG 3.7Å; K2241-L2245 VanDerWaalsContact O-CB 3.32Å; K2241-L2245 WeakPolarHBondContact O-CB 3.43Å; K2241-L2245 PolarHBondContact O-N 3Å; H2242-L2245 PolarHBondContact O-N 3.14Å; V2243-L2245 VanDerWaalsContact C-N 3.34Å; L2245-C2247 VanDerWaalsContact C-N 3.33Å; L2245-C2247 PolarHBondContact O-N 3.29Å; L2245-K2248 HydrophobicContact CD1-CD 4.5Å; L2245-K2248 PolarHBondContact O-N 3.24Å; L2245-R2249 VanDerWaalsContact O-CB 3.24Å; L2245-R2249 WeakPolarHBondContact O-CB 3.31Å; L2245-R2249 PolarHBondContact O-N 3.11Å
2246V94.6Very high93.4Very high10 Ų1046.6 Ų46.66%0.06122%0.217CC..Hα-helixtrans-57.9-47.7172.2168.10000110.5I2217 I2221 H2242 R2249 F2250 L2354I2217-V2246 HydrophobicContact CB-CG2 4.15Å; I2217-V2246 HydrophobicContact CG2-CB 4.33Å; I2217-V2246 HydrophobicContact CG2-CG2 3.46Å; I2217-V2246 VanDerWaalsContact CG2-CG2 3.46Å; I2221-V2246 HydrophobicContact CD1-CG2 3.88Å; I2221-V2246 HydrophobicContact CG1-CG2 4.42Å; H2242-V2246 PolarHBondContact O-N 3.02Å; V2246-R2249 PolarHBondContact O-N 2.73Å; V2246-F2250 WeakPolarHBondContact O-CB 3.35Å; V2246-F2250 PolarHBondContact O-N 3.45Å; V2246-L2354 HydrophobicContact CB-CD2 4.15Å; V2246-L2354 HydrophobicContact CG1-CB 4.22Å; V2246-L2354 HydrophobicContact CG1-CD2 4.09Å; V2246-L2354 HydrophobicContact CG2-CD2 4.45Å
2247C94.6Very high93.7Very high14 Ų1445.8 Ų45.810%0.09521%0.213CC..Hα-helixtrans-75-30.4-175.8-65.70000112.8V1829 V1830 V2243 L2244 L2245 N2251V1829-C2247 WeakPolarHBondContact O-CB 3.34Å; V1829-C2247 PolarHBondContact O-SG 2.96Å; V1829-C2247 VanDerWaalsContact O-SG 3.38Å; V1830-C2247 HydrophobicContact CB-CB 3.78Å; V1830-C2247 HydrophobicContact CG2-CB 3.41Å; V1830-C2247 VanDerWaalsContact CG2-CB 3.41Å; V2243-C2247 PolarHBondContact O-N 2.99Å; L2244-C2247 PolarHBondContact O-N 3.24Å; L2245-C2247 VanDerWaalsContact C-N 3.33Å; L2245-C2247 PolarHBondContact O-N 3.29Å; C2247-N2251 PolarHBondContact O-N 2.97Å; C2247-N2251 PolarHBondContact O-ND2 2.79Å
2248K93.8Very high94.1Very high105 Ų10540 Ų4046%0.45719%0.186SC..Hα-helixtrans-61.4-53166.4176.5-175.5167-174.80110.2L2244 L2245 F2250 N2251 E2252L2244-K2248 VanDerWaalsContact O-CB 3.28Å; L2244-K2248 WeakPolarHBondContact O-CB 3.22Å; L2244-K2248 PolarHBondContact O-N 2.84Å; L2245-K2248 HydrophobicContact CD1-CD 4.5Å; L2245-K2248 PolarHBondContact O-N 3.24Å; K2248-F2250 VanDerWaalsContact C-N 3.32Å; K2248-F2250 PolarHBondContact O-N 2.85Å; K2248-N2251 PolarHBondContact O-N 3.49Å; K2248-N2251 VanDerWaalsContact O-N 3.11Å; K2248-E2252 VanDerWaalsContact CE-CD 3.44Å; K2248-E2252 WeakPolarHBondContact CE-OE1 3.36Å; K2248-E2252 WeakPolarHBondContact CE-OE2 3.38Å; K2248-E2252 HydrophobicContact CG-CG 4.42Å; K2248-E2252 IonicContact NZ-OE1 2.67Å; K2248-E2252 WeakPolarHBondContact O-CG 3.36Å; K2248-E2252 PolarHBondContact O-N 3.35Å
2249R94.6Very high94.6Very high9 Ų932.5 Ų32.53%0.03415%0.151CC..Hα-helixtrans-56.6-44.4179.4177.964.6-174.1158.31.6111.9D2214 I2217 L2245 V2246 N2251 E2252 V2253 L2412D2214-R2249 IonicContact OD1-NE 2.73Å; I2217-R2249 HydrophobicContact CD1-CB 3.92Å; I2217-R2249 HydrophobicContact CD1-CG 3.75Å; L2245-R2249 VanDerWaalsContact O-CB 3.24Å; L2245-R2249 WeakPolarHBondContact O-CB 3.31Å; L2245-R2249 PolarHBondContact O-N 3.11Å; V2246-R2249 PolarHBondContact O-N 2.73Å; R2249-N2251 VanDerWaalsContact C-N 3.34Å; R2249-N2251 PolarHBondContact O-N 3.49Å; R2249-E2252 PolarHBondContact O-N 3.27Å; R2249-V2253 HydrophobicContact CG-CG2 4.47Å; R2249-V2253 WeakPolarHBondContact O-CG2 3.28Å; R2249-V2253 PolarHBondContact O-N 3.03Å; R2249-L2412 PolarHBondContact NH1-O 2.96Å; R2249-L2412 PolarHBondContact NH2-O 3.07Å
2250F96.4Very high95Very high21 Ų2128.6 Ų28.69%0.09213%0.134CC..Hα-helixtrans-55.5-47.7175.9179.2-79.2000111.9V2246 K2248 S2254 L2294 Q2295 Y2353V2246-F2250 WeakPolarHBondContact O-CB 3.35Å; V2246-F2250 PolarHBondContact O-N 3.45Å; K2248-F2250 VanDerWaalsContact C-N 3.32Å; K2248-F2250 PolarHBondContact O-N 2.85Å; F2250-S2254 WeakPolarHBondContact O-CB 3.39Å; F2250-S2254 PolarHBondContact O-N 2.95Å; F2250-L2294 HydrophobicContact CE2-CB 4.21Å; F2250-L2294 HydrophobicContact CE2-CD2 4.22Å; F2250-L2294 HydrophobicContact CE2-CG 3.97Å; F2250-L2294 HydrophobicContact CZ-CD2 4.34Å; F2250-L2294 HydrophobicContact CZ-CG 3.96Å; F2250-Q2295 HydrophobicContact CB-CG 4.34Å; F2250-Q2295 HydrophobicContact CD2-CB 4.5Å; F2250-Q2295 HydrophobicContact CD2-CG 3.37Å; F2250-Q2295 HydrophobicContact CE2-CB 4.4Å; F2250-Q2295 HydrophobicContact CE2-CG 3.69Å; F2250-Q2295 HydrophobicContact CG-CG 3.88Å; F2250-Q2295 HydrophobicContact CZ-CG 4.42Å; F2250-Y2353 HydrophobicContact CD2-CD2 4.3Å; F2250-Y2353 HydrophobicContact CD2-CE2 4.32Å; F2250-Y2353 HydrophobicContact CE2-CD2 4.01Å; F2250-Y2353 HydrophobicContact CE2-CE2 4.01Å; F2250-Y2353 HydrophobicContact CZ-CE2 4.35Å
2251N93.9Very high95.2Very high65 Ų6528.6 Ų28.635%0.34813%0.134SC..Hα-helixtrans-68.2-37.9178.3-71.1-21.2000112V1830 C2247 K2248 R2249 S2254 R2255V1830-N2251 VanDerWaalsContact CG1-ND2 3.35Å; V1830-N2251 WeakPolarHBondContact CG1-ND2 3.4Å; C2247-N2251 PolarHBondContact O-N 2.97Å; C2247-N2251 PolarHBondContact O-ND2 2.79Å; K2248-N2251 PolarHBondContact O-N 3.49Å; K2248-N2251 VanDerWaalsContact O-N 3.11Å; R2249-N2251 VanDerWaalsContact C-N 3.34Å; R2249-N2251 PolarHBondContact O-N 3.49Å; N2251-S2254 PolarHBondContact O-N 2.64Å; N2251-R2255 VanDerWaalsContact O-CB 3.24Å; N2251-R2255 WeakPolarHBondContact O-CB 3.39Å; N2251-R2255 PolarHBondContact O-N 2.78Å
2252E94.7Very high95.4Very high49 Ų4923.2 Ų23.223%0.22911%0.111CC..Hα-helixtrans-65.9-42.7177.3-73.5172.9154.400112.5K2248 R2249 R2255 L2256 L2418K2248-E2252 VanDerWaalsContact CE-CD 3.44Å; K2248-E2252 WeakPolarHBondContact CE-OE1 3.36Å; K2248-E2252 WeakPolarHBondContact CE-OE2 3.38Å; K2248-E2252 HydrophobicContact CG-CG 4.42Å; K2248-E2252 IonicContact NZ-OE1 2.67Å; K2248-E2252 WeakPolarHBondContact O-CG 3.36Å; K2248-E2252 PolarHBondContact O-N 3.35Å; R2249-E2252 PolarHBondContact O-N 3.27Å; E2252-R2255 PolarHBondContact O-N 3.15Å; E2252-L2256 WeakPolarHBondContact O-CB 3.45Å; E2252-L2256 PolarHBondContact O-N 2.81Å; E2252-L2418 HydrophobicContact CG-CD1 4.46Å
2253V96.3Very high95.4Very high0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-67.2-43.4175.2179.30000110.9L2210 R2249 R2255 L2256 V2257 Q2295L2210-V2253 HydrophobicContact CD1-CG1 4.03Å; L2210-V2253 HydrophobicContact CD1-CG2 3.73Å; L2210-V2253 HydrophobicContact CD2-CG1 4.27Å; R2249-V2253 HydrophobicContact CG-CG2 4.47Å; R2249-V2253 WeakPolarHBondContact O-CG2 3.28Å; R2249-V2253 PolarHBondContact O-N 3.03Å; V2253-R2255 VanDerWaalsContact C-N 3.26Å; V2253-R2255 PolarHBondContact O-N 3.49Å; V2253-L2256 WeakPolarHBondContact O-CB 3.48Å; V2253-L2256 PolarHBondContact O-N 2.72Å; V2253-V2257 WeakPolarHBondContact O-CG2 3.46Å; V2253-V2257 PolarHBondContact O-N 3.03Å; V2253-Q2295 HydrophobicContact CB-CB 4.47Å; V2253-Q2295 HydrophobicContact CB-CG 4.39Å; V2253-Q2295 HydrophobicContact CG1-CB 4.21Å; V2253-Q2295 VanDerWaalsContact CG1-OE1 3.24Å
2254S96.3Very high95.3Very high15 Ų1527.5 Ų27.511%0.10514%0.137CC..Hα-helixtrans-58.1-40.7174-175.50000111.6F2250 N2251 V2257 V2258 A2299F2250-S2254 WeakPolarHBondContact O-CB 3.39Å; F2250-S2254 PolarHBondContact O-N 2.95Å; N2251-S2254 PolarHBondContact O-N 2.64Å; S2254-V2257 PolarHBondContact O-N 2.8Å; S2254-V2258 WeakPolarHBondContact O-CG2 3.29Å; S2254-V2258 PolarHBondContact O-N 2.89Å; S2254-V2258 VanDerWaalsContact O-N 3.09Å; S2254-A2299 WeakPolarHBondContact O-CB 3.11Å
2255R95.4Very high95.1Very high78 Ų7831.7 Ų31.729%0.29416%0.164SC..Hα-helixtrans-69.1-36176-172.6163.568.2144.9-4.4113N2251 E2252 V2253 V2258 S2259 L2418 L2419 D2420N2251-R2255 VanDerWaalsContact O-CB 3.24Å; N2251-R2255 WeakPolarHBondContact O-CB 3.39Å; N2251-R2255 PolarHBondContact O-N 2.78Å; E2252-R2255 PolarHBondContact O-N 3.15Å; V2253-R2255 VanDerWaalsContact C-N 3.26Å; V2253-R2255 PolarHBondContact O-N 3.49Å; R2255-V2258 PolarHBondContact O-N 2.92Å; R2255-S2259 VanDerWaalsContact O-CB 3.28Å; R2255-S2259 WeakPolarHBondContact O-CB 3.39Å; R2255-S2259 PolarHBondContact O-N 2.84Å; R2255-S2259 PolarHBondContact O-OG 3Å; R2255-L2418 HydrophobicContact CB-CD2 4.46Å; R2255-L2418 HydrophobicContact CG-CD2 4.41Å; R2255-L2419 VanDerWaalsContact CD-O 3.26Å; R2255-L2419 WeakPolarHBondContact CD-O 3.47Å; R2255-L2419 WeakPolarHBondContact CG-O 3.49Å; R2255-D2420 IonicContact NH1-OD1 3.89Å; R2255-D2420 PolarHBondContact NH1-OD1 2.86Å
2256L95.9Very high95.1Very high4 Ų433 Ų332%0.02117%0.171CC..Hα-helixtrans-61.6-48.5173.2-178.862.8000110.9E2252 V2253 V2258 S2259 E2260 Y2411 L2412 R2417 L2418E2252-L2256 WeakPolarHBondContact O-CB 3.45Å; E2252-L2256 PolarHBondContact O-N 2.81Å; V2253-L2256 WeakPolarHBondContact O-CB 3.48Å; V2253-L2256 PolarHBondContact O-N 2.72Å; L2256-V2258 PolarHBondContact O-N 2.85Å; L2256-S2259 PolarHBondContact O-N 2.89Å; L2256-E2260 WeakPolarHBondContact O-CB 3.23Å; L2256-E2260 PolarHBondContact O-N 2.69Å; L2256-Y2411 HydrophobicContact CD2-CE1 4.34Å; L2256-L2412 HydrophobicContact CD2-CD2 4.19Å; L2256-R2417 HydrophobicContact CD1-CB 3.98Å; L2256-L2418 HydrophobicContact CB-CD2 3.76Å; L2256-L2418 HydrophobicContact CD1-CD2 4.16Å
2257V97.4Very high95.1Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-60.6-45.6177.9177.30000111.2V2253 S2254 S2259 I2261 W2277 I2296 A2299V2253-V2257 WeakPolarHBondContact O-CG2 3.46Å; V2253-V2257 PolarHBondContact O-N 3.03Å; S2254-V2257 PolarHBondContact O-N 2.8Å; V2257-S2259 PolarHBondContact O-N 3.34Å; V2257-I2261 HydrophobicContact CG1-CD1 3.86Å; V2257-I2261 WeakPolarHBondContact O-CD1 3.45Å; V2257-I2261 VanDerWaalsContact O-CG1 3.29Å; V2257-I2261 WeakPolarHBondContact O-CG1 3.27Å; V2257-I2261 PolarHBondContact O-N 3.25Å; V2257-I2261 VanDerWaalsContact O-N 3.11Å; V2257-W2277 HydrophobicContact CB-CD2 4.39Å; V2257-W2277 HydrophobicContact CG1-CB 4.43Å; V2257-W2277 HydrophobicContact CG1-CD2 3.99Å; V2257-W2277 HydrophobicContact CG1-CG 3.91Å; V2257-W2277 HydrophobicContact CG2-CD2 3.8Å; V2257-W2277 HydrophobicContact CG2-CE3 3.71Å; V2257-W2277 HydrophobicContact CG2-CH2 3.79Å; V2257-W2277 HydrophobicContact CG2-CZ2 3.87Å; V2257-W2277 HydrophobicContact CG2-CZ3 3.71Å; V2257-I2296 HydrophobicContact CG2-CG1 4.22Å; V2257-A2299 HydrophobicContact CB-CB 3.54Å; V2257-A2299 HydrophobicContact CG1-CB 3.46Å; V2257-A2299 VanDerWaalsContact CG1-CB 3.46Å; V2257-A2299 HydrophobicContact CG2-CB 4.41Å
2258V97.7Very high95.1Very high3 Ų337.3 Ų37.32%0.01819%0.193CC..Hα-helixtrans-60.4-44.3175.4170.70000111.3S2254 R2255 L2256 I2262 A2299 N2302 V2305 T2424S2254-V2258 WeakPolarHBondContact O-CG2 3.29Å; S2254-V2258 PolarHBondContact O-N 2.89Å; S2254-V2258 VanDerWaalsContact O-N 3.09Å; R2255-V2258 PolarHBondContact O-N 2.92Å; L2256-V2258 PolarHBondContact O-N 2.85Å; V2258-I2262 HydrophobicContact CG1-CD1 3.61Å; V2258-I2262 VanDerWaalsContact O-CB 3.32Å; V2258-I2262 WeakPolarHBondContact O-CB 3.24Å; V2258-I2262 WeakPolarHBondContact O-CD1 3.35Å; V2258-I2262 VanDerWaalsContact O-CG1 3.27Å; V2258-I2262 WeakPolarHBondContact O-CG1 3.49Å; V2258-I2262 PolarHBondContact O-N 3.37Å; V2258-A2299 HydrophobicContact CG2-CB 3.85Å; V2258-N2302 HydrophobicContact CG2-CB 3.74Å; V2258-V2305 HydrophobicContact CB-CG2 4.33Å; V2258-V2305 HydrophobicContact CG1-CG2 4.14Å; V2258-V2305 HydrophobicContact CG2-CG2 4.03Å; V2258-T2424 HydrophobicContact CG1-CG2 3.7Å
2259S96.3Very high95.2Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-68.8-41.8-178.4-55.90000112.4R2255 L2256 V2257 I2262 S2263 R2417 L2419R2255-S2259 VanDerWaalsContact O-CB 3.28Å; R2255-S2259 WeakPolarHBondContact O-CB 3.39Å; R2255-S2259 PolarHBondContact O-N 2.84Å; R2255-S2259 PolarHBondContact O-OG 3Å; L2256-S2259 PolarHBondContact O-N 2.89Å; V2257-S2259 PolarHBondContact O-N 3.34Å; S2259-I2262 PolarHBondContact O-N 2.75Å; S2259-S2263 VanDerWaalsContact O-CB 3.28Å; S2259-S2263 WeakPolarHBondContact O-CB 3.42Å; S2259-S2263 PolarHBondContact O-N 3Å; S2259-S2263 PolarHBondContact O-OG 2.75Å; S2259-R2417 WeakPolarHBondContact CB-O 3.5Å; S2259-L2419 PolarHBondContact OG-N 2.72Å
2260E95.3Very high95.3Very high15 Ų1535.8 Ų35.87%0.0719%0.19CC..Hα-helixtrans-65.1-41.4178.4-17270.6-119.900111.4F2198 L2256 R2264 Y2411F2198-E2260 VanDerWaalsContact CB-CD 3.42Å; F2198-E2260 HydrophobicContact CB-CG 4.1Å; F2198-E2260 WeakPolarHBondContact CB-OE2 3.17Å; F2198-E2260 HydrophobicContact CD1-CG 3.95Å; F2198-E2260 HydrophobicContact CD2-CG 4.16Å; F2198-E2260 HydrophobicContact CE1-CG 4.38Å; F2198-E2260 HydrophobicContact CG-CG 3.82Å; L2256-E2260 WeakPolarHBondContact O-CB 3.23Å; L2256-E2260 PolarHBondContact O-N 2.69Å; E2260-R2264 IonicContact OE1-CZ 2.73Å; E2260-R2264 IonicContact OE1-NE 3.76Å; E2260-R2264 PolarHBondContact OE1-NE 2.76Å; E2260-R2264 IonicContact OE1-NH2 2.81Å; E2260-R2264 PolarHBondContact OE1-NH2 3.07Å; E2260-Y2411 PolarHBondContact OE2-OH 2.64Å
2261I96.8Very high95.4Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-66-43.9174.5-66.5165.2000111V2257 R2264 R2270 I2274 L2300 V2305 L2308V2257-I2261 HydrophobicContact CG1-CD1 3.86Å; V2257-I2261 WeakPolarHBondContact O-CD1 3.45Å; V2257-I2261 VanDerWaalsContact O-CG1 3.29Å; V2257-I2261 WeakPolarHBondContact O-CG1 3.27Å; V2257-I2261 PolarHBondContact O-N 3.25Å; V2257-I2261 VanDerWaalsContact O-N 3.11Å; I2261-R2264 PolarHBondContact O-N 3.42Å; I2261-R2270 WeakPolarHBondContact O-CG 3.29Å; I2261-I2274 HydrophobicContact CD1-CG1 3.97Å; I2261-I2274 HydrophobicContact CG1-CG1 4.17Å; I2261-I2274 HydrophobicContact CG2-CD1 4.29Å; I2261-I2274 HydrophobicContact CG2-CG1 4.15Å; I2261-L2300 HydrophobicContact CD1-CD2 3.96Å; I2261-V2305 HydrophobicContact CD1-CG1 4.24Å; I2261-V2305 HydrophobicContact CD1-CG2 4.5Å; I2261-V2305 HydrophobicContact CG2-CG1 4.24Å; I2261-V2305 HydrophobicContact CG2-CG2 4.47Å; I2261-L2308 HydrophobicContact CG2-CD1 4.44Å
2262I95.6Very high95.5Very high3 Ų338.4 Ų38.42%0.01520%0.203CC..Hα-helixtrans-79.7-19.5-174.3-68.2169.7000112.4V2258 S2259 R2264 S2304 V2305 A2427 I2431V2258-I2262 HydrophobicContact CG1-CD1 3.61Å; V2258-I2262 VanDerWaalsContact O-CB 3.32Å; V2258-I2262 WeakPolarHBondContact O-CB 3.24Å; V2258-I2262 WeakPolarHBondContact O-CD1 3.35Å; V2258-I2262 VanDerWaalsContact O-CG1 3.27Å; V2258-I2262 WeakPolarHBondContact O-CG1 3.49Å; V2258-I2262 PolarHBondContact O-N 3.37Å; S2259-I2262 PolarHBondContact O-N 2.75Å; I2262-R2264 PolarHBondContact O-N 3.13Å; I2262-S2304 VanDerWaalsContact CD1-CB 3.43Å; I2262-V2305 HydrophobicContact CD1-CG2 4.11Å; I2262-V2305 HydrophobicContact CG1-CG2 4.38Å; I2262-A2427 HydrophobicContact CG2-CB 3.45Å; I2262-A2427 VanDerWaalsContact CG2-CB 3.45Å; I2262-I2431 HydrophobicContact CG2-CD1 4.47Å; I2262-I2431 WeakPolarHBondContact O-CD1 3.1Å
2263S93.1Very high95.6Very high70 Ų7036.2 Ų36.249%0.4919%0.192SC..THydrogen-bonded Turntrans-72.9-13.6174.3-60.90000113.5S2259S2259-S2263 VanDerWaalsContact O-CB 3.28Å; S2259-S2263 WeakPolarHBondContact O-CB 3.42Å; S2259-S2263 PolarHBondContact O-N 3Å; S2259-S2263 PolarHBondContact O-OG 2.75Å
2264R93.7Very high95.7Very high43 Ų4336.2 Ų36.216%0.16219%0.192CC..  trans-87.2112.3178.6-52.6-52.5176.3122.3-4.5111.3D2199 E2260 I2261 I2262 D2269 R2270D2199-R2264 IonicContact OD1-CZ 3.49Å; D2199-R2264 IonicContact OD1-NH1 2.6Å; D2199-R2264 PolarHBondContact OD1-NH1 3.34Å; D2199-R2264 IonicContact OD1-NH2 3.12Å; D2199-R2264 PolarHBondContact OD1-NH2 3Å; D2199-R2264 IonicContact OD2-CZ 3.6Å; D2199-R2264 VanDerWaalsContact OD2-CZ 3.24Å; D2199-R2264 IonicContact OD2-NH1 2.6Å; D2199-R2264 PolarHBondContact OD2-NH1 3.21Å; D2199-R2264 IonicContact OD2-NH2 2.72Å; D2199-R2264 PolarHBondContact OD2-NH2 3.29Å; E2260-R2264 IonicContact OE1-CZ 2.73Å; E2260-R2264 IonicContact OE1-NE 3.76Å; E2260-R2264 PolarHBondContact OE1-NE 2.76Å; E2260-R2264 IonicContact OE1-NH2 2.81Å; E2260-R2264 PolarHBondContact OE1-NH2 3.07Å; I2261-R2264 PolarHBondContact O-N 3.42Å; I2262-R2264 PolarHBondContact O-N 3.13Å; R2264-D2269 HydrophobicContact CB-CB 3.97Å; R2264-D2269 HydrophobicContact CG-CB 4.31Å; R2264-R2270 HydrophobicContact CB-CG 3.7Å; R2264-R2270 WeakPolarHBondContact O-CD 3.42Å; R2264-R2270 WeakPolarHBondContact O-CG 3.41Å; R2264-R2270 PolarHBondContact O-NH1 3.06Å
2265T91.4Very high95.7Very high119 Ų11937.9 Ų37.973%0.7320%0.2SC*.  trans-75.9-36.4-179.549.70000113R2270T2265-R2270 VanDerWaalsContact C-NH1 3.28Å; T2265-R2270 PolarHBondContact O-NH1 3.11Å
2266D93.8Very high95.8Very high69 Ų6936.3 Ų36.337%0.36920%0.195SC..SBendtrans-73.1147.3173.2-173.8-108.9000112.8N2268 D2269 R2270D2266-N2268 WeakPolarHBondContact OD1-CA 3.46Å; D2266-N2268 VanDerWaalsContact OD1-CB 3.27Å; D2266-N2268 WeakPolarHBondContact OD1-CB 3.46Å; D2266-N2268 PolarHBondContact OD1-N 3.22Å; D2266-N2268 PolarHBondContact OD1-ND2 3.04Å; D2266-D2269 HydrophobicContact CB-CB 4.2Å; D2266-D2269 PolarHBondContact OD1-N 3.33Å; D2266-R2270 PolarHBondContact O-N 3.02Å; D2266-R2270 PolarHBondContact O-NH1 3.22Å
2267L94.1Very high95.9Very high44 Ų4436.1 Ų36.123%0.2319%0.194CC..Hα-helixtrans-73.3-35.3-178.1-175.1148.9000112.9V2271 R2310 R2314L2267-V2271 HydrophobicContact CD2-CG2 4.41Å; L2267-V2271 VanDerWaalsContact O-CG2 3.31Å; L2267-V2271 WeakPolarHBondContact O-CG2 3.36Å; L2267-V2271 PolarHBondContact O-N 2.78Å; L2267-V2271 VanDerWaalsContact O-N 3.16Å; L2267-R2310 HydrophobicContact CD1-CB 3.77Å; L2267-R2314 HydrophobicContact CD2-CB 3.78Å; L2267-R2314 HydrophobicContact CD2-CG 3.68Å
