A0A5K4F7T5_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7T5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,018 aa.

>A0A5K4F7T5_SCHMA|A0A5K4F7T5
MTKSSDDRKTTNQLSETEQNFLRAARAGDLSKVVELLNAGVHINLSNSIGLTALHLASKEGRVHVVDELLRRGADFDAPTKKGNTALHISSLAGHYEVVKLLLDSGANINRQSATGFTPLYMAAQENRLNVVDLLLQRGANQALTTEDGFTPLAIALQQGHDRVVAHLLERDSRSRGGLPALHIAARKDDANAVSLLLNNAEVNVNHQSQPGFTPLHTAAHFGNVTVARVLIERGADVNFQAKNNITPLHVAAKWGRGGMVQLLLNSNALVDCRTRDGLTPLHCAARSGHAELASLLMGAGANPSAKTRNGLTPLHMAAQGNNEEVARVLILRGASVADRTGDSLTPLHVAAHCGNTEVARILLDNGCDVNARALNGFTPLHIACKKQKIRVIELLLQYDAQINMTTESGLSPLHVAAFIGGPEIVQLLIQHGANVNQATMRCETALHLAVRNRQVSVAETLIYHGASVNAKARDEQTPLHVACLTGTPELIAVLLSCKANPNLPARDGYTALHIACKEGRHDLLGQLLEAGADLNARTKKGFTALHLAAKRGHVKVAKQLIQAQPKSVNAIGQNDLTPLHIATHYNRLPVVQLLLDNNAQVDCRAGNGYTSLHMAAKQNHLDIATLLLAHESDQIQIANSSSRSGFTPLHLAAQEGHTDMVSLLLQHGADPNHQSKNGLAPLHLAAQEDHVSVAQILKSAGAKISPLTRAGYSPLHTACHFGQINMVRYLLDLPDAPDINQRTQMGFTPLHLATQQGHSQVVRLLLEMGADSNVRNQQGLTPAHIARKQHYVTIFDILKTVTTTVVSWEEEHEELDQTLMLEHPDFMREHPFTELDEDGVAPSPSISHRLSSSDKKIKSNEDDHYYSSDVTEQKRHTGLFNSAFDSTILAETENDDIWGQMEYMHSTLSDENTNEFIATQTSSILETASPKSVHNTEVQMFGESGQPDGDWDLEADNMAVIKKPISTGFLVSFIADARGGLIQARRYPDLRIFIPPNVINGPLRIVCRLVHPDRMNSPPIMNDGDGLACRLLEIGPPGIRFASPILLEIPHYAFLNGKNREIVILRSDNGETWKEHLLDATDQAVQDTLDGHFDYAGSLEELRAKSIHRILTYDLPQYFALITRIKQELILIGPEGGTLTSTVVPDVHVRFPQGALQKRIRVGLQVHPVDHELVTRMLGPRVSVSPIVTIEPRRRKFHKPITLTIPLPKTAISFFSGVADTKSRSTIDSPSLRLLCSIAGGTSPAVWEDITGSSPLTVHDLSVSFTSTVSARLWLVDCPNITEVVELASRVYHESLAVPYIGQFVVYARRFHPEEAQLRCLCLTDDSAEKTLELQEGFQLIANGPCIEVLDDHPHWIETAGNLVPVAKTEEQLQLGMHAFRENRLNMIVRVKDLSQPAVGKLAFMRHPRAVLQSAGSPVKPATVLEAKLPDELTDYRTGGILKTTDIDDMPSYIPEYNQNGDQYTTYNESLPQTWSKPVDHYDEPLAKSELDLRQVAYHLKSDWRILAQCLGLSDEDQYNITSLPNRPEEEYAYTSLLLWQERNGNELTSGTQLAEALQAIGRKDILEYCMTNISPVITADERVTALRSLNAVSPNLNVNRESRSHSKDGGGGLSESVDTGYGTQTGSTTLIPTTPVITKTMSSTIYTLPTLSNVDNSKQSEKEVEQEIIQPVTVTTGRKYSGLSPYVGKSITDVVPGDKYDVLKGVENILVDSQPSLTIEEDDKINSSTGPPVNEEMVVPTQSNRIGQLSRTDDMISSSNNIHKQIEKDSDLSNIYPDVSIDVESDLSHDTERQIFIKQHKQLFSDSLSHPYCEKLTDNVQSIVNKSFVDKADNEQAPDDHSYESCEQEICSHHYQRCGELEATWGKSADQDVPSCDTSGFHVDKTHEKQVCKTVLDGSNEEKICAHHYQRCGELEATWGKGADSDIPFGSTTSKLKTSEKDEEMLPIAQGIVPSEQSTYTRQLSDETETTSSKSKPANTFSIEDAMQQSSSSSSQEKLTKTIISKHTKSDKGEIK
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M32.6Very low37.7Very low231 Ų231126.7 Ų126.7100%1.13866%0.662SS**  0111.80-63.8147.8178.900106.6
2T32.8Very low38.1Very low128 Ų128123.8 Ų123.879%0.78565%0.648SS**  cis110.367.230.555.50000113.4
3K32Very low38.4Very low197 Ų197124.4 Ų124.486%0.85765%0.645SS**  trans175.5121.6136.2-98.3168.6-177.8-1770111.6
4S40.9Very low39.2Very low102 Ų102124.6 Ų124.671%0.71365%0.647SS**  trans170.3-45.4166.548.70000108.5D6S4-D6 VanDerWaalsContact C-N 3.33Å; S4-D6 PolarHBondContact O-N 2.98Å
5S37.3Very low40.7Very low64 Ų64119.9 Ų119.945%0.44863%0.629SS.*  trans57.2-15.6131.649.50000123.6K9S5-K9 VanDerWaalsContact O-CE 3.27Å; S5-K9 WeakPolarHBondContact O-CE 3.49Å
6