2268N95.7Very high95.9Very high72 Ų7236.4 Ų36.439%0.38520%0.196SC..Hα-helixtrans-74.7-40.2179.2-48.6-82.7000110.2D2266 R2270 V2271 M2272D2266-N2268 WeakPolarHBondContact OD1-CA 3.46Å; D2266-N2268 VanDerWaalsContact OD1-CB 3.27Å; D2266-N2268 WeakPolarHBondContact OD1-CB 3.46Å; D2266-N2268 PolarHBondContact OD1-N 3.22Å; D2266-N2268 PolarHBondContact OD1-ND2 3.04Å; N2268-R2270 VanDerWaalsContact C-N 3.31Å; N2268-R2270 PolarHBondContact O-N 3.22Å; N2268-V2271 WeakPolarHBondContact O-CB 3.28Å; N2268-V2271 PolarHBondContact O-N 2.89Å; N2268-M2272 WeakPolarHBondContact O-CG 3.46Å; N2268-M2272 PolarHBondContact O-N 3.45Å
2269D95.6Very high95.9Very high74 Ų7438.3 Ų38.340%0.39621%0.212SC..Hα-helixtrans-57.2-42.4172.6-72.5-1.1000111.8R2264 D2266 M2272 C2273R2264-D2269 HydrophobicContact CB-CB 3.97Å; R2264-D2269 HydrophobicContact CG-CB 4.31Å; D2266-D2269 HydrophobicContact CB-CB 4.2Å; D2266-D2269 PolarHBondContact OD1-N 3.33Å; D2269-M2272 PolarHBondContact O-N 2.86Å; D2269-C2273 VanDerWaalsContact O-CB 3.26Å; D2269-C2273 WeakPolarHBondContact O-CB 3.46Å; D2269-C2273 PolarHBondContact O-N 3.28Å
2270R96.5Very high96Very high7 Ų738.3 Ų38.33%0.02621%0.212CC..Hα-helixtrans-62.6-41.2172.8-77-165.5-56.7-74.81.6113.2I2261 R2264 T2265 D2266 N2268 C2273 I2274 T2311 E2432I2261-R2270 WeakPolarHBondContact O-CG 3.29Å; R2264-R2270 HydrophobicContact CB-CG 3.7Å; R2264-R2270 WeakPolarHBondContact O-CD 3.42Å; R2264-R2270 WeakPolarHBondContact O-CG 3.41Å; R2264-R2270 PolarHBondContact O-NH1 3.06Å; T2265-R2270 VanDerWaalsContact C-NH1 3.28Å; T2265-R2270 PolarHBondContact O-NH1 3.11Å; D2266-R2270 PolarHBondContact O-N 3.02Å; D2266-R2270 PolarHBondContact O-NH1 3.22Å; N2268-R2270 VanDerWaalsContact C-N 3.31Å; N2268-R2270 PolarHBondContact O-N 3.22Å; R2270-C2273 PolarHBondContact O-N 2.69Å; R2270-I2274 WeakPolarHBondContact O-CG1 3.29Å; R2270-I2274 PolarHBondContact O-N 2.77Å; R2270-T2311 HydrophobicContact CB-CG2 3.62Å; R2270-T2311 PolarHBondContact NE-OG1 3.44Å; R2270-T2311 PolarHBondContact NH2-OG1 3.31Å; R2270-E2432 IonicContact NH2-OE1 2.78Å
2271V97.5Very high96.2Very high12 Ų1237.6 Ų37.67%0.07321%0.209CC..Hα-helixtrans-63.8-46.1177.3170.60000110.5L2267 N2268 C2273 I2274 D2275 T2311 R2314 V2315L2267-V2271 HydrophobicContact CD2-CG2 4.41Å; L2267-V2271 VanDerWaalsContact O-CG2 3.31Å; L2267-V2271 WeakPolarHBondContact O-CG2 3.36Å; L2267-V2271 PolarHBondContact O-N 2.78Å; L2267-V2271 VanDerWaalsContact O-N 3.16Å; N2268-V2271 WeakPolarHBondContact O-CB 3.28Å; N2268-V2271 PolarHBondContact O-N 2.89Å; V2271-C2273 VanDerWaalsContact C-N 3.33Å; V2271-C2273 PolarHBondContact O-N 2.89Å; V2271-I2274 PolarHBondContact O-N 3.34Å; V2271-D2275 WeakPolarHBondContact O-CB 3.4Å; V2271-D2275 PolarHBondContact O-N 2.89Å; V2271-T2311 HydrophobicContact CG2-CG2 4.1Å; V2271-R2314 HydrophobicContact CG2-CB 3.79Å; V2271-R2314 HydrophobicContact CG2-CG 3.86Å; V2271-V2315 HydrophobicContact CB-CG2 4.47Å; V2271-V2315 HydrophobicContact CG1-CG2 4.2Å; V2271-V2315 HydrophobicContact CG2-CG2 4.08Å
2272M96.2Very high96.2Very high130 Ų13040.2 Ų40.264%0.6422%0.223SC*.Hα-helixtrans-63.9-37.1176.2-70.7-178.562.600112.3N2268 D2269 D2275 K2276N2268-M2272 WeakPolarHBondContact O-CG 3.46Å; N2268-M2272 PolarHBondContact O-N 3.45Å; D2269-M2272 PolarHBondContact O-N 2.86Å; M2272-D2275 PolarHBondContact O-N 2.92Å; M2272-K2276 VanDerWaalsContact O-CB 3.28Å; M2272-K2276 WeakPolarHBondContact O-CB 3.41Å; M2272-K2276 PolarHBondContact O-N 2.8Å
2273C96.9Very high96.3Very high2 Ų242.3 Ų42.31%0.01423%0.234CC..Hα-helixtrans-62.6-45.8173.7-173.80000111.7F2198 D2269 R2270 V2271 K2276 W2277F2198-C2273 HydrophobicContact CE1-CB 4.35Å; D2269-C2273 VanDerWaalsContact O-CB 3.26Å; D2269-C2273 WeakPolarHBondContact O-CB 3.46Å; D2269-C2273 PolarHBondContact O-N 3.28Å; R2270-C2273 PolarHBondContact O-N 2.69Å; V2271-C2273 VanDerWaalsContact C-N 3.33Å; V2271-C2273 PolarHBondContact O-N 2.89Å; C2273-K2276 PolarHBondContact O-N 2.75Å; C2273-W2277 VanDerWaalsContact O-CD1 3.25Å; C2273-W2277 PolarHBondContact O-N 2.77Å
2274I97.8Very high96.6Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-63.4-48.1174.8-69.6167.1000111I2261 R2270 V2271 K2276 W2277 V2278 L2300 T2311 W2312 V2315I2261-I2274 HydrophobicContact CD1-CG1 3.97Å; I2261-I2274 HydrophobicContact CG1-CG1 4.17Å; I2261-I2274 HydrophobicContact CG2-CD1 4.29Å; I2261-I2274 HydrophobicContact CG2-CG1 4.15Å; R2270-I2274 WeakPolarHBondContact O-CG1 3.29Å; R2270-I2274 PolarHBondContact O-N 2.77Å; V2271-I2274 PolarHBondContact O-N 3.34Å; I2274-K2276 VanDerWaalsContact C-N 3.27Å; I2274-K2276 PolarHBondContact O-N 2.77Å; I2274-W2277 PolarHBondContact O-N 3.19Å; I2274-V2278 HydrophobicContact CG2-CG2 4.35Å; I2274-V2278 VanDerWaalsContact O-CG2 3.28Å; I2274-V2278 WeakPolarHBondContact O-CG2 3.5Å; I2274-V2278 PolarHBondContact O-N 2.98Å; I2274-L2300 HydrophobicContact CG1-CD2 4.45Å; I2274-L2300 HydrophobicContact CG2-CD2 4.23Å; I2274-T2311 HydrophobicContact CD1-CG2 3.72Å; I2274-W2312 HydrophobicContact CG2-CH2 4.43Å; I2274-W2312 HydrophobicContact CG2-CZ3 4.36Å; I2274-V2315 HydrophobicContact CB-CG2 4.43Å; I2274-V2315 HydrophobicContact CD1-CG2 4.22Å; I2274-V2315 HydrophobicContact CG2-CG2 4.12Å
2275D96.9Very high96.7Very high51 Ų5141 Ų4127%0.27322%0.218SC..Hα-helixtrans-57.5-40.8178.1-74.3-30.5000111.1V2271 M2272 V2278 A2279 T2319V2271-D2275 WeakPolarHBondContact O-CB 3.4Å; V2271-D2275 PolarHBondContact O-N 2.89Å; M2272-D2275 PolarHBondContact O-N 2.92Å; D2275-V2278 PolarHBondContact O-N 2.94Å; D2275-A2279 PolarHBondContact O-N 3.08Å; D2275-T2319 WeakPolarHBondContact OD1-CB 3.49Å; D2275-T2319 WeakPolarHBondContact OD1-CG2 3.37Å; D2275-T2319 PolarHBondContact OD1-OG1 2.86Å
2276K97.5Very high96.9Very high44 Ų4439.2 Ų39.219%0.19121%0.21CC..Hα-helixtrans-69.5-42.6176.9-171.5168.7-178.8-179.90112.9F2198 D2199 L2201 M2272 C2273 I2274 V2278 A2279 I2280F2198-K2276 HydrophobicContact CD1-CD 4.37Å; F2198-K2276 HydrophobicContact CE1-CB 4.17Å; F2198-K2276 HydrophobicContact CE1-CD 3.69Å; F2198-K2276 HydrophobicContact CE1-CG 4.14Å; F2198-K2276 HydrophobicContact CE2-CD 4.35Å; F2198-K2276 HydrophobicContact CE2-CG 4.45Å; F2198-K2276 HydrophobicContact CZ-CB 3.92Å; F2198-K2276 HydrophobicContact CZ-CD 3.69Å; F2198-K2276 HydrophobicContact CZ-CG 3.72Å; F2198-K2276 PolarHBondContact O-NZ 3.23Å; D2199-K2276 PolarHBondContact O-NZ 2.71Å; D2199-K2276 VanDerWaalsContact O-NZ 3.17Å; L2201-K2276 WeakPolarHBondContact O-CE 3.21Å; L2201-K2276 PolarHBondContact O-NZ 2.77Å; M2272-K2276 VanDerWaalsContact O-CB 3.28Å; M2272-K2276 WeakPolarHBondContact O-CB 3.41Å; M2272-K2276 PolarHBondContact O-N 2.8Å; C2273-K2276 PolarHBondContact O-N 2.75Å; I2274-K2276 VanDerWaalsContact C-N 3.27Å; I2274-K2276 PolarHBondContact O-N 2.77Å; K2276-V2278 VanDerWaalsContact C-N 3.33Å; K2276-V2278 PolarHBondContact O-N 2.94Å; K2276-A2279 WeakPolarHBondContact O-CB 3.5Å; K2276-A2279 PolarHBondContact O-N 2.83Å; K2276-I2280 HydrophobicContact CG-CD1 4.29Å; K2276-I2280 VanDerWaalsContact O-CG1 3.31Å; K2276-I2280 WeakPolarHBondContact O-CG1 3.45Å; K2276-I2280 PolarHBondContact O-N 2.67Å
2277W98.1Very high97Very high0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-65-34.7174.3-81.9117.3000112.9F2198 I2206 V2257 C2273 I2274 I2280 A2281 I2296F2198-W2277 AromaticContact CD2-CZ2 3.96Å; F2198-W2277 HydrophobicContact CD2-CZ2 3.96Å; F2198-W2277 AromaticContact CE2-CD2 3.96Å; F2198-W2277 HydrophobicContact CE2-CD2 3.96Å; F2198-W2277 AromaticContact CE2-CE2 3.35Å; F2198-W2277 HydrophobicContact CE2-CG 4.42Å; F2198-W2277 HydrophobicContact CE2-CH2 4.2Å; F2198-W2277 AromaticContact CE2-CZ2 3.5Å; F2198-W2277 HydrophobicContact CE2-CZ2 3.5Å; F2198-W2277 AromaticContact CE2-NE1 3.49Å; F2198-W2277 AromaticContact CZ-CD1 3.64Å; F2198-W2277 HydrophobicContact CZ-CD2 4.11Å; F2198-W2277 AromaticContact CZ-CE2 3.71Å; F2198-W2277 HydrophobicContact CZ-CG 4.08Å; F2198-W2277 HydrophobicContact CZ-CZ2 4.31Å; F2198-W2277 AromaticContact CZ-NE1 3.38Å; I2206-W2277 HydrophobicContact CG2-CH2 4.33Å; I2206-W2277 HydrophobicContact CG2-CZ3 4.23Å; V2257-W2277 HydrophobicContact CB-CD2 4.39Å; V2257-W2277 HydrophobicContact CG1-CB 4.43Å; V2257-W2277 HydrophobicContact CG1-CD2 3.99Å; V2257-W2277 HydrophobicContact CG1-CG 3.91Å; V2257-W2277 HydrophobicContact CG2-CD2 3.8Å; V2257-W2277 HydrophobicContact CG2-CE3 3.71Å; V2257-W2277 HydrophobicContact CG2-CH2 3.79Å; V2257-W2277 HydrophobicContact CG2-CZ2 3.87Å; V2257-W2277 HydrophobicContact CG2-CZ3 3.71Å; C2273-W2277 VanDerWaalsContact O-CD1 3.25Å; C2273-W2277 PolarHBondContact O-N 2.77Å; I2274-W2277 PolarHBondContact O-N 3.19Å; W2277-I2280 HydrophobicContact CD2-CD1 4.11Å; W2277-I2280 HydrophobicContact CE3-CB 4.2Å; W2277-I2280 HydrophobicContact CE3-CD1 3.62Å; W2277-I2280 HydrophobicContact CE3-CG2 4.16Å; W2277-I2280 HydrophobicContact CZ3-CD1 3.87Å; W2277-I2280 HydrophobicContact CZ3-CG2 4.16Å; W2277-I2280 PolarHBondContact O-N 2.93Å; W2277-A2281 PolarHBondContact O-N 3.08Å; W2277-I2296 HydrophobicContact CB-CG2 4.22Å; W2277-I2296 HydrophobicContact CE3-CD1 4.06Å; W2277-I2296 HydrophobicContact CE3-CG1 4.19Å; W2277-I2296 HydrophobicContact CZ3-CD1 4.37Å
2278V98.2Very high97Very high6 Ų637.8 Ų37.84%0.03620%0.2CC..Hα-helixtrans-68.2-36.7173.3173.60000111.6I2274 D2275 K2276 A2281 D2282 L2300 T2319 I2323 L2326I2274-V2278 HydrophobicContact CG2-CG2 4.35Å; I2274-V2278 VanDerWaalsContact O-CG2 3.28Å; I2274-V2278 WeakPolarHBondContact O-CG2 3.5Å; I2274-V2278 PolarHBondContact O-N 2.98Å; D2275-V2278 PolarHBondContact O-N 2.94Å; K2276-V2278 VanDerWaalsContact C-N 3.33Å; K2276-V2278 PolarHBondContact O-N 2.94Å; V2278-A2281 PolarHBondContact O-N 2.94Å; V2278-D2282 PolarHBondContact O-N 3.34Å; V2278-L2300 HydrophobicContact CG2-CD1 3.82Å; V2278-T2319 HydrophobicContact CB-CG2 3.89Å; V2278-T2319 HydrophobicContact CG1-CG2 3.85Å; V2278-T2319 HydrophobicContact CG2-CG2 3.88Å; V2278-I2323 HydrophobicContact CB-CG1 4.48Å; V2278-I2323 HydrophobicContact CG1-CG1 4.12Å; V2278-I2323 HydrophobicContact CG2-CD1 3.77Å; V2278-I2323 HydrophobicContact CG2-CG1 3.45Å; V2278-I2323 VanDerWaalsContact CG2-CG1 3.45Å; V2278-L2326 HydrophobicContact CG1-CD1 4.35Å
2279A97.7Very high97.1Very high43 Ų4334.3 Ų34.336%0.35518%0.182SC..Hα-helixtrans-63.8-44.6171.200000112D2275 K2276 A2281 D2282 I2283D2275-A2279 PolarHBondContact O-N 3.08Å; K2276-A2279 WeakPolarHBondContact O-CB 3.5Å; K2276-A2279 PolarHBondContact O-N 2.83Å; A2279-A2281 VanDerWaalsContact C-N 3.31Å; A2279-A2281 PolarHBondContact O-N 3.27Å; A2279-D2282 PolarHBondContact O-N 3.33Å; A2279-I2283 VanDerWaalsContact O-CG1 3.3Å; A2279-I2283 WeakPolarHBondContact O-CG1 3.26Å; A2279-I2283 PolarHBondContact O-N 2.84Å
2280I98.6Very high97.2Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-57.6-44.5174.3-66.7161.2000110.4F2198 A2203 I2206 K2276 W2277 I2283 C2284 I2296F2198-I2280 HydrophobicContact CE2-CD1 3.94Å; F2198-I2280 HydrophobicContact CZ-CD1 4.39Å; A2203-I2280 HydrophobicContact CB-CG1 3.79Å; I2206-I2280 HydrophobicContact CB-CD1 4.08Å; I2206-I2280 HydrophobicContact CB-CG1 4.42Å; I2206-I2280 HydrophobicContact CD1-CD1 3.87Å; I2206-I2280 HydrophobicContact CG2-CD1 3.89Å; I2206-I2280 HydrophobicContact CG2-CG1 4.46Å; I2206-I2280 HydrophobicContact CG2-CG2 4.2Å; K2276-I2280 HydrophobicContact CG-CD1 4.29Å; K2276-I2280 VanDerWaalsContact O-CG1 3.31Å; K2276-I2280 WeakPolarHBondContact O-CG1 3.45Å; K2276-I2280 PolarHBondContact O-N 2.67Å; W2277-I2280 HydrophobicContact CD2-CD1 4.11Å; W2277-I2280 HydrophobicContact CE3-CB 4.2Å; W2277-I2280 HydrophobicContact CE3-CD1 3.62Å; W2277-I2280 HydrophobicContact CE3-CG2 4.16Å; W2277-I2280 HydrophobicContact CZ3-CD1 3.87Å; W2277-I2280 HydrophobicContact CZ3-CG2 4.16Å; W2277-I2280 PolarHBondContact O-N 2.93Å; I2280-I2283 PolarHBondContact O-N 3.12Å; I2280-C2284 PolarHBondContact O-N 3.12Å; I2280-C2284 PolarHBondContact O-SG 2.84Å; I2280-C2284 VanDerWaalsContact O-SG 3.35Å; I2280-I2296 HydrophobicContact CB-CD1 4.34Å; I2280-I2296 HydrophobicContact CG2-CD1 3.76Å
2281A98.4Very high97.2Very high1 Ų131.4 Ų31.41%0.00817%0.166CC..Hα-helixtrans-64.1-39.1177.100000113.3W2277 V2278 A2279 C2284 R2285 V2293 I2296 L2326W2277-A2281 PolarHBondContact O-N 3.08Å; V2278-A2281 PolarHBondContact O-N 2.94Å; A2279-A2281 VanDerWaalsContact C-N 3.31Å; A2279-A2281 PolarHBondContact O-N 3.27Å; A2281-C2284 PolarHBondContact O-N 3.16Å; A2281-R2285 PolarHBondContact O-N 2.99Å; A2281-V2293 WeakPolarHBondContact O-CG2 3.48Å; A2281-I2296 HydrophobicContact CB-CB 4.08Å; A2281-I2296 HydrophobicContact CB-CD1 3.87Å; A2281-I2296 HydrophobicContact CB-CG2 3.96Å; A2281-L2326 HydrophobicContact CB-CD1 3.86Å
2282D97.9Very high97.2Very high55 Ų5530.9 Ų30.929%0.29416%0.162SC..Hα-helixtrans-72.1-29.4177.1-157.151000112.6V2278 A2279 R2285 C2286 L2326V2278-D2282 PolarHBondContact O-N 3.34Å; A2279-D2282 PolarHBondContact O-N 3.33Å; D2282-R2285 WeakPolarHBondContact O-CB 3.5Å; D2282-R2285 PolarHBondContact O-N 2.99Å; D2282-R2285 IonicContact OD1-CZ 3.1Å; D2282-R2285 IonicContact OD1-NE 3.37Å; D2282-R2285 PolarHBondContact OD1-NE 2.9Å; D2282-R2285 IonicContact OD1-NH2 3.38Å; D2282-R2285 PolarHBondContact OD1-NH2 3.23Å; D2282-R2285 IonicContact OD2-NH2 3.59Å; D2282-R2285 PolarHBondContact OD2-NH2 2.78Å; D2282-C2286 PolarHBondContact O-N 3.48Å; D2282-C2286 PolarHBondContact O-SG 2.98Å; D2282-L2326 HydrophobicContact CB-CD1 4.45Å
2283I97.8Very high97.3Very high46 Ų4624.7 Ų24.724%0.23613%0.132CC..Hα-helixtrans-69.3-45.7169.1-58.5161.3000110.2A2203 L2204 S2207 A2279 I2280 R2285 C2286 M2287A2203-I2283 HydrophobicContact CB-CD1 4.02Å; L2204-I2283 HydrophobicContact CD1-CG2 4.05Å; S2207-I2283 WeakPolarHBondContact OG-CG2 3.44Å; A2279-I2283 VanDerWaalsContact O-CG1 3.3Å; A2279-I2283 WeakPolarHBondContact O-CG1 3.26Å; A2279-I2283 PolarHBondContact O-N 2.84Å; I2280-I2283 PolarHBondContact O-N 3.12Å; I2283-R2285 PolarHBondContact O-N 3.37Å; I2283-C2286 CarbonylContact O-C 3.43Å; I2283-C2286 WeakPolarHBondContact O-CA 3.27Å; I2283-C2286 WeakPolarHBondContact O-CB 3.48Å; I2283-C2286 PolarHBondContact O-N 3.01Å; I2283-M2287 HydrophobicContact CG2-CG 4.25Å; I2283-M2287 HydrophobicContact CG2-SD 4.13Å; I2283-M2287 WeakPolarHBondContact O-CG 3.44Å; I2283-M2287 PolarHBondContact O-N 3.04Å
2284C98Very high97.4Very high0 Ų025.5 Ų25.50%014%0.136CC..Hα-helixtrans-55.3-38.7172.8-72.40000112I2280 A2281 M2287 Q2288 N2289 V2293I2280-C2284 PolarHBondContact O-N 3.12Å; I2280-C2284 PolarHBondContact O-SG 2.84Å; I2280-C2284 VanDerWaalsContact O-SG 3.35Å; A2281-C2284 PolarHBondContact O-N 3.16Å; C2284-M2287 CarbonylContact O-C 3.5Å; C2284-M2287 PolarHBondContact O-N 3.47Å; C2284-Q2288 PolarHBondContact O-N 3.37Å; C2284-Q2288 VanDerWaalsContact O-N 3.15Å; C2284-N2289 HydrophobicContact CB-CB 4.26Å; C2284-N2289 PolarHBondContact O-N 3.34Å; C2284-V2293 HydrophobicContact CB-CG2 4.08Å
2285R96.9Very high97.4Very high86 Ų8625.5 Ų25.533%0.32514%0.136SC..Hα-helixtrans-61.6-44171.5-177.1-168.257.162.75.2112A2281 D2282 I2283 M2287 Q2288 V2293 L2326 L2329A2281-R2285 PolarHBondContact O-N 2.99Å; D2282-R2285 WeakPolarHBondContact O-CB 3.5Å; D2282-R2285 PolarHBondContact O-N 2.99Å; D2282-R2285 IonicContact OD1-CZ 3.1Å; D2282-R2285 IonicContact OD1-NE 3.37Å; D2282-R2285 PolarHBondContact OD1-NE 2.9Å; D2282-R2285 IonicContact OD1-NH2 3.38Å; D2282-R2285 PolarHBondContact OD1-NH2 3.23Å; D2282-R2285 IonicContact OD2-NH2 3.59Å; D2282-R2285 PolarHBondContact OD2-NH2 2.78Å; I2283-R2285 PolarHBondContact O-N 3.37Å; R2285-M2287 VanDerWaalsContact C-N 3.29Å; R2285-M2287 PolarHBondContact O-N 2.82Å; R2285-Q2288 PolarHBondContact O-N 3.46Å; R2285-Q2288 VanDerWaalsContact O-N 3.12Å; R2285-V2293 HydrophobicContact CB-CG2 3.81Å; R2285-L2326 HydrophobicContact CB-CD2 3.98Å; R2285-L2326 HydrophobicContact CG-CD2 4.41Å; R2285-L2329 HydrophobicContact CG-CD2 3.6Å
2286C95Very high97.4Very high82 Ų8223 Ų2355%0.55412%0.123SC*.Hα-helixtrans-66.9-31.2177.1-63.70000112.4D2282 I2283 Q2288D2282-C2286 PolarHBondContact O-N 3.48Å; D2282-C2286 PolarHBondContact O-SG 2.98Å; I2283-C2286 CarbonylContact O-C 3.43Å; I2283-C2286 WeakPolarHBondContact O-CA 3.27Å; I2283-C2286 WeakPolarHBondContact O-CB 3.48Å; I2283-C2286 PolarHBondContact O-N 3.01Å; C2286-Q2288 PolarHBondContact O-N 3.09Å
2287M94.8Very high97.4Very high37 Ų3721.3 Ų21.318%0.18212%0.116CC..THydrogen-bonded Turntrans-81.27.3171.5-62-175.773.500113.7E2208 T2211 I2283 C2284 R2285 N2289 Y2400 I2402E2208-M2287 HydrophobicContact CG-CE 4.03Å; E2208-M2287 HydrophobicContact CG-SD 4.23Å; T2211-M2287 HydrophobicContact CG2-CE 4.16Å; I2283-M2287 HydrophobicContact CG2-CG 4.25Å; I2283-M2287 HydrophobicContact CG2-SD 4.13Å; I2283-M2287 WeakPolarHBondContact O-CG 3.44Å; I2283-M2287 PolarHBondContact O-N 3.04Å; C2284-M2287 CarbonylContact O-C 3.5Å; C2284-M2287 PolarHBondContact O-N 3.47Å; R2285-M2287 VanDerWaalsContact C-N 3.29Å; R2285-M2287 PolarHBondContact O-N 2.82Å; M2287-N2289 PolarHBondContact O-N 3.08Å; M2287-N2289 VanDerWaalsContact O-N 3.1Å; M2287-Y2400 VanDerWaalsContact O-CE1 3.28Å; M2287-Y2400 WeakPolarHBondContact O-CE1 3.27Å; M2287-Y2400 PolarHBondContact O-OH 2.75Å; M2287-I2402 HydrophobicContact CE-CD1 3.51Å; M2287-I2402 HydrophobicContact CE-CG1 4.1Å
2288Q96Very high97.3Very high45 Ų4523.3 Ų23.321%0.2113%0.13CC..THydrogen-bonded Turntrans57.220.8-177.5-41.4-178.418.500114.9C2284 R2285 C2286 Y2290 C2346 D2347 P2349 C2350 I2351C2284-Q2288 PolarHBondContact O-N 3.37Å; C2284-Q2288 VanDerWaalsContact O-N 3.15Å; R2285-Q2288 PolarHBondContact O-N 3.46Å; R2285-Q2288 VanDerWaalsContact O-N 3.12Å; C2286-Q2288 PolarHBondContact O-N 3.09Å; Q2288-Y2290 HydrophobicContact CB-CE2 4.12Å; Q2288-Y2290 WeakPolarHBondContact O-CD2 3.26Å; Q2288-Y2290 PolarHBondContact O-N 3.42Å; Q2288-Y2290 VanDerWaalsContact O-N 3.14Å; Q2288-C2346 PolarHBondContact OE1-SG 3.34Å; Q2288-C2346 VanDerWaalsContact OE1-SG 3.42Å; Q2288-D2347 PolarHBondContact NE2-O 3.43Å; Q2288-D2347 PolarHBondContact OE1-O 3.23Å; Q2288-D2347 VanDerWaalsContact OE1-O 3.09Å; Q2288-P2349 PolarHBondContact OE1-O 3.27Å; Q2288-C2350 HydrophobicContact CB-CB 3.55Å; Q2288-C2350 WeakPolarHBondContact O-CA 3.25Å; Q2288-C2350 WeakPolarHBondContact O-CB 3.4Å; Q2288-C2350 VanDerWaalsContact OE1-CB 3.26Å; Q2288-I2351 PolarHBondContact O-N 3.03Å
2289N97Very high97.3Very high0 Ų023 Ų230%013%0.128CC..BIsolated β-bridgetrans-85.276.5174-178.22.2000110.3T2211 C2284 M2287 N2291 G2292 V2293 I2351T2211-N2289 WeakPolarHBondContact CA-ND2 2.79Å; T2211-N2289 HydrophobicContact CG2-CB 3.93Å; T2211-N2289 PolarHBondContact OG1-ND2 3.3Å; C2284-N2289 HydrophobicContact CB-CB 4.26Å; C2284-N2289 PolarHBondContact O-N 3.34Å; M2287-N2289 PolarHBondContact O-N 3.08Å; M2287-N2289 VanDerWaalsContact O-N 3.1Å; N2289-N2291 PolarHBondContact O-N 2.68Å; N2289-N2291 PolarHBondContact OD1-N 2.73Å; N2289-G2292 PolarHBondContact O-N 3.07Å; N2289-G2292 PolarHBondContact OD1-N 2.97Å; N2289-V2293 WeakPolarHBondContact O-CG2 3.13Å; N2289-V2293 PolarHBondContact O-N 3.48Å; N2289-V2293 VanDerWaalsContact O-N 3.07Å; N2289-I2351 HydrophobicContact CB-CD1 4.37Å; N2289-I2351 HydrophobicContact CB-CG1 4.43Å
2290Y97.5Very high97.2Very high15 Ų1521.1 Ų21.16%0.05911%0.112CC..Hα-helixtrans-64.7-28.6178.7-60.5-80.7000112.8Q2288 V2293 L2294 L2329 M2339 A2342 L2343 C2346 I2351Q2288-Y2290 HydrophobicContact CB-CE2 4.12Å; Q2288-Y2290 WeakPolarHBondContact O-CD2 3.26Å; Q2288-Y2290 PolarHBondContact O-N 3.42Å; Q2288-Y2290 VanDerWaalsContact O-N 3.14Å; Y2290-V2293 PolarHBondContact O-N 3.23Å; Y2290-L2294 WeakPolarHBondContact O-CB 3.34Å; Y2290-L2294 PolarHBondContact O-N 2.93Å; Y2290-L2329 HydrophobicContact CD1-CD2 4.29Å; Y2290-L2329 HydrophobicContact CD1-CG 4.43Å; Y2290-L2329 HydrophobicContact CE1-CD1 4.19Å; Y2290-L2329 HydrophobicContact CE1-CD2 4.01Å; Y2290-L2329 HydrophobicContact CE1-CG 4.28Å; Y2290-M2339 HydrophobicContact CD1-CG 4.28Å; Y2290-M2339 HydrophobicContact CG-CG 4.34Å; Y2290-A2342 HydrophobicContact CE1-CB 3.81Å; Y2290-L2343 HydrophobicContact CD2-CD2 3.57Å; Y2290-L2343 HydrophobicContact CD2-CG 4.19Å; Y2290-L2343 HydrophobicContact CE2-CD2 3.77Å; Y2290-L2343 HydrophobicContact CE2-CG 4.28Å; Y2290-C2346 PolarHBondContact OH-SG 3.34Å; Y2290-I2351 WeakPolarHBondContact CB-O 3.43Å; Y2290-I2351 PolarHBondContact N-O 2.8Å
2291N97.2Very high97.1Very high5 Ų524.8 Ų24.83%0.02713%0.134CC..Hα-helixtrans-59.8-51.2172.3-164.161.1000111.1D2214 N2289 V2293 L2294 Q2295 I2351D2214-N2291 PolarHBondContact OD2-ND2 2.97Å; N2289-N2291 PolarHBondContact O-N 2.68Å; N2289-N2291 PolarHBondContact OD1-N 2.73Å; N2291-V2293 PolarHBondContact O-N 3.06Å; N2291-L2294 PolarHBondContact O-N 3.28Å; N2291-L2294 VanDerWaalsContact O-N 3.15Å; N2291-Q2295 PolarHBondContact ND2-NE2 3.49Å; N2291-Q2295 WeakPolarHBondContact O-CG 3.19Å; N2291-Q2295 PolarHBondContact O-N 3.34Å; N2291-I2351 HydrophobicContact CB-CB 4.38Å; N2291-I2351 HydrophobicContact CB-CG2 3.79Å; N2291-I2351 PolarHBondContact N-O 3Å; N2291-I2351 VanDerWaalsContact N-O 3.15Å
2292G97.5Very high96.9Very high0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-63.6-37.8176.400000113.8N2289 L2294 Q2295 I2296N2289-G2292 PolarHBondContact O-N 3.07Å; N2289-G2292 PolarHBondContact OD1-N 2.97Å; G2292-L2294 VanDerWaalsContact C-N 3.32Å; G2292-L2294 PolarHBondContact O-N 3.29Å; G2292-Q2295 PolarHBondContact O-N 3.3Å; G2292-I2296 WeakPolarHBondContact O-CG1 3.43Å; G2292-I2296 PolarHBondContact O-N 2.85Å
2293V98.2Very high96.8Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-58.2-45.9171.1177.50000110.6A2281 C2284 R2285 N2289 Y2290 N2291 C2297 L2326 V2330A2281-V2293 WeakPolarHBondContact O-CG2 3.48Å; C2284-V2293 HydrophobicContact CB-CG2 4.08Å; R2285-V2293 HydrophobicContact CB-CG2 3.81Å; N2289-V2293 WeakPolarHBondContact O-CG2 3.13Å; N2289-V2293 PolarHBondContact O-N 3.48Å; N2289-V2293 VanDerWaalsContact O-N 3.07Å; Y2290-V2293 PolarHBondContact O-N 3.23Å; N2291-V2293 PolarHBondContact O-N 3.06Å; V2293-C2297 WeakPolarHBondContact O-CB 3.35Å; V2293-C2297 PolarHBondContact O-N 3.4Å; V2293-C2297 PolarHBondContact O-SG 2.9Å; V2293-L2326 HydrophobicContact CG1-CB 4.29Å; V2293-L2326 HydrophobicContact CG1-CD2 3.92Å; V2293-V2330 HydrophobicContact CB-CG1 4.05Å; V2293-V2330 HydrophobicContact CG1-CG1 3.61Å; V2293-V2330 HydrophobicContact CG1-CG2 4.35Å
2294L97.8Very high96.7Very high19 Ų1925 Ų2510%0.09914%0.141CC..Hα-helixtrans-73.1-34-178.6-177.359.8000113F2250 Y2290 N2291 G2292 S2298 V2330 F2336 Y2353F2250-L2294 HydrophobicContact CE2-CB 4.21Å; F2250-L2294 HydrophobicContact CE2-CD2 4.22Å; F2250-L2294 HydrophobicContact CE2-CG 3.97Å; F2250-L2294 HydrophobicContact CZ-CD2 4.34Å; F2250-L2294 HydrophobicContact CZ-CG 3.96Å; Y2290-L2294 WeakPolarHBondContact O-CB 3.34Å; Y2290-L2294 PolarHBondContact O-N 2.93Å; N2291-L2294 PolarHBondContact O-N 3.28Å; N2291-L2294 VanDerWaalsContact O-N 3.15Å; G2292-L2294 VanDerWaalsContact C-N 3.32Å; G2292-L2294 PolarHBondContact O-N 3.29Å; L2294-S2298 VanDerWaalsContact O-CB 3.26Å; L2294-S2298 WeakPolarHBondContact O-CB 3.38Å; L2294-S2298 PolarHBondContact O-N 3.48Å; L2294-S2298 PolarHBondContact O-OG 3.23Å; L2294-V2330 HydrophobicContact CB-CB 4.12Å; L2294-V2330 HydrophobicContact CB-CG1 4.26Å; L2294-V2330 HydrophobicContact CB-CG2 4.16Å; L2294-V2330 HydrophobicContact CD1-CB 3.97Å; L2294-V2330 HydrophobicContact CD1-CG2 3.6Å; L2294-V2330 HydrophobicContact CG-CG2 4.44Å; L2294-F2336 HydrophobicContact CD2-CE1 4.31Å; L2294-Y2353 HydrophobicContact CD2-CD1 3.63Å; L2294-Y2353 HydrophobicContact CD2-CD2 3.7Å; L2294-Y2353 HydrophobicContact CD2-CE1 3.97Å; L2294-Y2353 HydrophobicContact CD2-CE2 4.03Å; L2294-Y2353 HydrophobicContact CD2-CG 3.47Å; L2294-Y2353 VanDerWaalsContact CD2-CG 3.47Å
2295Q97.7Very high96.7Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-55.2-54171.2-72.6165.91.200110.9D2214 F2250 V2253 N2291 G2292 S2298 A2299D2214-Q2295 PolarHBondContact OD2-NE2 3.42Å; F2250-Q2295 HydrophobicContact CB-CG 4.34Å; F2250-Q2295 HydrophobicContact CD2-CB 4.5Å; F2250-Q2295 HydrophobicContact CD2-CG 3.37Å; F2250-Q2295 HydrophobicContact CE2-CB 4.4Å; F2250-Q2295 HydrophobicContact CE2-CG 3.69Å; F2250-Q2295 HydrophobicContact CG-CG 3.88Å; F2250-Q2295 HydrophobicContact CZ-CG 4.42Å; V2253-Q2295 HydrophobicContact CB-CB 4.47Å; V2253-Q2295 HydrophobicContact CB-CG 4.39Å; V2253-Q2295 HydrophobicContact CG1-CB 4.21Å; V2253-Q2295 VanDerWaalsContact CG1-OE1 3.24Å; N2291-Q2295 PolarHBondContact ND2-NE2 3.49Å; N2291-Q2295 WeakPolarHBondContact O-CG 3.19Å; N2291-Q2295 PolarHBondContact O-N 3.34Å; G2292-Q2295 PolarHBondContact O-N 3.3Å; Q2295-S2298 PolarHBondContact O-N 2.88Å; Q2295-A2299 PolarHBondContact O-N 2.89Å; Q2295-A2299 VanDerWaalsContact O-N 3.08Å
2296I98.3Very high96.6Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-69.6-39.9-177.2-59.6164.4000110.7V2257 W2277 I2280 A2281 G2292 S2298 A2299 L2300V2257-I2296 HydrophobicContact CG2-CG1 4.22Å; W2277-I2296 HydrophobicContact CB-CG2 4.22Å; W2277-I2296 HydrophobicContact CE3-CD1 4.06Å; W2277-I2296 HydrophobicContact CE3-CG1 4.19Å; W2277-I2296 HydrophobicContact CZ3-CD1 4.37Å; I2280-I2296 HydrophobicContact CB-CD1 4.34Å; I2280-I2296 HydrophobicContact CG2-CD1 3.76Å; A2281-I2296 HydrophobicContact CB-CB 4.08Å; A2281-I2296 HydrophobicContact CB-CD1 3.87Å; A2281-I2296 HydrophobicContact CB-CG2 3.96Å; G2292-I2296 WeakPolarHBondContact O-CG1 3.43Å; G2292-I2296 PolarHBondContact O-N 2.85Å; I2296-S2298 VanDerWaalsContact C-N 3.3Å; I2296-S2298 PolarHBondContact O-N 3.45Å; I2296-A2299 WeakPolarHBondContact O-CB 3.27Å; I2296-A2299 PolarHBondContact O-N 2.94Å; I2296-L2300 HydrophobicContact CG2-CD1 4.37Å; I2296-L2300 WeakPolarHBondContact O-CG 3.33Å; I2296-L2300 PolarHBondContact O-N 2.93Å
2297C97.5Very high96.6Very high7 Ų727 Ų275%0.04714%0.138CC..Hα-helixtrans-62.1-38174.6-70.40000112.4V2293 L2300 V2301 Q2327 V2330V2293-C2297 WeakPolarHBondContact O-CB 3.35Å; V2293-C2297 PolarHBondContact O-N 3.4Å; V2293-C2297 PolarHBondContact O-SG 2.9Å; C2297-L2300 PolarHBondContact O-N 3.34Å; C2297-V2301 WeakPolarHBondContact O-CG2 3.47Å; C2297-V2301 PolarHBondContact O-N 2.98Å; C2297-Q2327 HydrophobicContact CB-CG 4.22Å; C2297-V2330 HydrophobicContact CB-CG2 4.13Å
2298S95.9Very high96.6Very high42 Ų4225.3 Ų25.329%0.29413%0.13SC..Hα-helixtrans-65.4-39.9176.5-59.10000111.7L2294 Q2295 I2296 V2301 N2302L2294-S2298 VanDerWaalsContact O-CB 3.26Å; L2294-S2298 WeakPolarHBondContact O-CB 3.38Å; L2294-S2298 PolarHBondContact O-N 3.48Å; L2294-S2298 PolarHBondContact O-OG 3.23Å; Q2295-S2298 PolarHBondContact O-N 2.88Å; I2296-S2298 VanDerWaalsContact C-N 3.3Å; I2296-S2298 PolarHBondContact O-N 3.45Å; S2298-V2301 PolarHBondContact O-N 3.47Å; S2298-N2302 PolarHBondContact O-N 2.91Å
2299A97Very high96.6Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-63.5-41.5175.200000113S2254 V2257 V2258 Q2295 I2296 V2301 N2302S2254-A2299 WeakPolarHBondContact O-CB 3.11Å; V2257-A2299 HydrophobicContact CB-CB 3.54Å; V2257-A2299 HydrophobicContact CG1-CB 3.46Å; V2257-A2299 VanDerWaalsContact CG1-CB 3.46Å; V2257-A2299 HydrophobicContact CG2-CB 4.41Å; V2258-A2299 HydrophobicContact CG2-CB 3.85Å; Q2295-A2299 PolarHBondContact O-N 2.89Å; Q2295-A2299 VanDerWaalsContact O-N 3.08Å; I2296-A2299 WeakPolarHBondContact O-CB 3.27Å; I2296-A2299 PolarHBondContact O-N 2.94Å; A2299-V2301 VanDerWaalsContact C-N 3.29Å; A2299-V2301 PolarHBondContact O-N 2.92Å; A2299-N2302 WeakPolarHBondContact O-CB 3.41Å; A2299-N2302 PolarHBondContact O-N 3.27Å
2300L97Very high96.4Very high4 Ų435.1 Ų35.12%0.02117%0.168CC..Hα-helixtrans-68-26.5177.9-66.6174.7000113.3I2261 I2274 V2278 I2296 C2297 W2312 I2323I2261-L2300 HydrophobicContact CD1-CD2 3.96Å; I2274-L2300 HydrophobicContact CG1-CD2 4.45Å; I2274-L2300 HydrophobicContact CG2-CD2 4.23Å; V2278-L2300 HydrophobicContact CG2-CD1 3.82Å; I2296-L2300 HydrophobicContact CG2-CD1 4.37Å; I2296-L2300 WeakPolarHBondContact O-CG 3.33Å; I2296-L2300 PolarHBondContact O-N 2.93Å; C2297-L2300 PolarHBondContact O-N 3.34Å; L2300-W2312 HydrophobicContact CB-CH2 4.42Å; L2300-W2312 HydrophobicContact CD2-CH2 4.24Å; L2300-I2323 HydrophobicContact CD1-CD1 4.3Å; L2300-I2323 HydrophobicContact CD1-CG1 4.15Å
2301V95Very high96.4Very high77 Ų7734.4 Ų34.447%0.46717%0.166SC..Hα-helixtrans-91.5-8.7175.7-1780000112.2C2297 S2298 A2299C2297-V2301 WeakPolarHBondContact O-CG2 3.47Å; C2297-V2301 PolarHBondContact O-N 2.98Å; S2298-V2301 PolarHBondContact O-N 3.47Å; A2299-V2301 VanDerWaalsContact C-N 3.29Å; A2299-V2301 PolarHBondContact O-N 2.92Å
2302N96Very high96.4Very high38 Ų3836.3 Ų36.320%0.20317%0.172CC..SBendtrans-55.3140.3177.1-177.7-71.9000111.2V2258 S2298 A2299 S2304 V2305 Y2306V2258-N2302 HydrophobicContact CG2-CB 3.74Å; S2298-N2302 PolarHBondContact O-N 2.91Å; A2299-N2302 WeakPolarHBondContact O-CB 3.41Å; A2299-N2302 PolarHBondContact O-N 3.27Å; N2302-S2304 PolarHBondContact O-N 2.57Å; N2302-S2304 VanDerWaalsContact O-N 3.08Å; N2302-S2304 WeakPolarHBondContact OD1-CB 3.39Å; N2302-S2304 PolarHBondContact OD1-N 3.3Å; N2302-S2304 PolarHBondContact OD1-OG 3.46Å; N2302-V2305 PolarHBondContact O-N 3.19Å; N2302-Y2306 WeakPolarHBondContact O-CB 3.24Å; N2302-Y2306 PolarHBondContact O-N 2.98Å
2303S95.2Very high96.2Very high68 Ų6842.7 Ų42.748%0.47620%0.202SC..Hα-helixtrans-58.6-27.3-173.3850000114.4R2307S2303-R2307 WeakPolarHBondContact O-CB 3.46Å; S2303-R2307 WeakPolarHBondContact O-CD 3.11Å; S2303-R2307 WeakPolarHBondContact O-CG 3.3Å
2304S95.6Very high96.1Very high1 Ų150 Ų501%0.00723%0.23CC..Hα-helixtrans-75.6-27.2177.1-550000112.8I2262 N2302 T2424 Y2425 S2428I2262-S2304 VanDerWaalsContact CD1-CB 3.43Å; N2302-S2304 PolarHBondContact O-N 2.57Å; N2302-S2304 VanDerWaalsContact O-N 3.08Å; N2302-S2304 WeakPolarHBondContact OD1-CB 3.39Å; N2302-S2304 PolarHBondContact OD1-N 3.3Å; N2302-S2304 PolarHBondContact OD1-OG 3.46Å; S2304-T2424 PolarHBondContact OG-OG1 2.98Å; S2304-Y2425 WeakPolarHBondContact OG-CA 3.22Å; S2304-Y2425 PolarHBondContact OG-N 2.95Å; S2304-S2428 VanDerWaalsContact O-CB 3.26Å; S2304-S2428 WeakPolarHBondContact O-CB 3.32Å; S2304-S2428 PolarHBondContact O-OG 3.46Å
2305V96.8Very high96.1Very high0 Ų049.3 Ų49.30%023%0.226CC..Hα-helixtrans-96.5-46.3177.9-179.10000111.3V2258 I2261 I2262 N2302 R2307 L2308 W2312V2258-V2305 HydrophobicContact CB-CG2 4.33Å; V2258-V2305 HydrophobicContact CG1-CG2 4.14Å; V2258-V2305 HydrophobicContact CG2-CG2 4.03Å; I2261-V2305 HydrophobicContact CD1-CG1 4.24Å; I2261-V2305 HydrophobicContact CD1-CG2 4.5Å; I2261-V2305 HydrophobicContact CG2-CG1 4.24Å; I2261-V2305 HydrophobicContact CG2-CG2 4.47Å; I2262-V2305 HydrophobicContact CD1-CG2 4.11Å; I2262-V2305 HydrophobicContact CG1-CG2 4.38Å; N2302-V2305 PolarHBondContact O-N 3.19Å; V2305-R2307 PolarHBondContact O-N 3.49Å; V2305-L2308 WeakPolarHBondContact O-CB 3.49Å; V2305-L2308 WeakPolarHBondContact O-CG 3.5Å; V2305-L2308 PolarHBondContact O-N 2.89Å; V2305-L2308 VanDerWaalsContact O-N 3.08Å; V2305-W2312 HydrophobicContact CG1-CZ2 4.09Å; V2305-W2312 PolarHBondContact O-NE1 2.71Å
2306Y95.2Very high95.9Very high162 Ų16251.6 Ų51.664%0.63524%0.242SC*.Hα-helixtrans-58.5-25.6-178.1-174.1-101.2000113.4N2302N2302-Y2306 WeakPolarHBondContact O-CB 3.24Å; N2302-Y2306 PolarHBondContact O-N 2.98Å
2307R95.2Very high95.8Very high47 Ų4759.9 Ų59.918%0.17728%0.278CS..THydrogen-bonded Turntrans-77.7-11.7178.768.1175.9-66.7-67.9-11.4115.7S2303 V2305 K2309 S2428 E2432S2303-R2307 WeakPolarHBondContact O-CB 3.46Å; S2303-R2307 WeakPolarHBondContact O-CD 3.11Å; S2303-R2307 WeakPolarHBondContact O-CG 3.3Å; V2305-R2307 PolarHBondContact O-N 3.49Å; R2307-K2309 PolarHBondContact O-N 3.49Å; R2307-S2428 VanDerWaalsContact CD-OG 3.28Å; R2307-S2428 WeakPolarHBondContact CD-OG 3.32Å; R2307-S2428 WeakPolarHBondContact CG-OG 3.17Å; R2307-S2428 PolarHBondContact NH1-O 2.93Å; R2307-S2428 PolarHBondContact NH1-OG 3.38Å; R2307-E2432 VanDerWaalsContact CZ-O 3.27Å; R2307-E2432 PolarHBondContact NH1-O 3.44Å; R2307-E2432 PolarHBondContact NH2-O 3.41Å
2308L95.5Very high95.6Very high1 Ų166.8 Ų66.81%0.00531%0.31CS..  trans-77.465.9-173.4-61.2177.6000112I2261 V2305 R2310 T2311 W2312 S2428 E2432I2261-L2308 HydrophobicContact CG2-CD1 4.44Å; V2305-L2308 WeakPolarHBondContact O-CB 3.49Å; V2305-L2308 WeakPolarHBondContact O-CG 3.5Å; V2305-L2308 PolarHBondContact O-N 2.89Å; V2305-L2308 VanDerWaalsContact O-N 3.08Å; L2308-R2310 PolarHBondContact O-N 2.92Å; L2308-T2311 WeakPolarHBondContact O-CB 3.35Å; L2308-T2311 PolarHBondContact O-N 2.82Å; L2308-W2312 PolarHBondContact O-N 2.64Å; L2308-S2428 WeakPolarHBondContact CD2-OG 3.44Å; L2308-E2432 HydrophobicContact CD2-CB 3.84Å; L2308-E2432 HydrophobicContact CD2-CG 4.01Å
2309K94.9Very high95.7Very high119 Ų11965.5 Ų65.552%0.51730%0.3SS..Hα-helixtrans-54.3-43.2-170.5-71-172.4179.8-178.10114.2R2307 W2312 E2313 E2432R2307-K2309 PolarHBondContact O-N 3.49Å; K2309-W2312 CarbonylContact O-C 3.26Å; K2309-W2312 PolarHBondContact O-N 3.43Å; K2309-E2313 WeakPolarHBondContact O-CB 3.45Å; K2309-E2313 VanDerWaalsContact O-CG 3.24Å; K2309-E2313 WeakPolarHBondContact O-CG 3.49Å; K2309-E2313 PolarHBondContact O-N 3.3Å; K2309-E2432 PolarHBondContact N-OE2 3.11Å
2310R94Very high95.6Very high133 Ų13368.5 Ų68.550%0.50231%0.313SS..Hα-helixtrans-67.3-40.7-177.6-61172.3168.3162.6-4.4110.8L2267 L2308 E2313 R2314 E2432L2267-R2310 HydrophobicContact CD1-CB 3.77Å; L2308-R2310 PolarHBondContact O-N 2.92Å; R2310-E2313 PolarHBondContact O-N 2.89Å; R2310-R2314 PolarHBondContact O-N 3.23Å; R2310-E2432 WeakPolarHBondContact CB-OE2 3.38Å; R2310-E2432 PolarHBondContact N-OE1 2.96Å; R2310-E2432 PolarHBondContact N-OE2 2.86Å
2311T96.6Very high95.6Very high0 Ų073 Ų730%033%0.334CS..Hα-helixtrans-59.6-52.4171.7-52.20000109.9R2270 V2271 I2274 L2308 E2313 R2314 V2315 E2432R2270-T2311 HydrophobicContact CB-CG2 3.62Å; R2270-T2311 PolarHBondContact NE-OG1 3.44Å; R2270-T2311 PolarHBondContact NH2-OG1 3.31Å; V2271-T2311 HydrophobicContact CG2-CG2 4.1Å; I2274-T2311 HydrophobicContact CD1-CG2 3.72Å; L2308-T2311 WeakPolarHBondContact O-CB 3.35Å; L2308-T2311 PolarHBondContact O-N 2.82Å; T2311-E2313 VanDerWaalsContact C-N 3.33Å; T2311-E2313 PolarHBondContact O-N 3.29Å; T2311-R2314 PolarHBondContact O-N 3.46Å; T2311-R2314 VanDerWaalsContact O-N 3.1Å; T2311-V2315 WeakPolarHBondContact O-CG2 3.27Å; T2311-V2315 PolarHBondContact O-N 3.32Å; T2311-V2315 VanDerWaalsContact O-N 3.07Å; T2311-E2432 WeakPolarHBondContact CB-OE1 3.47Å; T2311-E2432 PolarHBondContact N-OE1 3.07Å; T2311-E2432 PolarHBondContact OG1-OE1 3.45Å
2312W96.7Very high95.7Very high45 Ų4570.6 Ų70.617%0.1732%0.321CS..Hα-helixtrans-61.3-35.2178.1-77.1116000113.8I2274 L2300 V2305 L2308 K2309 R2314 V2315 K2320 I2323I2274-W2312 HydrophobicContact CG2-CH2 4.43Å; I2274-W2312 HydrophobicContact CG2-CZ3 4.36Å; L2300-W2312 HydrophobicContact CB-CH2 4.42Å; L2300-W2312 HydrophobicContact CD2-CH2 4.24Å; V2305-W2312 HydrophobicContact CG1-CZ2 4.09Å; V2305-W2312 PolarHBondContact O-NE1 2.71Å; L2308-W2312 PolarHBondContact O-N 2.64Å; K2309-W2312 CarbonylContact O-C 3.26Å; K2309-W2312 PolarHBondContact O-N 3.43Å; W2312-R2314 VanDerWaalsContact C-N 3.31Å; W2312-R2314 PolarHBondContact O-N 2.92Å; W2312-V2315 HydrophobicContact CE3-CG2 4.33Å; W2312-K2320 WeakPolarHBondContact O-CE 3.47Å; W2312-K2320 PolarHBondContact O-NZ 2.76Å; W2312-I2323 HydrophobicContact CH2-CD1 3.95Å; W2312-I2323 HydrophobicContact CZ3-CD1 3.63Å
2313E95.1Very high95.8Very high133 Ų13369.2 Ų69.262%0.62131%0.313SS*.Hα-helixtrans-60.6-42.4174.1-78.9159.2-165.300110.8K2309 R2310 T2311 K2320K2309-E2313 WeakPolarHBondContact O-CB 3.45Å; K2309-E2313 VanDerWaalsContact O-CG 3.24Å; K2309-E2313 WeakPolarHBondContact O-CG 3.49Å; K2309-E2313 PolarHBondContact O-N 3.3Å; R2310-E2313 PolarHBondContact O-N 2.89Å; T2311-E2313 VanDerWaalsContact C-N 3.33Å; T2311-E2313 PolarHBondContact O-N 3.29Å; E2313-K2320 PolarHBondContact O-NZ 3.45Å
2314R96.1Very high95.9Very high155 Ų15570.5 Ų70.559%0.58532%0.315SS*.Hα-helixtrans-76.5-29.6-177.6-168.771.1172.493.3-0.8114.8L2267 V2271 R2310 T2311 W2312L2267-R2314 HydrophobicContact CD2-CB 3.78Å; L2267-R2314 HydrophobicContact CD2-CG 3.68Å; V2271-R2314 HydrophobicContact CG2-CB 3.79Å; V2271-R2314 HydrophobicContact CG2-CG 3.86Å; R2310-R2314 PolarHBondContact O-N 3.23Å; T2311-R2314 PolarHBondContact O-N 3.46Å; T2311-R2314 VanDerWaalsContact O-N 3.1Å; W2312-R2314 VanDerWaalsContact C-N 3.31Å; W2312-R2314 PolarHBondContact O-N 2.92Å
2315V96.8Very high96Very high3 Ų377.9 Ų77.92%0.01834%0.343CS..SBendtrans-52.9139.4175.5170.60000111.2V2271 I2274 T2311 W2312 T2319 K2320V2271-V2315 HydrophobicContact CB-CG2 4.47Å; V2271-V2315 HydrophobicContact CG1-CG2 4.2Å; V2271-V2315 HydrophobicContact CG2-CG2 4.08Å; I2274-V2315 HydrophobicContact CB-CG2 4.43Å; I2274-V2315 HydrophobicContact CD1-CG2 4.22Å; I2274-V2315 HydrophobicContact CG2-CG2 4.12Å; T2311-V2315 WeakPolarHBondContact O-CG2 3.27Å; T2311-V2315 PolarHBondContact O-N 3.32Å; T2311-V2315 VanDerWaalsContact O-N 3.07Å; W2312-V2315 HydrophobicContact CE3-CG2 4.33Å; V2315-T2319 HydrophobicContact CG1-CG2 3.96Å; V2315-K2320 HydrophobicContact CG1-CG 4.21Å; V2315-K2320 VanDerWaalsContact O-CE 3.31Å; V2315-K2320 WeakPolarHBondContact O-CE 3.18Å; V2315-K2320 PolarHBondContact O-NZ 2.87Å
2316S94.4Very high96Very high48 Ų4878 Ų7834%0.33634%0.343SS..  trans-64.1153.3-172.196.10000113.5Q2318 T2319 K2320S2316-Q2318 PolarHBondContact O-N 3.42Å; S2316-Q2318 PolarHBondContact OG-N 2.83Å; S2316-T2319 PolarHBondContact O-N 3.23Å; S2316-T2319 PolarHBondContact OG-N 2.83Å; S2316-T2319 PolarHBondContact OG-OG1 2.77Å; S2316-K2320 WeakPolarHBondContact O-CD 3.42Å; S2316-K2320 WeakPolarHBondContact O-CG 3.33Å; S2316-K2320 PolarHBondContact O-N 2.82Å; S2316-K2320 VanDerWaalsContact O-N 3.08Å
2317K94.6Very high96.1Very high174 Ų17473.3 Ų73.376%0.75733%0.327SS*.Hα-helixtrans-62.8-29.1173.6-71-178-179.7175.30112.4Q2321K2317-Q2321 WeakPolarHBondContact O-CG 3.45Å; K2317-Q2321 PolarHBondContact O-N 2.8Å
2318Q94.9Very high96.1Very high153 Ų15377.6 Ų77.672%0.71535%0.351SS*.Hα-helixtrans-73.3-45.9177.9-178.8171.8-16.600110.9S2316 K2320 Q2321 S2322S2316-Q2318 PolarHBondContact O-N 3.42Å; S2316-Q2318 PolarHBondContact OG-N 2.83Å; Q2318-K2320 VanDerWaalsContact C-N 3.33Å; Q2318-K2320 PolarHBondContact O-N 3.22Å; Q2318-Q2321 PolarHBondContact O-N 3.12Å; Q2318-Q2321 VanDerWaalsContact O-N 3.17Å; Q2318-S2322 PolarHBondContact O-N 2.91Å; Q2318-S2322 PolarHBondContact O-OG 3.23Å
2319T96.8Very high96.1Very high15 Ų1579.1 Ų79.19%0.09236%0.358CS..Hα-helixtrans-58.2-45.6175.3-42.50000111D2275 V2278 V2315 S2316 Q2321 S2322 I2323D2275-T2319 WeakPolarHBondContact OD1-CB 3.49Å; D2275-T2319 WeakPolarHBondContact OD1-CG2 3.37Å; D2275-T2319 PolarHBondContact OD1-OG1 2.86Å; V2278-T2319 HydrophobicContact CB-CG2 3.89Å; V2278-T2319 HydrophobicContact CG1-CG2 3.85Å; V2278-T2319 HydrophobicContact CG2-CG2 3.88Å; V2315-T2319 HydrophobicContact CG1-CG2 3.96Å; S2316-T2319 PolarHBondContact O-N 3.23Å; S2316-T2319 PolarHBondContact OG-N 2.83Å; S2316-T2319 PolarHBondContact OG-OG1 2.77Å; T2319-Q2321 PolarHBondContact O-N 3.12Å; T2319-S2322 WeakPolarHBondContact O-CB 3.39Å; T2319-S2322 PolarHBondContact O-N 3.34Å; T2319-I2323 HydrophobicContact CG2-CD1 4.3Å; T2319-I2323 WeakPolarHBondContact O-CG1 3.49Å; T2319-I2323 PolarHBondContact O-N 2.7Å
2320K96.4Very high96.1Very high63 Ų6373.7 Ų73.727%0.27434%0.335SS..Hα-helixtrans-55.9-46.9175-74.7160.4178.1155.80112.1W2312 E2313 V2315 S2316 Q2318 S2322 I2323 D2324W2312-K2320 WeakPolarHBondContact O-CE 3.47Å; W2312-K2320 PolarHBondContact O-NZ 2.76Å; E2313-K2320 PolarHBondContact O-NZ 3.45Å; V2315-K2320 HydrophobicContact CG1-CG 4.21Å; V2315-K2320 VanDerWaalsContact O-CE 3.31Å; V2315-K2320 WeakPolarHBondContact O-CE 3.18Å; V2315-K2320 PolarHBondContact O-NZ 2.87Å; S2316-K2320 WeakPolarHBondContact O-CD 3.42Å; S2316-K2320 WeakPolarHBondContact O-CG 3.33Å; S2316-K2320 PolarHBondContact O-N 2.82Å; S2316-K2320 VanDerWaalsContact O-N 3.08Å; Q2318-K2320 VanDerWaalsContact C-N 3.33Å; Q2318-K2320 PolarHBondContact O-N 3.22Å; K2320-S2322 VanDerWaalsContact C-N 3.31Å; K2320-S2322 PolarHBondContact O-N 3.36Å; K2320-I2323 WeakPolarHBondContact O-CB 3.38Å; K2320-I2323 PolarHBondContact O-N 3.04Å; K2320-D2324 PolarHBondContact O-N 3.02Å
2321Q96.7Very high96.1Very high98 Ų9868.6 Ų68.646%0.45832%0.322SS..Hα-helixtrans-64.1-32.5175.3-71.6177.922.600113.4K2317 Q2318 T2319 R2325K2317-Q2321 WeakPolarHBondContact O-CG 3.45Å; K2317-Q2321 PolarHBondContact O-N 2.8Å; Q2318-Q2321 PolarHBondContact O-N 3.12Å; Q2318-Q2321 VanDerWaalsContact O-N 3.17Å; T2319-Q2321 PolarHBondContact O-N 3.12Å; Q2321-R2325 WeakPolarHBondContact O-CD 3.48Å; Q2321-R2325 WeakPolarHBondContact O-CG 3.18Å; Q2321-R2325 PolarHBondContact O-N 2.78Å; Q2321-R2325 VanDerWaalsContact O-N 3.11Å
2322S96.7Very high95.8Very high27 Ų2770.7 Ų70.719%0.18934%0.337CS..Hα-helixtrans-68.2-42.5172.3-65.50000111.6Q2318 T2319 K2320 R2325 L2326Q2318-S2322 PolarHBondContact O-N 2.91Å; Q2318-S2322 PolarHBondContact O-OG 3.23Å; T2319-S2322 WeakPolarHBondContact O-CB 3.39Å; T2319-S2322 PolarHBondContact O-N 3.34Å; K2320-S2322 VanDerWaalsContact C-N 3.31Å; K2320-S2322 PolarHBondContact O-N 3.36Å; S2322-R2325 PolarHBondContact O-N 2.92Å; S2322-L2326 WeakPolarHBondContact O-CB 3.5Å; S2322-L2326 VanDerWaalsContact O-CG 3.26Å; S2322-L2326 WeakPolarHBondContact O-CG 3.28Å; S2322-L2326 PolarHBondContact O-N 3.01Å
2323I97.6Very high95.4Very high9 Ų973.3 Ų73.35%0.04635%0.354CS..Hα-helixtrans-58.5-49.6172.8-65.1166.7000110.3V2278 L2300 W2312 T2319 K2320 R2325 L2326 Q2327V2278-I2323 HydrophobicContact CB-CG1 4.48Å; V2278-I2323 HydrophobicContact CG1-CG1 4.12Å; V2278-I2323 HydrophobicContact CG2-CD1 3.77Å; V2278-I2323 HydrophobicContact CG2-CG1 3.45Å; V2278-I2323 VanDerWaalsContact CG2-CG1 3.45Å; L2300-I2323 HydrophobicContact CD1-CD1 4.3Å; L2300-I2323 HydrophobicContact CD1-CG1 4.15Å; W2312-I2323 HydrophobicContact CH2-CD1 3.95Å; W2312-I2323 HydrophobicContact CZ3-CD1 3.63Å; T2319-I2323 HydrophobicContact CG2-CD1 4.3Å; T2319-I2323 WeakPolarHBondContact O-CG1 3.49Å; T2319-I2323 PolarHBondContact O-N 2.7Å; K2320-I2323 WeakPolarHBondContact O-CB 3.38Å; K2320-I2323 PolarHBondContact O-N 3.04Å; I2323-R2325 VanDerWaalsContact C-N 3.29Å; I2323-R2325 PolarHBondContact O-N 3.03Å; I2323-L2326 PolarHBondContact O-N 3.09Å; I2323-Q2327 HydrophobicContact CG2-CG 4.14Å; I2323-Q2327 VanDerWaalsContact CG2-NE2 3.27Å; I2323-Q2327 WeakPolarHBondContact O-CB 3.42Å; I2323-Q2327 WeakPolarHBondContact O-CG 3.3Å; I2323-Q2327 PolarHBondContact O-N 3.38Å
2324D97.1Very high94.9Very high94 Ų9470 Ų7050%0.50336%0.355SS..Hα-helixtrans-56.3-42.9178.8-65.2-33.2000111.5K2320 M2328K2320-D2324 PolarHBondContact O-N 3.02Å; D2324-M2328 WeakPolarHBondContact O-CB 3.28Å; D2324-M2328 WeakPolarHBondContact O-CG 3.48Å; D2324-M2328 PolarHBondContact O-N 2.89Å
2325R97.3Very high94.6Very high157 Ų15769.4 Ų69.459%0.59235%0.353SS*.Hα-helixtrans-67.6-44.5177.8-71165.6-164.6162.48.2112.6Q2321 S2322 I2323 M2328 L2329Q2321-R2325 WeakPolarHBondContact O-CD 3.48Å; Q2321-R2325 WeakPolarHBondContact O-CG 3.18Å; Q2321-R2325 PolarHBondContact O-N 2.78Å; Q2321-R2325 VanDerWaalsContact O-N 3.11Å; S2322-R2325 PolarHBondContact O-N 2.92Å; I2323-R2325 VanDerWaalsContact C-N 3.29Å; I2323-R2325 PolarHBondContact O-N 3.03Å; R2325-M2328 PolarHBondContact O-N 3.31Å; R2325-L2329 PolarHBondContact O-N 2.78Å
2326L97.9Very high94.5Very high3 Ų370.7 Ų70.72%0.01636%0.358CS..Hα-helixtrans-65.4-44.4178.6-70164.8000110.5V2278 A2281 D2282 R2285 V2293 S2322 I2323 M2328 L2329 V2330V2278-L2326 HydrophobicContact CG1-CD1 4.35Å; A2281-L2326 HydrophobicContact CB-CD1 3.86Å; D2282-L2326 HydrophobicContact CB-CD1 4.45Å; R2285-L2326 HydrophobicContact CB-CD2 3.98Å; R2285-L2326 HydrophobicContact CG-CD2 4.41Å; V2293-L2326 HydrophobicContact CG1-CB 4.29Å; V2293-L2326 HydrophobicContact CG1-CD2 3.92Å; S2322-L2326 WeakPolarHBondContact O-CB 3.5Å; S2322-L2326 VanDerWaalsContact O-CG 3.26Å; S2322-L2326 WeakPolarHBondContact O-CG 3.28Å; S2322-L2326 PolarHBondContact O-N 3.01Å; I2323-L2326 PolarHBondContact O-N 3.09Å; L2326-M2328 PolarHBondContact O-N 3.21Å; L2326-L2329 WeakPolarHBondContact O-CB 3.33Å; L2326-L2329 PolarHBondContact O-N 2.94Å; L2326-L2329 VanDerWaalsContact O-N 3.17Å; L2326-V2330 WeakPolarHBondContact O-CG2 3.39Å; L2326-V2330 PolarHBondContact O-N 3.37Å; L2326-V2330 VanDerWaalsContact O-N 3.16Å
2327Q96.6Very high94.4Very high63 Ų6371.7 Ų71.729%0.29436%0.357SS..Hα-helixtrans-63.5-39.9174.7-71.4-177.37.400112.3C2297 I2323 L2329 V2330 A2331C2297-Q2327 HydrophobicContact CB-CG 4.22Å; I2323-Q2327 HydrophobicContact CG2-CG 4.14Å; I2323-Q2327 VanDerWaalsContact CG2-NE2 3.27Å; I2323-Q2327 WeakPolarHBondContact O-CB 3.42Å; I2323-Q2327 WeakPolarHBondContact O-CG 3.3Å; I2323-Q2327 PolarHBondContact O-N 3.38Å; Q2327-L2329 VanDerWaalsContact C-N 3.28Å; Q2327-L2329 PolarHBondContact O-N 3.01Å; Q2327-V2330 CarbonylContact O-C 3.41Å; Q2327-V2330 PolarHBondContact O-N 3.31Å; Q2327-A2331 WeakPolarHBondContact O-CA 3.42Å; Q2327-A2331 VanDerWaalsContact O-CB 3.3Å; Q2327-A2331 WeakPolarHBondContact O-CB 3.33Å; Q2327-A2331 PolarHBondContact O-N 3.08Å
2328M95.5Very high94.4Very high136 Ų13665.3 Ų65.367%0.6733%0.334SS*.Hα-helixtrans-63.3-31.1173.3-84.9-172.360.100113.6D2324 R2325 L2326 S2338D2324-M2328 WeakPolarHBondContact O-CB 3.28Å; D2324-M2328 WeakPolarHBondContact O-CG 3.48Å; D2324-M2328 PolarHBondContact O-N 2.89Å; R2325-M2328 PolarHBondContact O-N 3.31Å; L2326-M2328 PolarHBondContact O-N 3.21Å; M2328-S2338 WeakPolarHBondContact O-CB 3.44Å; M2328-S2338 PolarHBondContact O-OG 2.76Å
2329L95.1Very high94.4Very high33 Ų3358 Ų5817%0.17330%0.3CS..Hα-helixtrans-71.6-43.4178.4175.463.3000111.9R2285 Y2290 R2325 L2326 Q2327 S2338 M2339 A2342R2285-L2329 HydrophobicContact CG-CD2 3.6Å; Y2290-L2329 HydrophobicContact CD1-CD2 4.29Å; Y2290-L2329 HydrophobicContact CD1-CG 4.43Å; Y2290-L2329 HydrophobicContact CE1-CD1 4.19Å; Y2290-L2329 HydrophobicContact CE1-CD2 4.01Å; Y2290-L2329 HydrophobicContact CE1-CG 4.28Å; R2325-L2329 PolarHBondContact O-N 2.78Å; L2326-L2329 WeakPolarHBondContact O-CB 3.33Å; L2326-L2329 PolarHBondContact O-N 2.94Å; L2326-L2329 VanDerWaalsContact O-N 3.17Å; Q2327-L2329 VanDerWaalsContact C-N 3.28Å; Q2327-L2329 PolarHBondContact O-N 3.01Å; L2329-S2338 CarbonylContact O-C 3.6Å; L2329-S2338 VanDerWaalsContact O-CB 3.3Å; L2329-S2338 WeakPolarHBondContact O-CB 3.37Å; L2329-M2339 WeakPolarHBondContact O-CA 3.2Å; L2329-M2339 WeakPolarHBondContact O-CB 3.37Å; L2329-M2339 PolarHBondContact O-N 3.18Å; L2329-M2339 VanDerWaalsContact O-N 3.15Å; L2329-A2342 HydrophobicContact CD1-CB 3.76Å
2330V95.6Very high94.3Very high5 Ų559.8 Ų59.83%0.0331%0.305CS..SBendtrans-99.714.1180-55.80000113.7V2293 L2294 C2297 L2326 Q2327 F2336 M2339V2293-V2330 HydrophobicContact CB-CG1 4.05Å; V2293-V2330 HydrophobicContact CG1-CG1 3.61Å; V2293-V2330 HydrophobicContact CG1-CG2 4.35Å; L2294-V2330 HydrophobicContact CB-CB 4.12Å; L2294-V2330 HydrophobicContact CB-CG1 4.26Å; L2294-V2330 HydrophobicContact CB-CG2 4.16Å; L2294-V2330 HydrophobicContact CD1-CB 3.97Å; L2294-V2330 HydrophobicContact CD1-CG2 3.6Å; L2294-V2330 HydrophobicContact CG-CG2 4.44Å; C2297-V2330 HydrophobicContact CB-CG2 4.13Å; L2326-V2330 WeakPolarHBondContact O-CG2 3.39Å; L2326-V2330 PolarHBondContact O-N 3.37Å; L2326-V2330 VanDerWaalsContact O-N 3.16Å; Q2327-V2330 CarbonylContact O-C 3.41Å; Q2327-V2330 PolarHBondContact O-N 3.31Å; V2330-F2336 WeakPolarHBondContact O-CD1 3.27Å; V2330-F2336 WeakPolarHBondContact O-CE1 3.38Å; V2330-M2339 HydrophobicContact CB-SD 4.41Å; V2330-M2339 HydrophobicContact CG1-SD 4.17Å
2331A93.1Very high94.2Very high26 Ų2659.2 Ų59.222%0.21530%0.303CS..  trans-58.8140.5179.900000111.4Q2327 D2333 F2336Q2327-A2331 WeakPolarHBondContact O-CA 3.42Å; Q2327-A2331 VanDerWaalsContact O-CB 3.3Å; Q2327-A2331 WeakPolarHBondContact O-CB 3.33Å; Q2327-A2331 PolarHBondContact O-N 3.08Å; A2331-D2333 WeakPolarHBondContact CB-OD1 3.22Å; A2331-D2333 PolarHBondContact O-N 3.11Å; A2331-F2336 WeakPolarHBondContact O-CA 3.43Å; A2331-F2336 WeakPolarHBondContact O-CD1 3.5Å
2332S90.4Very high94Very high45 Ų4555.1 Ų55.132%0.31529%0.286SS..  trans-72-6.9177.257.50000113.9R2335 F2336S2332-R2335 WeakPolarHBondContact O-CA 3.5Å; S2332-R2335 PolarHBondContact O-N 2.89Å; S2332-R2335 VanDerWaalsContact O-N 3.12Å; S2332-F2336 PolarHBondContact O-N 3.1Å; S2332-F2336 VanDerWaalsContact O-N 3.16Å
2333D88.4Confident93.8Very high99 Ų9953.9 Ų53.953%0.52928%0.277SS..Hα-helixtrans-65.8144.2-173.184.5-68000112.3A2331 R2335 F2336 K2337A2331-D2333 WeakPolarHBondContact CB-OD1 3.22Å; A2331-D2333 PolarHBondContact O-N 3.11Å; D2333-R2335 PolarHBondContact O-N 3.17Å; D2333-R2335 VanDerWaalsContact O-N 3.13Å; D2333-F2336 PolarHBondContact O-N 2.95Å; D2333-F2336 VanDerWaalsContact O-N 3.14Å; D2333-K2337 PolarHBondContact O-N 2.97Å
2334G85.2Confident93.4Very high63 Ų6359.4 Ų59.465%0.64930%0.302SS*.Hα-helixtrans61.816.5-171.500000115.3
2335R89.2Confident93Very high143 Ų14363 Ų6354%0.5431%0.309SS..Hα-helixtrans67.355.1-166.8-52.3-177.3-177.8-172.3-0.5112.6S2332 D2333 R2340S2332-R2335 WeakPolarHBondContact O-CA 3.5Å; S2332-R2335 PolarHBondContact O-N 2.89Å; S2332-R2335 VanDerWaalsContact O-N 3.12Å; D2333-R2335 PolarHBondContact O-N 3.17Å; D2333-R2335 VanDerWaalsContact O-N 3.13Å; R2335-R2340 PolarHBondContact O-NE 2.99Å
2336F94.4Very high92.3Very high30 Ų3056.6 Ų56.613%0.13229%0.288CS..Hα-helixtrans62.644.1-176.9-58.5-85000114.3L2294 V2330 A2331 S2332 D2333 S2338 M2339 R2340 Y2353 M2356L2294-F2336 HydrophobicContact CD2-CE1 4.31Å; V2330-F2336 WeakPolarHBondContact O-CD1 3.27Å; V2330-F2336 WeakPolarHBondContact O-CE1 3.38Å; A2331-F2336 WeakPolarHBondContact O-CA 3.43Å; A2331-F2336 WeakPolarHBondContact O-CD1 3.5Å; S2332-F2336 PolarHBondContact O-N 3.1Å; S2332-F2336 VanDerWaalsContact O-N 3.16Å; D2333-F2336 PolarHBondContact O-N 2.95Å; D2333-F2336 VanDerWaalsContact O-N 3.14Å; F2336-S2338 PolarHBondContact O-N 3.45Å; F2336-M2339 HydrophobicContact CB-CB 4.28Å; F2336-M2339 HydrophobicContact CB-CE 3.92Å; F2336-M2339 HydrophobicContact CD1-CE 3.72Å; F2336-M2339 HydrophobicContact CE1-CE 4.38Å; F2336-M2339 HydrophobicContact CG-CE 3.87Å; F2336-M2339 PolarHBondContact O-N 2.83Å; F2336-R2340 WeakPolarHBondContact O-CG 3.37Å; F2336-R2340 PolarHBondContact O-N 3.22Å; F2336-Y2353 HydrophobicContact CE1-CD1 4.34Å; F2336-Y2353 HydrophobicContact CE1-CE1 4.4Å; F2336-Y2353 HydrophobicContact CE2-CD1 4.36Å; F2336-Y2353 HydrophobicContact CE2-CE1 4.06Å; F2336-Y2353 HydrophobicContact CZ-CD1 4.03Å; F2336-Y2353 AromaticContact CZ-CE1 3.71Å; F2336-Y2353 HydrophobicContact CZ-CE1 3.71Å; F2336-M2356 HydrophobicContact CB-CG 4.31Å; F2336-M2356 HydrophobicContact CB-SD 3.74Å; F2336-M2356 HydrophobicContact CD2-CB 4.16Å; F2336-M2356 HydrophobicContact CD2-CG 3.96Å; F2336-M2356 HydrophobicContact CD2-SD 4.45Å; F2336-M2356 HydrophobicContact CG-CG 4.43Å; F2336-M2356 HydrophobicContact CG-SD 4.33Å
2337K93.8Very high91.6Very high70 Ų7063.1 Ų63.130%0.30432%0.323SS..Hα-helixtrans-56.4-49.9-175.5-172.6179.3-168.3-74.90112.3E225 D2333 M2339 R2340 E2341E225-K2337 IonicContact OE1-NZ 3.99Å; E225-K2337 PolarHBondContact OE1-NZ 3.33Å; E225-K2337 IonicContact OE2-NZ 2.71Å; E225-K2337 PolarHBondContact OE2-NZ 3.08Å; D2333-K2337 PolarHBondContact O-N 2.97Å; K2337-M2339 VanDerWaalsContact C-N 3.33Å; K2337-M2339 PolarHBondContact O-N 2.92Å; K2337-R2340 PolarHBondContact O-N 3.02Å; K2337-E2341 IonicContact NZ-OE1 3.27Å; K2337-E2341 PolarHBondContact NZ-OE1 2.96Å; K2337-E2341 WeakPolarHBondContact O-CG 3.42Å; K2337-E2341 PolarHBondContact O-N 3.44Å
2338S93.9Very high91.1Very high40 Ų4061.8 Ų61.828%0.2832%0.319SS..Hα-helixtrans-56.8-44.5179.3-56.70000112.6M2328 L2329 F2336 A2342M2328-S2338 WeakPolarHBondContact O-CB 3.44Å; M2328-S2338 PolarHBondContact O-OG 2.76Å; L2329-S2338 CarbonylContact O-C 3.6Å; L2329-S2338 VanDerWaalsContact O-CB 3.3Å; L2329-S2338 WeakPolarHBondContact O-CB 3.37Å; F2336-S2338 PolarHBondContact O-N 3.45Å; S2338-A2342 WeakPolarHBondContact O-CB 3.39Å; S2338-A2342 PolarHBondContact O-N 3.2Å
2339M95.1Very high91Very high0 Ų057 Ų570%030%0.299CS..Hα-helixtrans-72.2-40.2-178.2-170.1169.567.400112.1Y2290 L2329 V2330 F2336 K2337 A2342 L2343 Y2353 M2356Y2290-M2339 HydrophobicContact CD1-CG 4.28Å; Y2290-M2339 HydrophobicContact CG-CG 4.34Å; L2329-M2339 WeakPolarHBondContact O-CA 3.2Å; L2329-M2339 WeakPolarHBondContact O-CB 3.37Å; L2329-M2339 PolarHBondContact O-N 3.18Å; L2329-M2339 VanDerWaalsContact O-N 3.15Å; V2330-M2339 HydrophobicContact CB-SD 4.41Å; V2330-M2339 HydrophobicContact CG1-SD 4.17Å; F2336-M2339 HydrophobicContact CB-CB 4.28Å; F2336-M2339 HydrophobicContact CB-CE 3.92Å; F2336-M2339 HydrophobicContact CD1-CE 3.72Å; F2336-M2339 HydrophobicContact CE1-CE 4.38Å; F2336-M2339 HydrophobicContact CG-CE 3.87Å; F2336-M2339 PolarHBondContact O-N 2.83Å; K2337-M2339 VanDerWaalsContact C-N 3.33Å; K2337-M2339 PolarHBondContact O-N 2.92Å; M2339-A2342 WeakPolarHBondContact O-CB 3.37Å; M2339-A2342 PolarHBondContact O-N 3.43Å; M2339-A2342 VanDerWaalsContact O-N 3.15Å; M2339-L2343 HydrophobicContact CG-CD1 4.18Å; M2339-L2343 WeakPolarHBondContact O-CG 3.16Å; M2339-L2343 PolarHBondContact O-N 2.91Å; M2339-Y2353 HydrophobicContact CE-CD1 4.12Å; M2339-Y2353 HydrophobicContact CE-CG 4.44Å; M2339-M2356 HydrophobicContact CE-CB 4.37Å; M2339-M2356 HydrophobicContact CE-CE 4.45Å; M2339-M2356 HydrophobicContact CE-SD 3.67Å
2340R94.8Very high91Very high52 Ų5255.5 Ų55.520%0.19629%0.291CS..Hα-helixtrans-61.8-45174.7-70179.7-166.1-99.99.1111.9R2335 F2336 K2337 A2342 L2343 H2344 M2356 D2360R2335-R2340 PolarHBondContact O-NE 2.99Å; F2336-R2340 WeakPolarHBondContact O-CG 3.37Å; F2336-R2340 PolarHBondContact O-N 3.22Å; K2337-R2340 PolarHBondContact O-N 3.02Å; R2340-A2342 VanDerWaalsContact C-N 3.26Å; R2340-A2342 PolarHBondContact O-N 3.49Å; R2340-L2343 PolarHBondContact O-N 2.92Å; R2340-H2344 WeakPolarHBondContact O-CB 3.38Å; R2340-H2344 PolarHBondContact O-CD2 3.45Å; R2340-H2344 PolarHBondContact O-N 3.33Å; R2340-M2356 HydrophobicContact CG-CE 3.92Å; R2340-M2356 HydrophobicContact CG-SD 3.42Å; R2340-M2356 WeakPolarHBondContact CG-SD 3.48Å; R2340-M2356 VanDerWaalsContact NH2-CG 3.32Å; R2340-D2360 IonicContact CZ-OD2 2.94Å; R2340-D2360 IonicContact NH1-OD2 3.16Å; R2340-D2360 PolarHBondContact NH1-OD2 3.09Å; R2340-D2360 VanDerWaalsContact NH2-CG 3.32Å; R2340-D2360 IonicContact NH2-OD1 3.13Å; R2340-D2360 PolarHBondContact NH2-OD1 3.09Å; R2340-D2360 VanDerWaalsContact NH2-OD1 3.16Å; R2340-D2360 IonicContact NH2-OD2 2.83Å; R2340-D2360 PolarHBondContact NH2-OD2 3.45Å
2341E93.7Very high91Very high51 Ų5155.3 Ų55.324%0.23829%0.29CS..Hα-helixtrans-67.2-26.8174.9-66.4-176.4-149.800113.3K2337 R2345K2337-E2341 IonicContact NZ-OE1 3.27Å; K2337-E2341 PolarHBondContact NZ-OE1 2.96Å; K2337-E2341 WeakPolarHBondContact O-CG 3.42Å; K2337-E2341 PolarHBondContact O-N 3.44Å; E2341-R2345 WeakPolarHBondContact O-CB 3.26Å; E2341-R2345 WeakPolarHBondContact O-CG 3.47Å; E2341-R2345 VanDerWaalsContact O-CZ 3.27Å; E2341-R2345 PolarHBondContact O-N 3.41Å; E2341-R2345 PolarHBondContact O-NE 3.23Å; E2341-R2345 PolarHBondContact O-NH2 3.48Å; E2341-R2345 IonicContact OE2-CZ 2.74Å; E2341-R2345 IonicContact OE2-NH1 2.66Å; E2341-R2345 PolarHBondContact OE2-NH1 3.01Å; E2341-R2345 IonicContact OE2-NH2 3.59Å; E2341-R2345 PolarHBondContact OE2-NH2 3.36Å
2342A93.2Very high91.1Very high11 Ų1154.1 Ų54.19%0.09128%0.28CS..Hα-helixtrans-71.1-46.4173.700000111Y2290 L2329 S2338 M2339 R2340 R2345 C2346Y2290-A2342 HydrophobicContact CE1-CB 3.81Å; L2329-A2342 HydrophobicContact CD1-CB 3.76Å; S2338-A2342 WeakPolarHBondContact O-CB 3.39Å; S2338-A2342 PolarHBondContact O-N 3.2Å; M2339-A2342 WeakPolarHBondContact O-CB 3.37Å; M2339-A2342 PolarHBondContact O-N 3.43Å; M2339-A2342 VanDerWaalsContact O-N 3.15Å; R2340-A2342 VanDerWaalsContact C-N 3.26Å; R2340-A2342 PolarHBondContact O-N 3.49Å; A2342-R2345 CarbonylContact O-C 3.51Å; A2342-R2345 PolarHBondContact O-N 3.21Å; A2342-R2345 VanDerWaalsContact O-N 3.14Å; A2342-C2346 PolarHBondContact O-N 3.11Å; A2342-C2346 PolarHBondContact O-SG 3.44Å
2343L92.8Very high91.4Very high1 Ų152.9 Ų52.91%0.00527%0.268CS..Hα-helixtrans-59.9-43.9174.2-71.6164.5000112.1Y2290 M2339 R2340 R2345 C2346 C2350 P2352 M2356Y2290-L2343 HydrophobicContact CD2-CD2 3.57Å; Y2290-L2343 HydrophobicContact CD2-CG 4.19Å; Y2290-L2343 HydrophobicContact CE2-CD2 3.77Å; Y2290-L2343 HydrophobicContact CE2-CG 4.28Å; M2339-L2343 HydrophobicContact CG-CD1 4.18Å; M2339-L2343 WeakPolarHBondContact O-CG 3.16Å; M2339-L2343 PolarHBondContact O-N 2.91Å; R2340-L2343 PolarHBondContact O-N 2.92Å; L2343-R2345 PolarHBondContact O-N 3.42Å; L2343-C2346 WeakPolarHBondContact O-CB 3.39Å; L2343-C2346 PolarHBondContact O-N 3.1Å; L2343-C2350 VanDerWaalsContact CD2-SG 3.57Å; L2343-P2352 HydrophobicContact CD1-CB 3.82Å; L2343-P2352 HydrophobicContact CD2-CB 3.9Å; L2343-M2356 HydrophobicContact CD1-CE 3.86Å
2344H88.3Confident91.7Very high125 Ų12548.2 Ų48.258%0.57924%0.243SC*.THydrogen-bonded Turntrans-71-9.5178.1-71.8-162.6000113.7R2340 E2391R2340-H2344 WeakPolarHBondContact O-CB 3.38Å; R2340-H2344 PolarHBondContact O-CD2 3.45Å; R2340-H2344 PolarHBondContact O-N 3.33Å; H2344-E2391 IonicContact CD2-OE1 2.97Å; H2344-E2391 IonicContact CE1-OE1 4Å; H2344-E2391 IonicContact NE2-OE1 3.94Å; H2344-E2391 PolarHBondContact NE2-OE1 2.99Å
2345R87.7Confident92.1Very high171 Ų17145.3 Ų45.365%0.64521%0.214SC*.THydrogen-bonded Turntrans-11013.4171.2-66.3-177.5-68.6-118.52112.3E2341 A2342 L2343E2341-R2345 WeakPolarHBondContact O-CB 3.26Å; E2341-R2345 WeakPolarHBondContact O-CG 3.47Å; E2341-R2345 VanDerWaalsContact O-CZ 3.27Å; E2341-R2345 PolarHBondContact O-N 3.41Å; E2341-R2345 PolarHBondContact O-NE 3.23Å; E2341-R2345 PolarHBondContact O-NH2 3.48Å; E2341-R2345 IonicContact OE2-CZ 2.74Å; E2341-R2345 IonicContact OE2-NH1 2.66Å; E2341-R2345 PolarHBondContact OE2-NH1 3.01Å; E2341-R2345 IonicContact OE2-NH2 3.59Å; E2341-R2345 PolarHBondContact OE2-NH2 3.36Å; A2342-R2345 CarbonylContact O-C 3.51Å; A2342-R2345 PolarHBondContact O-N 3.21Å; A2342-R2345 VanDerWaalsContact O-N 3.14Å; L2343-R2345 PolarHBondContact O-N 3.42Å
2346C84Confident92.4Very high21 Ų2138.6 Ų38.614%0.14219%0.188CC..  trans-107.5122.1179.3-88.60000112Q2288 Y2290 A2342 L2343Q2288-C2346 PolarHBondContact OE1-SG 3.34Å; Q2288-C2346 VanDerWaalsContact OE1-SG 3.42Å; Y2290-C2346 PolarHBondContact OH-SG 3.34Å; A2342-C2346 PolarHBondContact O-N 3.11Å; A2342-C2346 PolarHBondContact O-SG 3.44Å; L2343-C2346 WeakPolarHBondContact O-CB 3.39Å; L2343-C2346 PolarHBondContact O-N 3.1Å
2347D81.8Confident92.4Very high141 Ų14137.2 Ų37.275%0.75418%0.182SC*.PPolyproline II helixtrans-76.5122.9161.4-66.7-52.7000109.2Q2288Q2288-D2347 PolarHBondContact NE2-O 3.43Å; Q2288-D2347 PolarHBondContact OE1-O 3.23Å; Q2288-D2347 VanDerWaalsContact OE1-O 3.09Å
2348P87.8Confident92.5Very high34 Ų3433.9 Ų33.922%0.22117%0.168CC..SBendtrans-57.8153.2-179.7-25.635.1000113.1Y2395P2348-Y2395 HydrophobicContact CG-CD1 4.12Å
2349P93Very high92.5Very high37 Ų3735.2 Ų35.224%0.2417%0.174CC..SBendcis-83.7136.418.732.9-35.9000114.3Q2288 T2398 Y2400Q2288-P2349 PolarHBondContact OE1-O 3.27Å; P2349-T2398 HydrophobicContact CB-CG2 4.2Å; P2349-T2398 WeakPolarHBondContact CB-O 3.29Å; P2349-T2398 HydrophobicContact CG-CG2 4.4Å; P2349-Y2400 HydrophobicContact CB-CD1 4.09Å; P2349-Y2400 HydrophobicContact CB-CD2 3.89Å; P2349-Y2400 HydrophobicContact CB-CE1 4.03Å; P2349-Y2400 HydrophobicContact CB-CE2 3.84Å; P2349-Y2400 HydrophobicContact CB-CG 4.03Å; P2349-Y2400 HydrophobicContact CG-CD1 3.86Å; P2349-Y2400 HydrophobicContact CG-CE1 3.93Å; P2349-Y2400 HydrophobicContact CG-CG 4.19Å; P2349-Y2400 PolarHBondContact O-OH 2.94Å
2350C94.4Very high92.4Very high0 Ų036.3 Ų36.30%018%0.18CC..  trans-143.1159.1173.187.80000110.8Q2288 L2343 Y2395 Y2400Q2288-C2350 HydrophobicContact CB-CB 3.55Å; Q2288-C2350 WeakPolarHBondContact O-CA 3.25Å; Q2288-C2350 WeakPolarHBondContact O-CB 3.4Å; Q2288-C2350 VanDerWaalsContact OE1-CB 3.26Å; L2343-C2350 VanDerWaalsContact CD2-SG 3.57Å; C2350-Y2395 WeakPolarHBondContact SG-CD1 3.43Å; C2350-Y2400 VanDerWaalsContact CA-OH 3.31Å; C2350-Y2400 WeakPolarHBondContact CA-OH 3.35Å
2351I96.1Very high92.4Very high2 Ų233.9 Ų33.91%0.0117%0.171CC..BIsolated β-bridgetrans-120.2106.5172.9-44.6-175.6000109.7T2211 D2214 F2215 F2218 Q2288 N2289 Y2290 N2291 Y2400T2211-I2351 HydrophobicContact CG2-CD1 3.95Å; T2211-I2351 WeakPolarHBondContact O-CD1 3.49Å; D2214-I2351 HydrophobicContact CB-CD1 3.8Å; F2215-I2351 HydrophobicContact CB-CD1 3.84Å; F2215-I2351 HydrophobicContact CD2-CG1 4.33Å; F2218-I2351 HydrophobicContact CB-CG2 4.36Å; F2218-I2351 HydrophobicContact CD1-CG2 4.35Å; F2218-I2351 HydrophobicContact CG-CG2 4.24Å; Q2288-I2351 PolarHBondContact O-N 3.03Å; N2289-I2351 HydrophobicContact CB-CD1 4.37Å; N2289-I2351 HydrophobicContact CB-CG1 4.43Å; Y2290-I2351 WeakPolarHBondContact CB-O 3.43Å; Y2290-I2351 PolarHBondContact N-O 2.8Å; N2291-I2351 HydrophobicContact CB-CB 4.38Å; N2291-I2351 HydrophobicContact CB-CG2 3.79Å; N2291-I2351 PolarHBondContact N-O 3Å; N2291-I2351 VanDerWaalsContact N-O 3.15Å; I2351-Y2400 HydrophobicContact CD1-CE2 4.06Å; I2351-Y2400 HydrophobicContact CG1-CE2 3.7Å
2352P95.3Very high92.4Very high1 Ų132.3 Ų32.31%0.00617%0.165CC..  trans-75.3155.2173.432.5-35.2000111.5F2218 L2343 L2354 Y2357 Y2395F2218-P2352 HydrophobicContact CE1-CG 4.24Å; F2218-P2352 HydrophobicContact CE2-CG 3.88Å; F2218-P2352 HydrophobicContact CZ-CG 3.51Å; L2343-P2352 HydrophobicContact CD1-CB 3.82Å; L2343-P2352 HydrophobicContact CD2-CB 3.9Å; P2352-L2354 PolarHBondContact O-N 3.32Å; P2352-Y2357 HydrophobicContact CB-CE2 3.78Å; P2352-Y2357 HydrophobicContact CG-CE2 4Å; P2352-Y2395 HydrophobicContact CG-CD2 3.95Å; P2352-Y2395 HydrophobicContact CG-CG 4.49Å
2353Y96Very high92.3Very high19 Ų1937.6 Ų37.68%0.07519%0.187CC..  trans-72.6108.8167.3167.3-118.3000110.6G1827 F2250 L2294 F2336 M2339 G2355 M2356G1827-Y2353 PolarHBondContact O-OH 3.36Å; F2250-Y2353 HydrophobicContact CD2-CD2 4.3Å; F2250-Y2353 HydrophobicContact CD2-CE2 4.32Å; F2250-Y2353 HydrophobicContact CE2-CD2 4.01Å; F2250-Y2353 HydrophobicContact CE2-CE2 4.01Å; F2250-Y2353 HydrophobicContact CZ-CE2 4.35Å; L2294-Y2353 HydrophobicContact CD2-CD1 3.63Å; L2294-Y2353 HydrophobicContact CD2-CD2 3.7Å; L2294-Y2353 HydrophobicContact CD2-CE1 3.97Å; L2294-Y2353 HydrophobicContact CD2-CE2 4.03Å; L2294-Y2353 HydrophobicContact CD2-CG 3.47Å; L2294-Y2353 VanDerWaalsContact CD2-CG 3.47Å; F2336-Y2353 HydrophobicContact CE1-CD1 4.34Å; F2336-Y2353 HydrophobicContact CE1-CE1 4.4Å; F2336-Y2353 HydrophobicContact CE2-CD1 4.36Å; F2336-Y2353 HydrophobicContact CE2-CE1 4.06Å; F2336-Y2353 HydrophobicContact CZ-CD1 4.03Å; F2336-Y2353 AromaticContact CZ-CE1 3.71Å; F2336-Y2353 HydrophobicContact CZ-CE1 3.71Å; M2339-Y2353 HydrophobicContact CE-CD1 4.12Å; M2339-Y2353 HydrophobicContact CE-CG 4.44Å; Y2353-G2355 VanDerWaalsContact C-N 3.3Å; Y2353-G2355 PolarHBondContact O-N 2.92Å; Y2353-M2356 HydrophobicContact CD1-CB 4.04Å; Y2353-M2356 WeakPolarHBondContact O-CB 3.2Å; Y2353-M2356 PolarHBondContact O-N 2.76Å
2354L95.4Very high92.3Very high1 Ų138.7 Ų38.71%0.00519%0.192CC..Hα-helixtrans-56.1-38.4-173.8-175.867.1000113.7F2218 I2221 V2243 V2246 P2352 M2356 Y2357 L2358F2218-L2354 HydrophobicContact CE2-CD1 4.5Å; I2221-L2354 HydrophobicContact CD1-CD1 3.97Å; I2221-L2354 HydrophobicContact CD1-CD2 3.54Å; I2221-L2354 HydrophobicContact CD1-CG 4.37Å; V2243-L2354 HydrophobicContact CG1-CD2 4.05Å; V2246-L2354 HydrophobicContact CB-CD2 4.15Å; V2246-L2354 HydrophobicContact CG1-CB 4.22Å; V2246-L2354 HydrophobicContact CG1-CD2 4.09Å; V2246-L2354 HydrophobicContact CG2-CD2 4.45Å; P2352-L2354 PolarHBondContact O-N 3.32Å; L2354-M2356 PolarHBondContact O-N 2.99Å; L2354-M2356 VanDerWaalsContact O-N 3.08Å; L2354-Y2357 PolarHBondContact O-N 3.03Å; L2354-L2358 HydrophobicContact CD2-CD1 4.38Å; L2354-L2358 HydrophobicContact CG-CD1 4.23Å; L2354-L2358 HydrophobicContact CG-CD2 4.31Å; L2354-L2358 HydrophobicContact CG-CG 4.08Å; L2354-L2358 PolarHBondContact O-N 3.07Å
2355G93.6Very high92.3Very high2 Ų233.6 Ų33.62%0.02117%0.169CC..Hα-helixtrans-58.7-24.5-177.400000114.3Y2353 T2359Y2353-G2355 VanDerWaalsContact C-N 3.3Å; Y2353-G2355 PolarHBondContact O-N 2.92Å; G2355-T2359 WeakPolarHBondContact O-CB 3.43Å; G2355-T2359 PolarHBondContact O-N 3.46Å; G2355-T2359 VanDerWaalsContact O-N 3.08Å; G2355-T2359 PolarHBondContact O-OG1 3.36Å
2356M94.4Very high92.4Very high1 Ų132.5 Ų32.51%0.00517%0.171CC..Hα-helixtrans-61.3-48.1171-178.3-178.973.100111.8F2336 M2339 R2340 L2343 Y2353 L2354 T2359 D2360F2336-M2356 HydrophobicContact CB-CG 4.31Å; F2336-M2356 HydrophobicContact CB-SD 3.74Å; F2336-M2356 HydrophobicContact CD2-CB 4.16Å; F2336-M2356 HydrophobicContact CD2-CG 3.96Å; F2336-M2356 HydrophobicContact CD2-SD 4.45Å; F2336-M2356 HydrophobicContact CG-CG 4.43Å; F2336-M2356 HydrophobicContact CG-SD 4.33Å; M2339-M2356 HydrophobicContact CE-CB 4.37Å; M2339-M2356 HydrophobicContact CE-CE 4.45Å; M2339-M2356 HydrophobicContact CE-SD 3.67Å; R2340-M2356 HydrophobicContact CG-CE 3.92Å; R2340-M2356 HydrophobicContact CG-SD 3.42Å; R2340-M2356 WeakPolarHBondContact CG-SD 3.48Å; R2340-M2356 VanDerWaalsContact NH2-CG 3.32Å; L2343-M2356 HydrophobicContact CD1-CE 3.86Å; Y2353-M2356 HydrophobicContact CD1-CB 4.04Å; Y2353-M2356 WeakPolarHBondContact O-CB 3.2Å; Y2353-M2356 PolarHBondContact O-N 2.76Å; L2354-M2356 PolarHBondContact O-N 2.99Å; L2354-M2356 VanDerWaalsContact O-N 3.08Å; M2356-T2359 PolarHBondContact O-N 2.96Å; M2356-D2360 PolarHBondContact O-N 3.29Å
2357Y95.7Very high92.4Very high1 Ų134.5 Ų34.50%0.00420%0.195CC..Hα-helixtrans-75-35.4-179.8-66.4-60.7000112.4P2352 L2354 T2359 D2360 L2361 V2388 E2391 V2392P2352-Y2357 HydrophobicContact CB-CE2 3.78Å; P2352-Y2357 HydrophobicContact CG-CE2 4Å; L2354-Y2357 PolarHBondContact O-N 3.03Å; Y2357-T2359 VanDerWaalsContact C-N 3.26Å; Y2357-T2359 PolarHBondContact O-N 3.32Å; Y2357-D2360 PolarHBondContact O-N 3.49Å; Y2357-L2361 WeakPolarHBondContact O-CG 3.36Å; Y2357-L2361 PolarHBondContact O-N 3.02Å; Y2357-V2388 HydrophobicContact CD1-CG1 3.81Å; Y2357-V2388 HydrophobicContact CG-CG1 4.29Å; Y2357-E2391 HydrophobicContact CE1-CG 4.18Å; Y2357-E2391 WeakPolarHBondContact CE1-OE1 3.47Å; Y2357-E2391 PolarHBondContact OH-OE1 2.92Å; Y2357-V2392 HydrophobicContact CD1-CG2 4.36Å; Y2357-V2392 HydrophobicContact CD2-CG2 3.55Å; Y2357-V2392 HydrophobicContact CE2-CG2 4.07Å; Y2357-V2392 HydrophobicContact CG-CG2 3.71Å
2358L95.8Very high92.6Very high1 Ų129.5 Ų29.51%0.00517%0.174CC..Hα-helixtrans-58.9-40171.7-58.3-177.6000111.3V1829 L2226 W2231 V2243 L2354 D2360 L2361 S2362V1829-L2358 HydrophobicContact CB-CD1 4.49Å; V1829-L2358 HydrophobicContact CG1-CD1 4.35Å; L2226-L2358 HydrophobicContact CD2-CD2 3.64Å; W2231-L2358 HydrophobicContact CD2-CD2 3.96Å; W2231-L2358 HydrophobicContact CE3-CD2 4Å; W2231-L2358 HydrophobicContact CH2-CD2 4.02Å; W2231-L2358 HydrophobicContact CZ2-CB 3.86Å; W2231-L2358 HydrophobicContact CZ2-CD2 3.94Å; W2231-L2358 HydrophobicContact CZ2-CG 4.4Å; W2231-L2358 HydrophobicContact CZ3-CD2 4.04Å; V2243-L2358 HydrophobicContact CG1-CD1 3.82Å; V2243-L2358 HydrophobicContact CG1-CD2 4.18Å; L2354-L2358 HydrophobicContact CD2-CD1 4.38Å; L2354-L2358 HydrophobicContact CG-CD1 4.23Å; L2354-L2358 HydrophobicContact CG-CD2 4.31Å; L2354-L2358 HydrophobicContact CG-CG 4.08Å; L2354-L2358 PolarHBondContact O-N 3.07Å; L2358-D2360 PolarHBondContact O-N 3.17Å; L2358-L2361 PolarHBondContact O-N 3.49Å; L2358-S2362 PolarHBondContact O-N 2.91Å; L2358-S2362 PolarHBondContact O-OG 2.93Å
2359T93.5Very high92.5Very high67 Ų6733.5 Ų33.541%0.41119%0.192SC..Hα-helixtrans-63.6-40176.4-560000112.1G2355 M2356 Y2357 F2363G2355-T2359 WeakPolarHBondContact O-CB 3.43Å; G2355-T2359 PolarHBondContact O-N 3.46Å; G2355-T2359 VanDerWaalsContact O-N 3.08Å; G2355-T2359 PolarHBondContact O-OG1 3.36Å; M2356-T2359 PolarHBondContact O-N 2.96Å; Y2357-T2359 VanDerWaalsContact C-N 3.26Å; Y2357-T2359 PolarHBondContact O-N 3.32Å; T2359-F2363 WeakPolarHBondContact O-CB 3.27Å; T2359-F2363 PolarHBondContact O-N 3.36Å; T2359-F2363 VanDerWaalsContact O-N 3.1Å
2360D94Very high92.3Very high23 Ų2333.8 Ų33.812%0.12319%0.192CC..Hα-helixtrans-69.1-41.1176.3-65.9-34.8000111.6R2340 M2356 Y2357 L2358 F2363 I2364R2340-D2360 IonicContact CZ-OD2 2.94Å; R2340-D2360 IonicContact NH1-OD2 3.16Å; R2340-D2360 PolarHBondContact NH1-OD2 3.09Å; R2340-D2360 VanDerWaalsContact NH2-CG 3.32Å; R2340-D2360 IonicContact NH2-OD1 3.13Å; R2340-D2360 PolarHBondContact NH2-OD1 3.09Å; R2340-D2360 VanDerWaalsContact NH2-OD1 3.16Å; R2340-D2360 IonicContact NH2-OD2 2.83Å; R2340-D2360 PolarHBondContact NH2-OD2 3.45Å; M2356-D2360 PolarHBondContact O-N 3.29Å; Y2357-D2360 PolarHBondContact O-N 3.49Å; L2358-D2360 PolarHBondContact O-N 3.17Å; D2360-F2363 PolarHBondContact O-N 3.29Å; D2360-I2364 WeakPolarHBondContact O-CD1 3.42Å; D2360-I2364 WeakPolarHBondContact O-CG1 3.43Å; D2360-I2364 PolarHBondContact O-N 2.9Å
2361L94.8Very high92.1Very high1 Ų137 Ų371%0.00521%0.209CC..Hα-helixtrans-61.4-48.5175.7-72.6169000111.6L2226 W2231 Y2357 L2358 F2363 I2364 E2365 I2385 V2388 I2389L2226-L2361 HydrophobicContact CB-CD1 4.13Å; L2226-L2361 HydrophobicContact CD2-CD1 4.41Å; W2231-L2361 HydrophobicContact CH2-CB 3.76Å; W2231-L2361 HydrophobicContact CH2-CD1 4.06Å; W2231-L2361 HydrophobicContact CZ2-CB 4.5Å; W2231-L2361 HydrophobicContact CZ3-CD1 4.32Å; Y2357-L2361 WeakPolarHBondContact O-CG 3.36Å; Y2357-L2361 PolarHBondContact O-N 3.02Å; L2358-L2361 PolarHBondContact O-N 3.49Å; L2361-F2363 VanDerWaalsContact C-N 3.34Å; L2361-F2363 PolarHBondContact O-N 3.21Å; L2361-I2364 PolarHBondContact O-N 3.09Å; L2361-E2365 WeakPolarHBondContact O-CB 3.49Å; L2361-E2365 PolarHBondContact O-N 3.5Å; L2361-I2385 HydrophobicContact CD2-CG2 4.06Å; L2361-V2388 HydrophobicContact CD1-CG1 4.39Å; L2361-V2388 HydrophobicContact CD2-CB 3.93Å; L2361-V2388 HydrophobicContact CD2-CG1 4.02Å; L2361-V2388 HydrophobicContact CG-CB 4.34Å; L2361-V2388 HydrophobicContact CG-CG1 3.87Å; L2361-I2389 HydrophobicContact CD2-CG1 4.22Å
2362S92.1Very high91.7Very high18 Ų1838.7 Ų38.713%0.12622%0.219CC..Hα-helixtrans-57.2-44.6174-72.40000112.2Q2229 M2232 L2358 I2364 E2365 E2366Q2229-S2362 PolarHBondContact OE1-OG 3.29Å; M2232-S2362 PolarHBondContact SD-OG 2.87Å; M2232-S2362 VanDerWaalsContact SD-OG 3.39Å; L2358-S2362 PolarHBondContact O-N 2.91Å; L2358-S2362 PolarHBondContact O-OG 2.93Å; S2362-I2364 PolarHBondContact O-N 3.21Å; S2362-E2365 PolarHBondContact O-N 3Å; S2362-E2365 VanDerWaalsContact O-N 3.14Å; S2362-E2366 WeakPolarHBondContact O-CB 3.33Å; S2362-E2366 WeakPolarHBondContact O-CG 3.5Å; S2362-E2366 PolarHBondContact O-N 2.96Å
2363F92.2Very high91.2Very high123 Ų12347.7 Ų47.754%0.53926%0.261SS..Hα-helixtrans-64-38.4177.9-179.2-98.7000113T2359 D2360 L2361 E2365 G2367T2359-F2363 WeakPolarHBondContact O-CB 3.27Å; T2359-F2363 PolarHBondContact O-N 3.36Å; T2359-F2363 VanDerWaalsContact O-N 3.1Å; D2360-F2363 PolarHBondContact O-N 3.29Å; L2361-F2363 VanDerWaalsContact C-N 3.34Å; L2361-F2363 PolarHBondContact O-N 3.21Å; F2363-E2365 VanDerWaalsContact C-N 3.33Å; F2363-G2367 WeakPolarHBondContact O-CA 3.45Å; F2363-G2367 PolarHBondContact O-N 2.84Å; F2363-G2367 VanDerWaalsContact O-N 3.08Å
2364I92.2Very high90.5Very high23 Ų2352.1 Ų52.112%0.11829%0.286CS..Hα-helixtrans-68.2-36.4173.9-66.2161.5000110.6D2360 L2361 S2362 K2381 M2384 I2385 V2388D2360-I2364 WeakPolarHBondContact O-CD1 3.42Å; D2360-I2364 WeakPolarHBondContact O-CG1 3.43Å; D2360-I2364 PolarHBondContact O-N 2.9Å; L2361-I2364 PolarHBondContact O-N 3.09Å; S2362-I2364 PolarHBondContact O-N 3.21Å; I2364-K2381 HydrophobicContact CG2-CG 4.15Å; I2364-K2381 VanDerWaalsContact O-CE 3.31Å; I2364-K2381 WeakPolarHBondContact O-CE 3.35Å; I2364-M2384 HydrophobicContact CD1-CB 4.17Å; I2364-M2384 HydrophobicContact CG1-CB 4.49Å; I2364-M2384 HydrophobicContact CG1-CE 4.18Å; I2364-M2384 HydrophobicContact CG2-CB 3.89Å; I2364-I2385 HydrophobicContact CG2-CD1 4.45Å; I2364-I2385 HydrophobicContact CG2-CG1 3.7Å; I2364-V2388 HydrophobicContact CD1-CG2 3.85Å
2365E89.5Confident90.1Very high19 Ų1958 Ų589%0.08932%0.317CS..Hα-helixtrans-76.5-43.2-177-82.4-164-157.200114.7N2228 Q2229 L2361 S2362 F2363 K2381 I2385N2228-E2365 WeakPolarHBondContact CA-OE1 3.42Å; N2228-E2365 WeakPolarHBondContact CA-OE2 3.37Å; N2228-E2365 PolarHBondContact N-OE1 2.81Å; Q2229-E2365 HydrophobicContact CG-CB 4.34Å; Q2229-E2365 VanDerWaalsContact CG-OE2 3.32Å; Q2229-E2365 WeakPolarHBondContact CG-OE2 3.2Å; Q2229-E2365 PolarHBondContact N-OE1 3.42Å; Q2229-E2365 VanDerWaalsContact N-OE1 3.13Å; Q2229-E2365 PolarHBondContact N-OE2 2.91Å; Q2229-E2365 PolarHBondContact NE2-OE2 3.3Å; L2361-E2365 WeakPolarHBondContact O-CB 3.49Å; L2361-E2365 PolarHBondContact O-N 3.5Å; S2362-E2365 PolarHBondContact O-N 3Å; S2362-E2365 VanDerWaalsContact O-N 3.14Å; F2363-E2365 VanDerWaalsContact C-N 3.33Å; E2365-K2381 PolarHBondContact O-NZ 3.12Å; E2365-I2385 HydrophobicContact CG-CD1 3.9Å
2366E88.4Confident90Very high147 Ų14758.1 Ų58.169%0.68732%0.317SS*.Hα-helixtrans-72.5-35.8174.5-66.1-178.8160.600111.8S2362 A2368S2362-E2366 WeakPolarHBondContact O-CB 3.33Å; S2362-E2366 WeakPolarHBondContact O-CG 3.5Å; S2362-E2366 PolarHBondContact O-N 2.96Å; E2366-A2368 VanDerWaalsContact C-N 3.3Å; E2366-A2368 PolarHBondContact O-N 2.99Å
2367G85.3Confident90Very high64 Ų6458.1 Ų58.166%0.6632%0.318SS*.SBendtrans-74.2-9.2-171.600000116.2F2363F2363-G2367 WeakPolarHBondContact O-CA 3.45Å; F2363-G2367 PolarHBondContact O-N 2.84Å; F2363-G2367 VanDerWaalsContact O-N 3.08Å
2368A84.8Confident89.9Confident36 Ų3658.8 Ų58.830%0.29832%0.321SS..SBendtrans-153.7142.4179.300000112.1E2366 K2381E2366-A2368 VanDerWaalsContact C-N 3.3Å; E2366-A2368 PolarHBondContact O-N 2.99Å; A2368-K2381 HydrophobicContact CB-CD 4.27Å; A2368-K2381 WeakPolarHBondContact O-CD 3.38Å; A2368-K2381 WeakPolarHBondContact O-CE 3.26Å; A2368-K2381 PolarHBondContact O-NZ 3.09Å
2369L86.3Confident89.8Confident117 Ų11758.8 Ų58.861%0.61332%0.321SS*.  trans-69146.9175.6-59176.5000112I2371 N2378L2369-I2371 VanDerWaalsContact C-N 3.33Å; L2369-I2371 WeakPolarHBondContact CB-O 3.31Å; L2369-N2378 VanDerWaalsContact O-CB 3.27Å; L2369-N2378 WeakPolarHBondContact O-CB 3.36Å; L2369-N2378 PolarHBondContact O-ND2 3.32Å
2370N88.7Confident89.8Confident44 Ų4457.3 Ų57.324%0.23531%0.313CS..SBendtrans-65.8-37172.7-74.1-3.7000111.9V1003 N2378 K2381 M2382V1003-N2370 HydrophobicContact CG1-CB 4.33Å; V1003-N2370 WeakPolarHBondContact CG1-ND2 3.24Å; N2370-N2378 WeakPolarHBondContact O-CB 3.33Å; N2370-N2378 PolarHBondContact O-N 3.18Å; N2370-K2381 WeakPolarHBondContact OD1-CD 3.5Å; N2370-K2381 VanDerWaalsContact OD1-CE 3.3Å; N2370-K2381 WeakPolarHBondContact OD1-CE 3.36Å; N2370-K2381 PolarHBondContact OD1-NZ 3.25Å; N2370-M2382 HydrophobicContact CB-CE 4.1Å
2371I89.7Confident89.8Confident68 Ų6856.7 Ų56.735%0.34931%0.309SS..BIsolated β-bridgetrans-128138179.4-54.9178.6000107L2369L2369-I2371 VanDerWaalsContact C-N 3.33Å; L2369-I2371 WeakPolarHBondContact CB-O 3.31Å
2372T88Confident89.8Confident36 Ų3656.6 Ų56.622%0.22131%0.309CS..  trans-81.2165.9177.855.40000111.8Y973 N2374 N2375 L2376Y973-T2372 HydrophobicContact CD1-CG2 3.44Å; Y973-T2372 VanDerWaalsContact CD1-CG2 3.44Å; Y973-T2372 HydrophobicContact CE1-CG2 3.48Å; Y973-T2372 VanDerWaalsContact CE1-CG2 3.48Å; Y973-T2372 HydrophobicContact CG-CG2 4.33Å; T2372-N2374 PolarHBondContact O-N 2.85Å; T2372-N2374 VanDerWaalsContact O-N 3.12Å; T2372-N2375 WeakPolarHBondContact O-CA 3.46Å; T2372-N2375 PolarHBondContact O-N 2.69Å; T2372-L2376 PolarHBondContact N-O 2.97Å; T2372-L2376 WeakPolarHBondContact OG1-CB 3.25Å; T2372-L2376 PolarHBondContact OG1-N 2.93Å; T2372-L2376 PolarHBondContact OG1-O 2.81Å
2373E84.1Confident89.9Confident191 Ų19158.1 Ų58.189%0.89331%0.312SS*.THydrogen-bonded Turntrans-52.9-31.6175.6-64.8168.7-163.500113.2N2375E2373-N2375 PolarHBondContact O-N 3.11Å
2374N82.7Confident90Very high112 Ų11257.4 Ų57.460%0.59931%0.311SS*.THydrogen-bonded Turntrans-78.514.9173.4-64.372.7000114.2T2372 L2376T2372-N2374 PolarHBondContact O-N 2.85Å; T2372-N2374 VanDerWaalsContact O-N 3.12Å; N2374-L2376 HydrophobicContact CB-CD1 4.38Å; N2374-L2376 HydrophobicContact CB-CG 4.09Å; N2374-L2376 PolarHBondContact O-N 3.49Å
2375N86.8Confident90.1Very high123 Ų12356.3 Ų56.366%0.65831%0.306SS*.SBendtrans57.223.7-174.7-155.424.4000115.1T2372 E2373T2372-N2375 WeakPolarHBondContact O-CA 3.46Å; T2372-N2375 PolarHBondContact O-N 2.69Å; E2373-N2375 PolarHBondContact O-N 3.11Å
2376L91.4Very high90.3Very high5 Ų555.4 Ų55.43%0.02630%0.302CS..  trans-94.5129.6176.2-48.9178000110.5K958 A974 T975 T2372 N2374K958-L2376 HydrophobicContact CD-CD1 4.18Å; A974-L2376 CarbonylContact O-C 3.31Å; T975-L2376 HydrophobicContact CG2-CD2 3.52Å; T2372-L2376 PolarHBondContact N-O 2.97Å; T2372-L2376 WeakPolarHBondContact OG1-CB 3.25Å; T2372-L2376 PolarHBondContact OG1-N 2.93Å; T2372-L2376 PolarHBondContact OG1-O 2.81Å; N2374-L2376 HydrophobicContact CB-CD1 4.38Å; N2374-L2376 HydrophobicContact CB-CG 4.09Å; N2374-L2376 PolarHBondContact O-N 3.49Å
2377V94.5Very high90.6Very high2 Ų253.5 Ų53.51%0.01229%0.292CS..BIsolated β-bridgetrans-61.7131.3174.4-178.40000110.5Y973 A974 V976 L979 F1004 F2379 M2382Y973-V2377 VanDerWaalsContact CA-O 3.26Å; Y973-V2377 WeakPolarHBondContact CA-O 3.42Å; A974-V2377 PolarHBondContact N-O 2.77Å; A974-V2377 VanDerWaalsContact N-O 3.11Å; A974-V2377 WeakPolarHBondContact O-CB 3.21Å; A974-V2377 PolarHBondContact O-N 2.77Å; V976-V2377 HydrophobicContact CG2-CG2 3.84Å; L979-V2377 HydrophobicContact CD1-CB 4Å; L979-V2377 HydrophobicContact CD1-CG1 4.11Å; L979-V2377 HydrophobicContact CD1-CG2 4.33Å; F1004-V2377 HydrophobicContact CB-CG1 3.92Å; F1004-V2377 HydrophobicContact CB-CG2 3.91Å; F1004-V2377 HydrophobicContact CD1-CG1 3.75Å; F1004-V2377 HydrophobicContact CD2-CG1 4.15Å; F1004-V2377 HydrophobicContact CD2-CG2 4.13Å; F1004-V2377 HydrophobicContact CE1-CG1 4.3Å; F1004-V2377 HydrophobicContact CG-CG1 3.67Å; F1004-V2377 HydrophobicContact CG-CG2 4.11Å; V2377-F2379 PolarHBondContact O-N 2.86Å; V2377-M2382 HydrophobicContact CG1-CE 4.38Å
2378N93.6Very high91.1Very high14 Ų1451.2 Ų51.28%0.07527%0.265CS..  trans-80.376.5178.4-173.5-7.6000111.5Y973 L2369 N2370 C2380 K2381 M2382Y973-N2378 HydrophobicContact CD1-CB 4.2Å; Y973-N2378 HydrophobicContact CE1-CB 4.12Å; L2369-N2378 VanDerWaalsContact O-CB 3.27Å; L2369-N2378 WeakPolarHBondContact O-CB 3.36Å; L2369-N2378 PolarHBondContact O-ND2 3.32Å; N2370-N2378 WeakPolarHBondContact O-CB 3.33Å; N2370-N2378 PolarHBondContact O-N 3.18Å; N2378-C2380 PolarHBondContact O-N 3.35Å; N2378-K2381 HydrophobicContact CB-CB 4.12Å; N2378-K2381 WeakPolarHBondContact O-CB 3.45Å; N2378-K2381 PolarHBondContact O-N 3.04Å; N2378-K2381 PolarHBondContact OD1-N 2.95Å; N2378-M2382 PolarHBondContact O-N 2.7Å
2379F94.3Very high91.6Very high2 Ų249.5 Ų49.51%0.00925%0.251CS..Hα-helixtrans-67.4-15.9-178.2-154.9-99.4000113.5I971 R972 L979 F993 T996 F997 F1004 V2377 M2382 R2383I971-F2379 HydrophobicContact CB-CD1 4.35Å; I971-F2379 HydrophobicContact CG2-CB 4.02Å; R972-F2379 PolarHBondContact O-N 3.24Å; L979-F2379 HydrophobicContact CD1-CD2 4Å; L979-F2379 HydrophobicContact CD2-CB 4.39Å; L979-F2379 HydrophobicContact CD2-CD2 3.74Å; L979-F2379 HydrophobicContact CD2-CE2 4.18Å; L979-F2379 HydrophobicContact CD2-CG 4.01Å; F993-F2379 HydrophobicContact CD2-CD1 4.25Å; F993-F2379 AromaticContact CD2-CE1 3.38Å; F993-F2379 HydrophobicContact CD2-CE1 3.38Å; F993-F2379 AromaticContact CD2-CZ 3.54Å; F993-F2379 HydrophobicContact CD2-CZ 3.54Å; F993-F2379 HydrophobicContact CE2-CD1 4.18Å; F993-F2379 AromaticContact CE2-CE1 3.56Å; F993-F2379 HydrophobicContact CE2-CE1 3.56Å; F993-F2379 HydrophobicContact CE2-CE2 4.02Å; F993-F2379 AromaticContact CE2-CZ 3.45Å; F993-F2379 HydrophobicContact CE2-CZ 3.45Å; F993-F2379 VanDerWaalsContact CE2-CZ 3.45Å; F993-F2379 HydrophobicContact CG-CE1 4.46Å; F993-F2379 HydrophobicContact CG-CZ 4.43Å; F993-F2379 HydrophobicContact CZ-CZ 4.31Å; T996-F2379 HydrophobicContact CG2-CE1 3.79Å; T996-F2379 HydrophobicContact CG2-CE2 4.26Å; T996-F2379 HydrophobicContact CG2-CZ 3.57Å; F997-F2379 HydrophobicContact CB-CE2 4.38Å; F997-F2379 HydrophobicContact CB-CZ 4.25Å; F997-F2379 HydrophobicContact CD2-CE2 4.23Å; F1004-F2379 HydrophobicContact CZ-CE2 4.43Å; V2377-F2379 PolarHBondContact O-N 2.86Å; F2379-M2382 HydrophobicContact CD2-CB 4.28Å; F2379-M2382 HydrophobicContact CD2-CG 4.42Å; F2379-R2383 PolarHBondContact O-N 3.49Å; F2379-R2383 VanDerWaalsContact O-N 3.07Å
2380C91.9Very high91.8Very high35 Ų3548.5 Ų48.524%0.23624%0.24CC..Hα-helixtrans-68.5-43.7165.9-93.90000112.7R972 N2378 M2382 R2383 M2384R972-C2380 PolarHBondContact O-N 3.3Å; R972-C2380 VanDerWaalsContact O-N 3.12Å; N2378-C2380 PolarHBondContact O-N 3.35Å; C2380-M2382 VanDerWaalsContact C-N 3.31Å; C2380-M2382 PolarHBondContact O-N 2.99Å; C2380-R2383 PolarHBondContact O-N 3.33Å; C2380-M2384 WeakPolarHBondContact O-CG 3.41Å; C2380-M2384 PolarHBondContact O-N 3.24Å; C2380-M2384 VanDerWaalsContact O-N 3.14Å
2381K94.3Very high92Very high10 Ų1047.7 Ų47.74%0.04323%0.234CC..Hα-helixtrans-57.5-46.1171.6-178.4-175.4-176.9175.50110.8I2364 E2365 A2368 N2370 N2378 R2383 M2384 I2385I2364-K2381 HydrophobicContact CG2-CG 4.15Å; I2364-K2381 VanDerWaalsContact O-CE 3.31Å; I2364-K2381 WeakPolarHBondContact O-CE 3.35Å; E2365-K2381 PolarHBondContact O-NZ 3.12Å; A2368-K2381 HydrophobicContact CB-CD 4.27Å; A2368-K2381 WeakPolarHBondContact O-CD 3.38Å; A2368-K2381 WeakPolarHBondContact O-CE 3.26Å; A2368-K2381 PolarHBondContact O-NZ 3.09Å; N2370-K2381 WeakPolarHBondContact OD1-CD 3.5Å; N2370-K2381 VanDerWaalsContact OD1-CE 3.3Å; N2370-K2381 WeakPolarHBondContact OD1-CE 3.36Å; N2370-K2381 PolarHBondContact OD1-NZ 3.25Å; N2378-K2381 HydrophobicContact CB-CB 4.12Å; N2378-K2381 WeakPolarHBondContact O-CB 3.45Å; N2378-K2381 PolarHBondContact O-N 3.04Å; N2378-K2381 PolarHBondContact OD1-N 2.95Å; K2381-R2383 VanDerWaalsContact C-N 3.31Å; K2381-R2383 PolarHBondContact O-N 3.37Å; K2381-M2384 WeakPolarHBondContact O-CB 3.31Å; K2381-M2384 PolarHBondContact O-N 3.29Å; K2381-I2385 HydrophobicContact CG-CD1 4.07Å; K2381-I2385 PolarHBondContact O-N 3.48Å
2382M95Very high92.2Very high0 Ų044.5 Ų44.50%022%0.218CC..Hα-helixtrans-59.4-40.4178.3-55.3-45.2154.600112.2T996 T1000 V1003 F1004 N2370 V2377 N2378 F2379 C2380 M2384 I2385 A2386T996-M2382 HydrophobicContact CG2-CB 4.3Å; T1000-M2382 HydrophobicContact CG2-CB 4.26Å; V1003-M2382 HydrophobicContact CB-CE 4.27Å; V1003-M2382 HydrophobicContact CB-SD 4.07Å; V1003-M2382 HydrophobicContact CG1-CE 3.51Å; V1003-M2382 HydrophobicContact CG1-SD 3.8Å; V1003-M2382 HydrophobicContact CG2-SD 4.38Å; F1004-M2382 HydrophobicContact CD1-CE 4.4Å; F1004-M2382 HydrophobicContact CD1-CG 4.32Å; F1004-M2382 HydrophobicContact CD1-SD 4.45Å; F1004-M2382 HydrophobicContact CE1-CG 4.13Å; N2370-M2382 HydrophobicContact CB-CE 4.1Å; V2377-M2382 HydrophobicContact CG1-CE 4.38Å; N2378-M2382 PolarHBondContact O-N 2.7Å; F2379-M2382 HydrophobicContact CD2-CB 4.28Å; F2379-M2382 HydrophobicContact CD2-CG 4.42Å; C2380-M2382 VanDerWaalsContact C-N 3.31Å; C2380-M2382 PolarHBondContact O-N 2.99Å; M2382-M2384 VanDerWaalsContact C-N 3.32Å; M2382-M2384 PolarHBondContact O-N 3.37Å; M2382-I2385 PolarHBondContact O-N 3.38Å; M2382-A2386 WeakPolarHBondContact O-CB 3.28Å; M2382-A2386 PolarHBondContact O-N 3.47Å
2383R94Very high92.3Very high50 Ų5045 Ų4519%0.18922%0.218CC..Hα-helixtrans-63.2-34.5174.1-168.4-179-54.611432.4113.3I971 T996 F2379 C2380 K2381 H2387I971-R2383 PolarHBondContact O-NH2 3.29Å; T996-R2383 HydrophobicContact CG2-CB 4.24Å; F2379-R2383 PolarHBondContact O-N 3.49Å; F2379-R2383 VanDerWaalsContact O-N 3.07Å; C2380-R2383 PolarHBondContact O-N 3.33Å; K2381-R2383 VanDerWaalsContact C-N 3.31Å; K2381-R2383 PolarHBondContact O-N 3.37Å; R2383-H2387 WeakPolarHBondContact O-CB 3.46Å; R2383-H2387 PolarHBondContact O-N 3.33Å
2384M93.8Very high92.5Very high108 Ų10840.8 Ų40.853%0.53220%0.198SC..Hα-helixtrans-71.2-46.6177-66.4176.671.500111.4I2364 C2380 K2381 M2382 H2387 V2388I2364-M2384 HydrophobicContact CD1-CB 4.17Å; I2364-M2384 HydrophobicContact CG1-CB 4.49Å; I2364-M2384 HydrophobicContact CG1-CE 4.18Å; I2364-M2384 HydrophobicContact CG2-CB 3.89Å; C2380-M2384 WeakPolarHBondContact O-CG 3.41Å; C2380-M2384 PolarHBondContact O-N 3.24Å; C2380-M2384 VanDerWaalsContact O-N 3.14Å; K2381-M2384 WeakPolarHBondContact O-CB 3.31Å; K2381-M2384 PolarHBondContact O-N 3.29Å; M2382-M2384 VanDerWaalsContact C-N 3.32Å; M2382-M2384 PolarHBondContact O-N 3.37Å; M2384-H2387 WeakPolarHBondContact O-CB 3.43Å; M2384-H2387 PolarHBondContact O-N 3.09Å; M2384-H2387 VanDerWaalsContact O-N 3.1Å; M2384-V2388 PolarHBondContact O-N 3.28Å
2385I95.3Very high93Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-58.2-50.9173.9-65.9173.4000110.2L2227 L2361 I2364 E2365 K2381 M2382 H2387 V2388 I2389L2227-I2385 HydrophobicContact CD2-CG2 3.78Å; L2361-I2385 HydrophobicContact CD2-CG2 4.06Å; I2364-I2385 HydrophobicContact CG2-CD1 4.45Å; I2364-I2385 HydrophobicContact CG2-CG1 3.7Å; E2365-I2385 HydrophobicContact CG-CD1 3.9Å; K2381-I2385 HydrophobicContact CG-CD1 4.07Å; K2381-I2385 PolarHBondContact O-N 3.48Å; M2382-I2385 PolarHBondContact O-N 3.38Å; I2385-H2387 PolarHBondContact O-N 2.96Å; I2385-H2387 VanDerWaalsContact O-N 3.14Å; I2385-V2388 PolarHBondContact O-N 2.88Å; I2385-V2388 VanDerWaalsContact O-N 3.15Å; I2385-I2389 HydrophobicContact CG2-CD1 3.73Å; I2385-I2389 HydrophobicContact CG2-CG1 4.42Å; I2385-I2389 PolarHBondContact O-N 3.46Å
2386A94.5Very high93Very high0 Ų031.1 Ų31.10%015%0.145CC..Hα-helixtrans-63.6-17.1177.200000113.7T996 L999 T1000 M2382 R2390T996-A2386 HydrophobicContact CG2-CB 3.96Å; L999-A2386 HydrophobicContact CD2-CB 4.02Å; T1000-A2386 HydrophobicContact CG2-CB 4.08Å; M2382-A2386 WeakPolarHBondContact O-CB 3.28Å; M2382-A2386 PolarHBondContact O-N 3.47Å; A2386-R2390 WeakPolarHBondContact O-CB 3.4Å; A2386-R2390 VanDerWaalsContact O-CG 3.22Å; A2386-R2390 WeakPolarHBondContact O-CG 3.47Å; A2386-R2390 PolarHBondContact O-N 3.25Å; A2386-R2390 PolarHBondContact O-NE 2.77Å
2387H94Very high92.7Very high107 Ų10737.9 Ų37.950%0.49518%0.177SC..Hα-helixtrans-77.8-46.9171.7-174-7.6000111.5R2383 M2384 I2385 R2390 E2391R2383-H2387 WeakPolarHBondContact O-CB 3.46Å; R2383-H2387 PolarHBondContact O-N 3.33Å; M2384-H2387 WeakPolarHBondContact O-CB 3.43Å; M2384-H2387 PolarHBondContact O-N 3.09Å; M2384-H2387 VanDerWaalsContact O-N 3.1Å; I2385-H2387 PolarHBondContact O-N 2.96Å; I2385-H2387 VanDerWaalsContact O-N 3.14Å; H2387-R2390 PolarHBondContact O-N 3.13Å; H2387-E2391 PolarHBondContact O-N 2.93Å
2388V95.1Very high92.4Very high15 Ų1540.5 Ų40.59%0.09119%0.193CC..Hα-helixtrans-65.4-44.2179.6179.50000110.8Y2357 L2361 I2364 M2384 I2385 R2390 E2391 V2392Y2357-V2388 HydrophobicContact CD1-CG1 3.81Å; Y2357-V2388 HydrophobicContact CG-CG1 4.29Å; L2361-V2388 HydrophobicContact CD1-CG1 4.39Å; L2361-V2388 HydrophobicContact CD2-CB 3.93Å; L2361-V2388 HydrophobicContact CD2-CG1 4.02Å; L2361-V2388 HydrophobicContact CG-CB 4.34Å; L2361-V2388 HydrophobicContact CG-CG1 3.87Å; I2364-V2388 HydrophobicContact CD1-CG2 3.85Å; M2384-V2388 PolarHBondContact O-N 3.28Å; I2385-V2388 PolarHBondContact O-N 2.88Å; I2385-V2388 VanDerWaalsContact O-N 3.15Å; V2388-R2390 VanDerWaalsContact C-N 3.34Å; V2388-R2390 PolarHBondContact O-N 3.37Å; V2388-E2391 WeakPolarHBondContact O-CB 3.38Å; V2388-E2391 PolarHBondContact O-N 2.91Å; V2388-V2392 PolarHBondContact O-N 3.24Å
2389I94.8Very high92.1Very high1 Ų143.3 Ų43.31%0.00521%0.212CC..Hα-helixtrans-63.9-38.5178.4-62.5175.5000111.4L999 L2226 L2227 L2361 I2385 V2392 Q2393L999-I2389 HydrophobicContact CD1-CG2 4.04Å; L999-I2389 HydrophobicContact CD2-CB 4.24Å; L999-I2389 HydrophobicContact CD2-CG2 4.1Å; L999-I2389 HydrophobicContact CG-CG2 4.46Å; L2226-I2389 HydrophobicContact CB-CD1 3.91Å; L2226-I2389 HydrophobicContact CB-CG1 4Å; L2226-I2389 HydrophobicContact CD1-CG1 4.34Å; L2226-I2389 HydrophobicContact CD1-CG2 4.36Å; L2227-I2389 HydrophobicContact CD2-CD1 3.65Å; L2227-I2389 HydrophobicContact CG-CD1 4.16Å; L2361-I2389 HydrophobicContact CD2-CG1 4.22Å; I2385-I2389 HydrophobicContact CG2-CD1 3.73Å; I2385-I2389 HydrophobicContact CG2-CG1 4.42Å; I2385-I2389 PolarHBondContact O-N 3.46Å; I2389-V2392 PolarHBondContact O-N 2.66Å; I2389-Q2393 HydrophobicContact CG2-CG 4.33Å; I2389-Q2393 WeakPolarHBondContact O-CB 3.45Å; I2389-Q2393 VanDerWaalsContact O-CG 3.29Å; I2389-Q2393 WeakPolarHBondContact O-CG 2.99Å; I2389-Q2393 PolarHBondContact O-N 3.09Å
2390R92.3Very high92Very high96 Ų9644.6 Ų44.636%0.36222%0.217SC..Hα-helixtrans-68.8-31.4175.1-76.5-178.3-59.21040.8113.6L999 A2386 H2387 V2388 Q2393 Q2394L999-R2390 HydrophobicContact CD2-CG 3.92Å; A2386-R2390 WeakPolarHBondContact O-CB 3.4Å; A2386-R2390 VanDerWaalsContact O-CG 3.22Å; A2386-R2390 WeakPolarHBondContact O-CG 3.47Å; A2386-R2390 PolarHBondContact O-N 3.25Å; A2386-R2390 PolarHBondContact O-NE 2.77Å; H2387-R2390 PolarHBondContact O-N 3.13Å; V2388-R2390 VanDerWaalsContact C-N 3.34Å; V2388-R2390 PolarHBondContact O-N 3.37Å; R2390-Q2393 PolarHBondContact O-N 3.15Å; R2390-Q2394 PolarHBondContact O-N 3.47Å
2391E92.1Very high91.8Very high26 Ų2651.2 Ų51.212%0.12125%0.249CC..Hα-helixtrans-65.1-42.9172.6-167.2-178.9158.800110.3H2344 Y2357 H2387 V2388 Q2394 Y2395H2344-E2391 IonicContact CD2-OE1 2.97Å; H2344-E2391 IonicContact CE1-OE1 4Å; H2344-E2391 IonicContact NE2-OE1 3.94Å; H2344-E2391 PolarHBondContact NE2-OE1 2.99Å; Y2357-E2391 HydrophobicContact CE1-CG 4.18Å; Y2357-E2391 WeakPolarHBondContact CE1-OE1 3.47Å; Y2357-E2391 PolarHBondContact OH-OE1 2.92Å; H2387-E2391 PolarHBondContact O-N 2.93Å; V2388-E2391 WeakPolarHBondContact O-CB 3.38Å; V2388-E2391 PolarHBondContact O-N 2.91Å; E2391-Q2394 WeakPolarHBondContact O-CB 3.44Å; E2391-Q2394 PolarHBondContact O-N 3.47Å; E2391-Y2395 HydrophobicContact CG-CE2 4.11Å; E2391-Y2395 WeakPolarHBondContact O-CD2 3.46Å; E2391-Y2395 WeakPolarHBondContact O-CE2 3.33Å
2392V92.9Very high91.7Very high2 Ų251.9 Ų51.91%0.01225%0.252CS..Hα-helixtrans-60.5-51.1171.9174.30000111.3F2218 L2226 Y2357 V2388 I2389 Q2394 Y2395 H2396F2218-V2392 HydrophobicContact CE2-CG1 4.01Å; F2218-V2392 HydrophobicContact CZ-CG1 4.07Å; L2226-V2392 HydrophobicContact CD1-CG1 4.24Å; Y2357-V2392 HydrophobicContact CD1-CG2 4.36Å; Y2357-V2392 HydrophobicContact CD2-CG2 3.55Å; Y2357-V2392 HydrophobicContact CE2-CG2 4.07Å; Y2357-V2392 HydrophobicContact CG-CG2 3.71Å; V2388-V2392 PolarHBondContact O-N 3.24Å; I2389-V2392 PolarHBondContact O-N 2.66Å; V2392-Q2394 PolarHBondContact O-N 3.1Å; V2392-Y2395 PolarHBondContact O-N 2.93Å; V2392-Y2395 VanDerWaalsContact O-N 3.07Å; V2392-H2396 WeakPolarHBondContact CG1-NE2 3.28Å; V2392-H2396 PolarHBondContact O-CD2 3.38Å
2393Q90.2Very high91.4Very high47 Ų4755.9 Ų55.922%0.2228%0.277CS..Hα-helixtrans-60-26178.8-72.6171.2-18.400114.2S2223 I2389 R2390 Y2395 H2396 Q2397S2223-Q2393 PolarHBondContact OG-NE2 3.25Å; I2389-Q2393 HydrophobicContact CG2-CG 4.33Å; I2389-Q2393 WeakPolarHBondContact O-CB 3.45Å; I2389-Q2393 VanDerWaalsContact O-CG 3.29Å; I2389-Q2393 WeakPolarHBondContact O-CG 2.99Å; I2389-Q2393 PolarHBondContact O-N 3.09Å; R2390-Q2393 PolarHBondContact O-N 3.15Å; Q2393-Y2395 VanDerWaalsContact C-N 3.26Å; Q2393-Y2395 PolarHBondContact O-N 3.11Å; Q2393-H2396 PolarHBondContact O-N 3.42Å; Q2393-Q2397 PolarHBondContact O-NE2 3.36Å; Q2393-Q2397 VanDerWaalsContact O-NE2 3.12Å
2394Q90.1Very high91.3Very high101 Ų10157.2 Ų57.247%0.47229%0.285SS..Hα-helixtrans-60.3-39.6175.1-178.6175.7-29.300110.9R2390 E2391 V2392 H2396R2390-Q2394 PolarHBondContact O-N 3.47Å; E2391-Q2394 WeakPolarHBondContact O-CB 3.44Å; E2391-Q2394 PolarHBondContact O-N 3.47Å; V2392-Q2394 PolarHBondContact O-N 3.1Å; Q2394-H2396 VanDerWaalsContact C-N 3.32Å; Q2394-H2396 PolarHBondContact O-N 3.45Å
2395Y91.5Very high91.1Very high5 Ų556.4 Ų56.42%0.0228%0.276CS..Hα-helixtrans-80.2-9.9-179.8-50.7-60.9000113.6P2348 C2350 P2352 E2391 V2392 Q2393P2348-Y2395 HydrophobicContact CG-CD1 4.12Å; C2350-Y2395 WeakPolarHBondContact SG-CD1 3.43Å; P2352-Y2395 HydrophobicContact CG-CD2 3.95Å; P2352-Y2395 HydrophobicContact CG-CG 4.49Å; E2391-Y2395 HydrophobicContact CG-CE2 4.11Å; E2391-Y2395 WeakPolarHBondContact O-CD2 3.46Å; E2391-Y2395 WeakPolarHBondContact O-CE2 3.33Å; V2392-Y2395 PolarHBondContact O-N 2.93Å; V2392-Y2395 VanDerWaalsContact O-N 3.07Å; Q2393-Y2395 VanDerWaalsContact C-N 3.26Å; Q2393-Y2395 PolarHBondContact O-N 3.11Å
2396H88Confident90.8Very high28 Ų2861.8 Ų61.813%0.1330%0.302CS..Hα-helixtrans-79-21.2173.4-68.7-148.8000112.8F2218 R2219 I2221 V2392 Q2393 Q2394F2218-H2396 AromaticContact CE1-CD2 3.48Å; F2218-H2396 VanDerWaalsContact CE1-CD2 3.48Å; F2218-H2396 WeakPolarHBondContact CE1-CD2 3.46Å; F2218-H2396 AromaticContact CE1-NE2 3.88Å; F2218-H2396 AromaticContact CE2-NE2 3.82Å; F2218-H2396 AromaticContact CZ-CD2 3.59Å; F2218-H2396 AromaticContact CZ-NE2 3.62Å; F2218-H2396 PolarHBondContact O-CE1 3.31Å; F2218-H2396 PolarHBondContact O-NE2 2.72Å; R2219-H2396 PolarHBondContact O-ND1 2.94Å; I2221-H2396 PolarHBondContact O-CE1 3.37Å; V2392-H2396 WeakPolarHBondContact CG1-NE2 3.28Å; V2392-H2396 PolarHBondContact O-CD2 3.38Å; Q2393-H2396 PolarHBondContact O-N 3.42Å; Q2394-H2396 VanDerWaalsContact C-N 3.32Å; Q2394-H2396 PolarHBondContact O-N 3.45Å
2397Q84.3Confident90.5Very high147 Ų14765.6 Ų65.669%0.68732%0.319SS*.SBendtrans-78.7-33.1-165.3-73.8168.152.900114.2Q2393 P2399Q2393-Q2397 PolarHBondContact O-NE2 3.36Å; Q2393-Q2397 VanDerWaalsContact O-NE2 3.12Å; Q2397-P2399 WeakPolarHBondContact O-CD 3.46Å
2398T88.1Confident90.5Very high56 Ų5660.5 Ų60.534%0.34430%0.296SS..SBendtrans-99.5114.8-179.6-52.70000109.9F2215 P2349F2215-T2398 WeakPolarHBondContact CZ-O 3.44Å; P2349-T2398 HydrophobicContact CB-CG2 4.2Å; P2349-T2398 WeakPolarHBondContact CB-O 3.29Å; P2349-T2398 HydrophobicContact CG-CG2 4.4Å
2399P87.9Confident90.3Very high73 Ų7359.8 Ų59.847%0.47429%0.292SS..  trans-80150.9178.732.4-35000112.6F2215 Q2397F2215-P2399 HydrophobicContact CE1-CB 4.14Å; Q2397-P2399 WeakPolarHBondContact O-CD 3.46Å
2400Y91.1Very high90.1Very high30 Ų3060.7 Ų60.712%0.11830%0.296CS..  trans-72.9134.4166.7-76.4-87.9000111.5T2211 F2215 M2287 P2349 C2350 I2351 I2402T2211-Y2400 HydrophobicContact CG2-CD1 3.99Å; T2211-Y2400 HydrophobicContact CG2-CD2 4.19Å; T2211-Y2400 HydrophobicContact CG2-CE1 3.64Å; T2211-Y2400 HydrophobicContact CG2-CE2 3.84Å; T2211-Y2400 HydrophobicContact CG2-CG 4.24Å; F2215-Y2400 HydrophobicContact CB-CD2 3.86Å; F2215-Y2400 HydrophobicContact CB-CE2 4.22Å; F2215-Y2400 HydrophobicContact CD1-CD2 4.19Å; F2215-Y2400 AromaticContact CD2-CD2 3.61Å; F2215-Y2400 HydrophobicContact CD2-CD2 3.61Å; F2215-Y2400 AromaticContact CD2-CE2 3.7Å; F2215-Y2400 HydrophobicContact CD2-CE2 3.7Å; F2215-Y2400 HydrophobicContact CE2-CD2 4.2Å; F2215-Y2400 HydrophobicContact CE2-CE2 4.36Å; F2215-Y2400 AromaticContact CG-CD2 3.61Å; F2215-Y2400 HydrophobicContact CG-CD2 3.61Å; F2215-Y2400 HydrophobicContact CG-CE2 4.08Å; M2287-Y2400 VanDerWaalsContact O-CE1 3.28Å; M2287-Y2400 WeakPolarHBondContact O-CE1 3.27Å; M2287-Y2400 PolarHBondContact O-OH 2.75Å; P2349-Y2400 HydrophobicContact CB-CD1 4.09Å; P2349-Y2400 HydrophobicContact CB-CD2 3.89Å; P2349-Y2400 HydrophobicContact CB-CE1 4.03Å; P2349-Y2400 HydrophobicContact CB-CE2 3.84Å; P2349-Y2400 HydrophobicContact CB-CG 4.03Å; P2349-Y2400 HydrophobicContact CG-CD1 3.86Å; P2349-Y2400 HydrophobicContact CG-CE1 3.93Å; P2349-Y2400 HydrophobicContact CG-CG 4.19Å; P2349-Y2400 PolarHBondContact O-OH 2.94Å; C2350-Y2400 VanDerWaalsContact CA-OH 3.31Å; C2350-Y2400 WeakPolarHBondContact CA-OH 3.35Å; I2351-Y2400 HydrophobicContact CD1-CE2 4.06Å; I2351-Y2400 HydrophobicContact CG1-CE2 3.7Å; Y2400-I2402 HydrophobicContact CD1-CD1 3.91Å; Y2400-I2402 HydrophobicContact CG-CD1 3.97Å; Y2400-I2402 PolarHBondContact O-N 3.08Å
2401L89.5Confident90.1Very high173 Ų17356.1 Ų56.191%0.90628%0.279SS*.  trans-82.838.9176.9-59.9179000113.1
2402I91.1Very high90.2Very high24 Ų2455 Ų5512%0.12327%0.274CS..PPolyproline II helixtrans-87.7129.5-177.2-62.2162.3000109.4E2208 T2211 F2212 M2287 Y2400E2208-I2402 HydrophobicContact CB-CG2 3.98Å; T2211-I2402 HydrophobicContact CG2-CD1 4.03Å; F2212-I2402 HydrophobicContact CB-CB 4.42Å; F2212-I2402 HydrophobicContact CB-CD1 4.47Å; F2212-I2402 HydrophobicContact CB-CG2 4.01Å; F2212-I2402 HydrophobicContact CD2-CB 4.41Å; F2212-I2402 HydrophobicContact CD2-CG2 4.45Å; M2287-I2402 HydrophobicContact CE-CD1 3.51Å; M2287-I2402 HydrophobicContact CE-CG1 4.1Å; Y2400-I2402 HydrophobicContact CD1-CD1 3.91Å; Y2400-I2402 HydrophobicContact CG-CD1 3.97Å; Y2400-I2402 PolarHBondContact O-N 3.08Å
2403T88.8Confident90.2Very high85 Ų8556.3 Ų56.352%0.52128%0.281SS..PPolyproline II helixtrans-79.4125.4172.6-59.80000109.3Q2209 R2405Q2209-T2403 PolarHBondContact NE2-O 3.02Å; T2403-R2405 PolarHBondContact O-N 3.38Å
2404H91.5Very high90.2Very high78 Ų7854.5 Ų54.536%0.36127%0.272SS..PPolyproline II helixtrans-60128.5175.9179.7-128.9000111.6F2212 T2409F2212-H2404 AromaticContact CD1-CD2 3.97Å; F2212-H2404 HydrophobicContact CE1-CB 4.05Å; F2212-H2404 AromaticContact CE1-CD2 3.54Å; F2212-H2404 AromaticContact CE1-CG 3.93Å; F2212-H2404 HydrophobicContact CE2-CB 4.26Å; F2212-H2404 HydrophobicContact CZ-CB 3.82Å; H2404-T2409 WeakPolarHBondContact NE2-CB 3.39Å; H2404-T2409 WeakPolarHBondContact NE2-CG2 3.31Å; H2404-T2409 PolarHBondContact NE2-OG1 3.12Å
2405R90.3Very high90Very high91 Ų9153.2 Ų53.234%0.34327%0.273SS..  trans-12095.1176.1-69.8-16663.8174.4-0.8110.2D2205 Q2209 T2403 E2407 V2408 T2409D2205-R2405 VanDerWaalsContact CG-NH1 3.28Å; D2205-R2405 IonicContact OD1-CZ 2.63Å; D2205-R2405 IonicContact OD1-NE 3.7Å; D2205-R2405 IonicContact OD1-NH1 3.74Å; D2205-R2405 PolarHBondContact OD1-NH1 3.12Å; D2205-R2405 IonicContact OD2-NH1 3.72Å; D2205-R2405 PolarHBondContact OD2-NH1 3.07Å; Q2209-R2405 HydrophobicContact CG-CB 4.08Å; T2403-R2405 PolarHBondContact O-N 3.38Å; R2405-E2407 VanDerWaalsContact C-N 3.26Å; R2405-E2407 IonicContact CZ-OE2 2.62Å; R2405-E2407 IonicContact NH2-OE2 3.17Å; R2405-E2407 PolarHBondContact NH2-OE2 2.96Å; R2405-E2407 PolarHBondContact O-N 3.42Å; R2405-E2407 VanDerWaalsContact O-N 3.15Å; R2405-V2408 HydrophobicContact CB-CB 4.49Å; R2405-V2408 HydrophobicContact CB-CG2 3.97Å; R2405-V2408 PolarHBondContact O-N 3.41Å; R2405-T2409 PolarHBondContact O-N 2.93Å
2406Q88.2Confident89.8Confident113 Ų11356.9 Ų56.953%0.52830%0.299SS..Hα-helixtrans-53.2-39.3-174.3-169.3168.112.100113.9V2408 T2409 D2410Q2406-V2408 PolarHBondContact O-N 2.9Å; Q2406-T2409 WeakPolarHBondContact CA-OG1 3.21Å; Q2406-T2409 PolarHBondContact O-N 3.19Å; Q2406-T2409 PolarHBondContact O-OG1 2.89Å; Q2406-T2409 VanDerWaalsContact O-OG1 3.07Å; Q2406-D2410 WeakPolarHBondContact CG-OD1 3.34Å; Q2406-D2410 VanDerWaalsContact O-CB 3.3Å; Q2406-D2410 WeakPolarHBondContact O-CB 3.35Å; Q2406-D2410 PolarHBondContact O-N 3.41Å
2407E89.4Confident89.8Confident79 Ų7958 Ų5837%0.36930%0.302SS..Hα-helixtrans-54.4-29.7177.9-41.6176.3119.300114.1K2196 R2405K2196-E2407 HydrophobicContact CD-CB 4.18Å; K2196-E2407 WeakPolarHBondContact CE-OE1 3.34Å; K2196-E2407 IonicContact NZ-OE1 3.65Å; K2196-E2407 PolarHBondContact NZ-OE1 3.41Å; K2196-E2407 IonicContact NZ-OE2 2.74Å; K2196-E2407 PolarHBondContact NZ-OE2 3.19Å; R2405-E2407 VanDerWaalsContact C-N 3.26Å; R2405-E2407 IonicContact CZ-OE2 2.62Å; R2405-E2407 IonicContact NH2-OE2 3.17Å; R2405-E2407 PolarHBondContact NH2-OE2 2.96Å; R2405-E2407 PolarHBondContact O-N 3.42Å; R2405-E2407 VanDerWaalsContact O-N 3.15Å
2408V92.6Very high90.1Very high0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-95.5-37-175.4-171.20000110.3L2201 D2205 Q2209 R2405 Q2406 D2410 Y2411 L2412L2201-V2408 HydrophobicContact CD1-CG1 4.39Å; L2201-V2408 HydrophobicContact CD2-CG2 4.22Å; D2205-V2408 HydrophobicContact CB-CG1 4.49Å; D2205-V2408 HydrophobicContact CB-CG2 4.24Å; Q2209-V2408 HydrophobicContact CB-CB 4.08Å; Q2209-V2408 HydrophobicContact CB-CG1 3.79Å; Q2209-V2408 HydrophobicContact CG-CB 3.83Å; Q2209-V2408 HydrophobicContact CG-CG1 3.87Å; Q2209-V2408 HydrophobicContact CG-CG2 4.3Å; R2405-V2408 HydrophobicContact CB-CB 4.49Å; R2405-V2408 HydrophobicContact CB-CG2 3.97Å; R2405-V2408 PolarHBondContact O-N 3.41Å; Q2406-V2408 PolarHBondContact O-N 2.9Å; V2408-D2410 VanDerWaalsContact C-N 3.31Å; V2408-Y2411 PolarHBondContact O-N 2.96Å; V2408-L2412 HydrophobicContact CG1-CD1 4.27Å; V2408-L2412 WeakPolarHBondContact O-CB 3.48Å; V2408-L2412 WeakPolarHBondContact O-CG 3.47Å; V2408-L2412 PolarHBondContact O-N 2.9Å
2409T92Very high90.2Very high1 Ų152.3 Ų52.31%0.00627%0.274CS..Hα-helixtrans-65.9-36.6171.356.50000111.2Q2209 L2213 H2404 R2405 Q2406 Y2411 L2412 L2413Q2209-T2409 HydrophobicContact CB-CG2 4.18Å; L2213-T2409 HydrophobicContact CD1-CG2 3.89Å; L2213-T2409 HydrophobicContact CD2-CG2 3.99Å; L2213-T2409 HydrophobicContact CG-CG2 3.94Å; H2404-T2409 WeakPolarHBondContact NE2-CB 3.39Å; H2404-T2409 WeakPolarHBondContact NE2-CG2 3.31Å; H2404-T2409 PolarHBondContact NE2-OG1 3.12Å; R2405-T2409 PolarHBondContact O-N 2.93Å; Q2406-T2409 WeakPolarHBondContact CA-OG1 3.21Å; Q2406-T2409 PolarHBondContact O-N 3.19Å; Q2406-T2409 PolarHBondContact O-OG1 2.89Å; Q2406-T2409 VanDerWaalsContact O-OG1 3.07Å; T2409-Y2411 VanDerWaalsContact C-N 3.29Å; T2409-Y2411 PolarHBondContact O-N 3.41Å; T2409-L2412 CarbonylContact O-C 3.59Å; T2409-L2412 PolarHBondContact O-N 3.5Å; T2409-L2412 VanDerWaalsContact O-N 3.13Å; T2409-L2413 VanDerWaalsContact O-CB 3.3Å; T2409-L2413 WeakPolarHBondContact O-CB 3.46Å; T2409-L2413 VanDerWaalsContact O-CG 3.31Å; T2409-L2413 WeakPolarHBondContact O-CG 3.32Å; T2409-L2413 PolarHBondContact O-N 3.31Å
2410D90.3Very high90.3Very high19 Ų1952.8 Ų52.810%0.10227%0.273CS..Hα-helixtrans-60.2-35.7173.6-72.96000111.5R2190 Q2406 V2408 D2414R2190-D2410 IonicContact CZ-OD2 2.71Å; R2190-D2410 IonicContact NE-OD2 2.96Å; R2190-D2410 PolarHBondContact NE-OD2 3.01Å; R2190-D2410 IonicContact NH2-OD2 3.18Å; R2190-D2410 PolarHBondContact NH2-OD2 3.47Å; Q2406-D2410 WeakPolarHBondContact CG-OD1 3.34Å; Q2406-D2410 VanDerWaalsContact O-CB 3.3Å; Q2406-D2410 WeakPolarHBondContact O-CB 3.35Å; Q2406-D2410 PolarHBondContact O-N 3.41Å; V2408-D2410 VanDerWaalsContact C-N 3.31Å; D2410-D2414 WeakPolarHBondContact O-CB 3.38Å; D2410-D2414 PolarHBondContact O-N 3.49Å
2411Y92.7Very high90.2Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-71.7-45.8169.7166.5-97.7000112.3F2198 L2201 L2256 E2260 V2408 T2409 L2413 D2414F2198-Y2411 HydrophobicContact CB-CE2 4.16Å; F2198-Y2411 HydrophobicContact CD2-CE1 4.39Å; F2198-Y2411 WeakPolarHBondContact CD2-OH 3.43Å; L2201-Y2411 HydrophobicContact CD1-CD1 3.74Å; L2201-Y2411 HydrophobicContact CD1-CD2 4.45Å; L2201-Y2411 HydrophobicContact CD1-CG 3.72Å; L2256-Y2411 HydrophobicContact CD2-CE1 4.34Å; E2260-Y2411 PolarHBondContact OE2-OH 2.64Å; V2408-Y2411 PolarHBondContact O-N 2.96Å; T2409-Y2411 VanDerWaalsContact C-N 3.29Å; T2409-Y2411 PolarHBondContact O-N 3.41Å; Y2411-L2413 PolarHBondContact O-N 3.21Å; Y2411-D2414 PolarHBondContact O-N 2.97Å
2412L94Very high90.2Very high4 Ų455.5 Ų55.52%0.02128%0.282CS..Hα-helixtrans-69.2-9.8-177.9-79.1172.3000114.7I2206 Q2209 L2210 L2213 R2249 L2256 V2408 T2409I2206-L2412 HydrophobicContact CG2-CD2 4.17Å; Q2209-L2412 HydrophobicContact CB-CD1 4.01Å; L2210-L2412 HydrophobicContact CB-CD1 4.11Å; L2213-L2412 HydrophobicContact CD1-CB 4.15Å; L2213-L2412 HydrophobicContact CD1-CD1 4.37Å; R2249-L2412 PolarHBondContact NH1-O 2.96Å; R2249-L2412 PolarHBondContact NH2-O 3.07Å; L2256-L2412 HydrophobicContact CD2-CD2 4.19Å; V2408-L2412 HydrophobicContact CG1-CD1 4.27Å; V2408-L2412 WeakPolarHBondContact O-CB 3.48Å; V2408-L2412 WeakPolarHBondContact O-CG 3.47Å; V2408-L2412 PolarHBondContact O-N 2.9Å; T2409-L2412 CarbonylContact O-C 3.59Å; T2409-L2412 PolarHBondContact O-N 3.5Å; T2409-L2412 VanDerWaalsContact O-N 3.13Å
2413L92.7Very high90.3Very high29 Ų2958.7 Ų58.715%0.15230%0.296CS..THydrogen-bonded Turntrans-118.80.7179.1-64.2168.4000112.8I2186 L2187 L2213 T2409 Y2411 P2415I2186-L2413 WeakPolarHBondContact O-CD1 3.44Å; L2187-L2413 HydrophobicContact CD2-CD2 4.18Å; L2213-L2413 HydrophobicContact CD1-CD1 4.36Å; L2213-L2413 HydrophobicContact CD1-CD2 4.36Å; L2213-L2413 HydrophobicContact CD1-CG 4.2Å; L2213-L2413 HydrophobicContact CD2-CD1 4.49Å; T2409-L2413 VanDerWaalsContact O-CB 3.3Å; T2409-L2413 WeakPolarHBondContact O-CB 3.46Å; T2409-L2413 VanDerWaalsContact O-CG 3.31Å; T2409-L2413 WeakPolarHBondContact O-CG 3.32Å; T2409-L2413 PolarHBondContact O-N 3.31Å; Y2411-L2413 PolarHBondContact O-N 3.21Å; L2413-P2415 WeakPolarHBondContact O-CD 3.44Å
2414D90.2Very high90.5Very high8 Ų854.8 Ų54.84%0.04327%0.272CS..  trans-66.7107.5-176.8-171.3-20.6000111.4S2194 D2410 Y2411 S2416 R2417S2194-D2414 PolarHBondContact N-OD2 3.01Å; D2410-D2414 WeakPolarHBondContact O-CB 3.38Å; D2410-D2414 PolarHBondContact O-N 3.49Å; Y2411-D2414 PolarHBondContact O-N 2.97Å; D2414-S2416 PolarHBondContact O-N 3.25Å; D2414-S2416 WeakPolarHBondContact OD1-CB 3.44Å; D2414-S2416 PolarHBondContact OD1-N 3.15Å; D2414-S2416 PolarHBondContact OD1-OG 3.28Å; D2414-R2417 HydrophobicContact CB-CG 4.2Å; D2414-R2417 PolarHBondContact O-N 3.45Å; D2414-R2417 IonicContact OD2-CZ 2.65Å; D2414-R2417 IonicContact OD2-NE 3.15Å; D2414-R2417 PolarHBondContact OD2-NE 3.41Å; D2414-R2417 IonicContact OD2-NH2 3.75Å
2415P86.4Confident90.7Very high74 Ų7453.9 Ų53.948%0.48127%0.266SS..G310 helixtrans-73.6-18.6-175.732.2-35000112.1P2189 L2413 R2417 L2418P2189-P2415 HydrophobicContact CB-CG 4.36Å; L2413-P2415 WeakPolarHBondContact O-CD 3.44Å; P2415-R2417 PolarHBondContact O-N 3.38Å; P2415-L2418 PolarHBondContact O-N 2.99Å
2416S87.4Confident90.8Very high82 Ų8254 Ų5457%0.57327%0.27SS*.G310 helixtrans-70-15.3-179.374.20000113.2D2414D2414-S2416 PolarHBondContact O-N 3.25Å; D2414-S2416 WeakPolarHBondContact OD1-CB 3.44Å; D2414-S2416 PolarHBondContact OD1-N 3.15Å; D2414-S2416 PolarHBondContact OD1-OG 3.28Å
2417R86.4Confident91.1Very high52 Ų5250 Ų5020%0.19626%0.257CS..G310 helixtrans-94-0.7180-59.2178.5-175.8-101.42.3113.3S2194 N2197 L2256 S2259 D2414 P2415S2194-R2417 PolarHBondContact O-NH2 3.09Å; N2197-R2417 PolarHBondContact OD1-NH1 3.05Å; N2197-R2417 PolarHBondContact OD1-NH2 3.39Å; L2256-R2417 HydrophobicContact CD1-CB 3.98Å; S2259-R2417 WeakPolarHBondContact CB-O 3.5Å; D2414-R2417 HydrophobicContact CB-CG 4.2Å; D2414-R2417 PolarHBondContact O-N 3.45Å; D2414-R2417 IonicContact OD2-CZ 2.65Å; D2414-R2417 IonicContact OD2-NE 3.15Å; D2414-R2417 PolarHBondContact OD2-NE 3.41Å; D2414-R2417 IonicContact OD2-NH2 3.75Å; P2415-R2417 PolarHBondContact O-N 3.38Å
2418L91.1Very high91.4Very high33 Ų3346.2 Ų46.217%0.17324%0.239CC..  trans-96.7107.7-178.5-58.5-178.7000111.1E2252 R2255 L2256 P2415E2252-L2418 HydrophobicContact CG-CD1 4.46Å; R2255-L2418 HydrophobicContact CB-CD2 4.46Å; R2255-L2418 HydrophobicContact CG-CD2 4.41Å; L2256-L2418 HydrophobicContact CB-CD2 3.76Å; L2256-L2418 HydrophobicContact CD1-CD2 4.16Å; P2415-L2418 PolarHBondContact O-N 2.99Å
2419L91.3Very high91.5Very high50 Ų5047.8 Ų47.826%0.26225%0.248SC..  trans-81139.7169.6-64.6172.8000110.2R2255 S2259 Q2423 T2424R2255-L2419 VanDerWaalsContact CD-O 3.26Å; R2255-L2419 WeakPolarHBondContact CD-O 3.47Å; R2255-L2419 WeakPolarHBondContact CG-O 3.49Å; S2259-L2419 PolarHBondContact OG-N 2.72Å; L2419-Q2423 HydrophobicContact CB-CB 4.21Å; L2419-Q2423 HydrophobicContact CD2-CB 4.46Å; L2419-T2424 HydrophobicContact CB-CG2 3.68Å
2420D89.7Confident91.5Very high84 Ų8453 Ų5345%0.44928%0.279SS..  trans-69.6158174.2-72.7-37.8000112.2R2255 E2422 Q2423 T2424R2255-D2420 IonicContact NH1-OD1 3.89Å; R2255-D2420 PolarHBondContact NH1-OD1 2.86Å; D2420-E2422 VanDerWaalsContact C-N 3.34Å; D2420-E2422 PolarHBondContact O-N 3.41Å; D2420-Q2423 HydrophobicContact CB-CG 4.18Å; D2420-Q2423 CarbonylContact O-C 3.57Å; D2420-Q2423 WeakPolarHBondContact O-CA 3.49Å; D2420-Q2423 VanDerWaalsContact O-CB 3.32Å; D2420-Q2423 WeakPolarHBondContact O-CB 3.28Å; D2420-Q2423 PolarHBondContact O-N 2.93Å; D2420-T2424 WeakPolarHBondContact O-CG2 3.43Å; D2420-T2424 PolarHBondContact O-N 2.74Å
2421E88.3Confident91.7Very high140 Ų14053.8 Ų53.865%0.65428%0.283SS*.Hα-helixtrans-54.9-46.3-170.3-172.5168.7-15400112.9Q2423 T2424 Y2425E2421-Q2423 PolarHBondContact O-N 2.97Å; E2421-T2424 PolarHBondContact O-N 3.5Å; E2421-T2424 PolarHBondContact O-OG1 2.85Å; E2421-Y2425 PolarHBondContact O-N 3.14Å
2422E90.9Very high91.7Very high119 Ų11954.2 Ų54.256%0.55629%0.285SS*.Hα-helixtrans-61.2-41.3174-176.960-152.900112.1D2420 Y2425 Q2426D2420-E2422 VanDerWaalsContact C-N 3.34Å; D2420-E2422 PolarHBondContact O-N 3.41Å; E2422-Y2425 PolarHBondContact O-N 3.2Å; E2422-Q2426 HydrophobicContact CG-CG 4.44Å; E2422-Q2426 WeakPolarHBondContact O-CG 3.3Å; E2422-Q2426 PolarHBondContact O-N 2.69Å; E2422-Q2426 WeakPolarHBondContact OE1-CG 3.42Å; E2422-Q2426 PolarHBondContact OE1-NE2 3.3Å
2423Q93Very high91.5Very high92 Ų9257.9 Ų57.943%0.4331%0.309SS..Hα-helixtrans-63.8-43.1177.2-60.9171.3-4.300111.2L2419 D2420 E2421 Y2425 Q2426 A2427L2419-Q2423 HydrophobicContact CB-CB 4.21Å; L2419-Q2423 HydrophobicContact CD2-CB 4.46Å; D2420-Q2423 HydrophobicContact CB-CG 4.18Å; D2420-Q2423 CarbonylContact O-C 3.57Å; D2420-Q2423 WeakPolarHBondContact O-CA 3.49Å; D2420-Q2423 VanDerWaalsContact O-CB 3.32Å; D2420-Q2423 WeakPolarHBondContact O-CB 3.28Å; D2420-Q2423 PolarHBondContact O-N 2.93Å; E2421-Q2423 PolarHBondContact O-N 2.97Å; Q2423-Y2425 VanDerWaalsContact C-N 3.27Å; Q2423-Y2425 PolarHBondContact O-N 3.48Å; Q2423-Q2426 PolarHBondContact O-N 3.34Å; Q2423-A2427 VanDerWaalsContact O-CB 3.26Å; Q2423-A2427 WeakPolarHBondContact O-CB 3.45Å; Q2423-A2427 PolarHBondContact O-N 3.21Å
2424T93.3Very high91.3Very high3 Ų364.3 Ų64.32%0.01833%0.331CS..Hα-helixtrans-60.8-39.2174.872.60000111.3V2258 S2304 L2419 D2420 E2421 S2428V2258-T2424 HydrophobicContact CG1-CG2 3.7Å; S2304-T2424 PolarHBondContact OG-OG1 2.98Å; L2419-T2424 HydrophobicContact CB-CG2 3.68Å; D2420-T2424 WeakPolarHBondContact O-CG2 3.43Å; D2420-T2424 PolarHBondContact O-N 2.74Å; E2421-T2424 PolarHBondContact O-N 3.5Å; E2421-T2424 PolarHBondContact O-OG1 2.85Å; T2424-S2428 WeakPolarHBondContact O-CB 3.29Å; T2424-S2428 PolarHBondContact O-N 3.43Å
2425Y94.2Very high90.5Very high59 Ų5969.1 Ų69.123%0.23135%0.353CS..Hα-helixtrans-70.6-42.9-178.7-164.1-102.7000111.6S2304 E2421 E2422 Q2423 S2428 L2429 R2434S2304-Y2425 WeakPolarHBondContact OG-CA 3.22Å; S2304-Y2425 PolarHBondContact OG-N 2.95Å; E2421-Y2425 PolarHBondContact O-N 3.14Å; E2422-Y2425 PolarHBondContact O-N 3.2Å; Q2423-Y2425 VanDerWaalsContact C-N 3.27Å; Q2423-Y2425 PolarHBondContact O-N 3.48Å; Y2425-S2428 WeakPolarHBondContact O-CB 3.26Å; Y2425-S2428 PolarHBondContact O-N 3.46Å; Y2425-L2429 HydrophobicContact CD1-CD1 3.71Å; Y2425-L2429 HydrophobicContact CD1-CG 4.25Å; Y2425-L2429 HydrophobicContact CE1-CD1 3.59Å; Y2425-L2429 HydrophobicContact CE1-CD2 4.4Å; Y2425-L2429 HydrophobicContact CE1-CG 4.06Å; Y2425-L2429 WeakPolarHBondContact O-CB 3.23Å; Y2425-L2429 VanDerWaalsContact O-CG 3.29Å; Y2425-L2429 WeakPolarHBondContact O-CG 3.39Å; Y2425-L2429 PolarHBondContact O-N 3.37Å; Y2425-R2434 PolarHBondContact OH-NH2 3.43Å
2426Q93.9Very high88.8Confident92 Ų9268.5 Ų68.543%0.4335%0.351SS..Hα-helixtrans-68.8-39.4176.2-64-61.4-15.400112.7E2422 Q2423 L2429 T2430E2422-Q2426 HydrophobicContact CG-CG 4.44Å; E2422-Q2426 WeakPolarHBondContact O-CG 3.3Å; E2422-Q2426 PolarHBondContact O-N 2.69Å; E2422-Q2426 WeakPolarHBondContact OE1-CG 3.42Å; E2422-Q2426 PolarHBondContact OE1-NE2 3.3Å; Q2423-Q2426 PolarHBondContact O-N 3.34Å; Q2426-L2429 PolarHBondContact O-N 3.12Å; Q2426-T2430 WeakPolarHBondContact O-CB 3.28Å; Q2426-T2430 PolarHBondContact O-N 2.76Å; Q2426-T2430 PolarHBondContact O-OG1 2.97Å
2427A93.5Very high86.7Confident30 Ų3069.1 Ų69.125%0.24835%0.347CS..Hα-helixtrans-64.5-41.6173.300000111.5I2262 Q2423 L2429 T2430 I2431I2262-A2427 HydrophobicContact CG2-CB 3.45Å; I2262-A2427 VanDerWaalsContact CG2-CB 3.45Å; Q2423-A2427 VanDerWaalsContact O-CB 3.26Å; Q2423-A2427 WeakPolarHBondContact O-CB 3.45Å; Q2423-A2427 PolarHBondContact O-N 3.21Å; A2427-L2429 PolarHBondContact O-N 3.28Å; A2427-T2430 WeakPolarHBondContact O-CB 3.45Å; A2427-T2430 PolarHBondContact O-N 3.42Å; A2427-T2430 VanDerWaalsContact O-N 3.11Å; A2427-I2431 WeakPolarHBondContact O-CG1 3.38Å; A2427-I2431 PolarHBondContact O-N 2.74Å
2428S95.8Very high84.1Confident0 Ų071.3 Ų71.30%036%0.362CS..Hα-helixtrans-59.5-44.6171.61790000112.4S2304 R2307 L2308 T2424 Y2425 T2430 I2431 E2432S2304-S2428 VanDerWaalsContact O-CB 3.26Å; S2304-S2428 WeakPolarHBondContact O-CB 3.32Å; S2304-S2428 PolarHBondContact O-OG 3.46Å; R2307-S2428 VanDerWaalsContact CD-OG 3.28Å; R2307-S2428 WeakPolarHBondContact CD-OG 3.32Å; R2307-S2428 WeakPolarHBondContact CG-OG 3.17Å; R2307-S2428 PolarHBondContact NH1-O 2.93Å; R2307-S2428 PolarHBondContact NH1-OG 3.38Å; L2308-S2428 WeakPolarHBondContact CD2-OG 3.44Å; T2424-S2428 WeakPolarHBondContact O-CB 3.29Å; T2424-S2428 PolarHBondContact O-N 3.43Å; Y2425-S2428 WeakPolarHBondContact O-CB 3.26Å; Y2425-S2428 PolarHBondContact O-N 3.46Å; S2428-T2430 VanDerWaalsContact C-N 3.25Å; S2428-T2430 PolarHBondContact O-N 3.16Å; S2428-I2431 PolarHBondContact O-N 2.77Å; S2428-E2432 PolarHBondContact O-N 3.47Å
2429L93.9Very high81.1Confident33 Ų3377.4 Ų77.417%0.17338%0.383CS..Hα-helixtrans-62.5-31.1174.2-74.4170.9000112.8Y2425 Q2426 A2427 E2432 P2433 R2434Y2425-L2429 HydrophobicContact CD1-CD1 3.71Å; Y2425-L2429 HydrophobicContact CD1-CG 4.25Å; Y2425-L2429 HydrophobicContact CE1-CD1 3.59Å; Y2425-L2429 HydrophobicContact CE1-CD2 4.4Å; Y2425-L2429 HydrophobicContact CE1-CG 4.06Å; Y2425-L2429 WeakPolarHBondContact O-CB 3.23Å; Y2425-L2429 VanDerWaalsContact O-CG 3.29Å; Y2425-L2429 WeakPolarHBondContact O-CG 3.39Å; Y2425-L2429 PolarHBondContact O-N 3.37Å; Q2426-L2429 PolarHBondContact O-N 3.12Å; A2427-L2429 PolarHBondContact O-N 3.28Å; L2429-E2432 CarbonylContact O-C 3.35Å; L2429-P2433 WeakPolarHBondContact O-CA 3.46Å; L2429-R2434 HydrophobicContact CD2-CG 3.7Å
2430T93.1Very high78.2Confident109 Ų10981 Ų8167%0.66940%0.398SS*.Hα-helixtrans-73-41.8177.5-56.80000111.3Q2426 A2427 S2428Q2426-T2430 WeakPolarHBondContact O-CB 3.28Å; Q2426-T2430 PolarHBondContact O-N 2.76Å; Q2426-T2430 PolarHBondContact O-OG1 2.97Å; A2427-T2430 WeakPolarHBondContact O-CB 3.45Å; A2427-T2430 PolarHBondContact O-N 3.42Å; A2427-T2430 VanDerWaalsContact O-N 3.11Å; S2428-T2430 VanDerWaalsContact C-N 3.25Å; S2428-T2430 PolarHBondContact O-N 3.16Å
2431I93.6Very high75.4Confident37 Ų3779.3 Ų79.319%0.1939%0.393CS..Hα-helixtrans-80.8-42.5-174.4-71167.8000112.6I2262 A2427 S2428I2262-I2431 HydrophobicContact CG2-CD1 4.47Å; I2262-I2431 WeakPolarHBondContact O-CD1 3.1Å; A2427-I2431 WeakPolarHBondContact O-CG1 3.38Å; A2427-I2431 PolarHBondContact O-N 2.74Å; S2428-I2431 PolarHBondContact O-N 2.77Å
2432E93.7Very high72.5Confident9 Ų977.1 Ų77.14%0.04239%0.386CS..SBendtrans-124.192.2165.6-71.3-167.4-143.900109.3R2270 R2307 L2308 K2309 R2310 T2311 S2428 L2429R2270-E2432 IonicContact NH2-OE1 2.78Å; R2307-E2432 VanDerWaalsContact CZ-O 3.27Å; R2307-E2432 PolarHBondContact NH1-O 3.44Å; R2307-E2432 PolarHBondContact NH2-O 3.41Å; L2308-E2432 HydrophobicContact CD2-CB 3.84Å; L2308-E2432 HydrophobicContact CD2-CG 4.01Å; K2309-E2432 PolarHBondContact N-OE2 3.11Å; R2310-E2432 WeakPolarHBondContact CB-OE2 3.38Å; R2310-E2432 PolarHBondContact N-OE1 2.96Å; R2310-E2432 PolarHBondContact N-OE2 2.86Å; T2311-E2432 WeakPolarHBondContact CB-OE1 3.47Å; T2311-E2432 PolarHBondContact N-OE1 3.07Å; T2311-E2432 PolarHBondContact OG1-OE1 3.45Å; S2428-E2432 PolarHBondContact O-N 3.47Å; L2429-E2432 CarbonylContact O-C 3.35Å
2433P90.3Very high69.4Low80 Ų8074.1 Ų74.152%0.51938%0.378SS..PPolyproline II helixtrans-52.4151173-29.636.8000112.8L2429 Q2435L2429-P2433 WeakPolarHBondContact O-CA 3.46Å; P2433-Q2435 PolarHBondContact O-N 3.14Å; P2433-Q2435 VanDerWaalsContact O-N 3.09Å
2434R86.9Confident66.4Low164 Ų16472.9 Ų72.962%0.61939%0.39SS*.PPolyproline II helixtrans-59.8117.7172.6-68.2-178.6178.7-170.80.6108.6Y2425 L2429 S2436Y2425-R2434 PolarHBondContact OH-NH2 3.43Å; L2429-R2434 HydrophobicContact CD2-CG 3.7Å; R2434-S2436 PolarHBondContact O-N 2.81Å; R2434-S2436 VanDerWaalsContact O-N 3.12Å
2435Q73.8Confident63.2Low109 Ų10982.9 Ų82.951%0.50943%0.434SS..PPolyproline II helixtrans-57116.2168.9-74.2176.2-13.200109.6S1813 P2433S1813-Q2435 WeakPolarHBondContact CB-O 3.22Å; P2433-Q2435 PolarHBondContact O-N 3.14Å; P2433-Q2435 VanDerWaalsContact O-N 3.09Å
2436S51.6Low60.2Low62 Ų6289.6 Ų89.643%0.43448%0.481SS..PPolyproline II helixtrans-75.2134.1163.451.90000109.4N1811 R2434N1811-S2436 VanDerWaalsContact C-CB 3.47Å; N1811-S2436 WeakPolarHBondContact O-CB 3.18Å; R2434-S2436 PolarHBondContact O-N 2.81Å; R2434-S2436 VanDerWaalsContact O-N 3.12Å
2437I41.8Very low58.5Low95 Ų9589.5 Ų89.549%0.48748%0.484SS..  trans-86.7-74.5-178.7-50.9164000115.3R1810 N1811 D1812R1810-I2437 CarbonylContact C-O 3.5Å; R1810-I2437 VanDerWaalsContact C-O 3.32Å; N1811-I2437 WeakPolarHBondContact CA-O 3.45Å; N1811-I2437 PolarHBondContact N-O 2.86Å; D1812-I2437 CarbonylContact O-C 3.37Å; D1812-I2437 VanDerWaalsContact O-C 3.29Å; D1812-I2437 WeakPolarHBondContact O-CA 3.45Å; D1812-I2437 WeakPolarHBondContact O-CB 3.12Å; D1812-I2437 PolarHBondContact O-N 3.04Å
2438N32.9Very low56.6Low97 Ų9792.6 Ų92.652%0.51950%0.496SS..SBendtrans-122.395.6-170.1-83.45.1000123D1809 N1811 D1812D1809-N2438 CarbonylContact O-C 3.56Å; D1809-N2438 WeakPolarHBondContact O-CA 3.32Å; D1809-N2438 WeakPolarHBondContact O-CB 3.1Å; N1811-N2438 VanDerWaalsContact N-C 3.32Å; D1812-N2438 PolarHBondContact O-N 3.49Å
2439R28.7Very low54.4Low162 Ų16297.7 Ų97.761%0.61152%0.524SS*.SBendtrans-159.1-3.7171.6-75.5-165.6-164-61.3-17.2122.8D1809 R1810 N1811 D1812D1809-R2439 VanDerWaalsContact C-N 3.29Å; D1809-R2439 WeakPolarHBondContact CB-O 3.14Å; D1809-R2439 PolarHBondContact O-N 2.94Å; R1810-R2439 VanDerWaalsContact CA-N 3.34Å; N1811-R2439 HydrophobicContact CB-CB 4.28Å; D1812-R2439 HydrophobicContact CB-CB 4.2Å; D1812-R2439 HydrophobicContact CB-CG 3.62Å; D1812-R2439 IonicContact OD2-CZ 3.8Å; D1812-R2439 IonicContact OD2-NE 2.8Å; D1812-R2439 PolarHBondContact OD2-NE 3.05Å; D1812-R2439 IonicContact OD2-NH2 2.79Å; D1812-R2439 PolarHBondContact OD2-NH2 3.25Å
2440Q28.6Very low52.1Low124 Ų124101.5 Ų101.558%0.57954%0.544SS*.SBendtrans-136.297.1160.2-64.1176.6-51.600118R1810 N1811R1810-Q2440 PolarHBondContact NH1-O 3.11Å; R1810-Q2440 CarbonylContact O-C 3.51Å; R1810-Q2440 VanDerWaalsContact O-CA 3.31Å; R1810-Q2440 WeakPolarHBondContact O-CA 3.44Å; R1810-Q2440 PolarHBondContact O-N 3.34Å; R1810-Q2440 VanDerWaalsContact O-O 3.05Å; N1811-Q2440 PolarHBondContact ND2-OE1 2.73Å
2441S30.7Very low49.6Very low49 Ų49101.1 Ų101.134%0.34354%0.536SS..SBendtrans-166.415.3176.973.30000119.7D1809 R1810D1809-S2441 PolarHBondContact OD1-N 3.09Å; R1810-S2441 WeakPolarHBondContact CG-OG 3.32Å; R1810-S2441 PolarHBondContact N-OG 2.79Å; R1810-S2441 VanDerWaalsContact N-OG 3.08Å; R1810-S2441 VanDerWaalsContact NE-CB 3.25Å
2442L27.6Very low46.6Very low95 Ų95105.3 Ų105.350%0.49756%0.559SS.*SBendtrans-148.533-176.6-86.8118000106.7L1807 R1808 D1809L1807-L2442 HydrophobicContact CB-CD2 4.22Å; L1807-L2442 HydrophobicContact CD2-CD2 3.87Å; R1808-L2442 HydrophobicContact CG-CB 4.2Å; R1808-L2442 PolarHBondContact NE-O 2.86Å; D1809-L2442 VanDerWaalsContact OD1-C 3.26Å; D1809-L2442 WeakPolarHBondContact OD1-CA 3.35Å; D1809-L2442 VanDerWaalsContact OD1-CB 3.23Å; D1809-L2442 WeakPolarHBondContact OD1-CB 3.33Å; D1809-L2442 PolarHBondContact OD1-N 3.09Å
2443S26.3Very low43.3Very low55 Ų55112.2 Ų112.239%0.38560%0.596SS.*SBendtrans-149.474.2179.739.60000106D1809D1809-S2443 PolarHBondContact OD1-N 3.03Å; D1809-S2443 PolarHBondContact OD1-OG 3.31Å; D1809-S2443 PolarHBondContact OD2-OG 3.46Å
2444G29.3Very low39.7Very low67 Ų67114.7 Ų114.769%0.69160%0.602SS**  trans17737.5-168.900000113.3
2445F27.4Very low35.7Very low212 Ų212110.6 Ų110.693%0.9360%0.601SS**  trans-141.442.4168.2-135.3-64.2000109.7
2446T29.9Very low32.3Very low200 Ų200110.7 Ų110.7100%1.22761%0.609SS**  trans-160.40170.349.30000105.7

Retrieved 2,446 of 2,446 residues in 1522.6 ms (Link to these results)

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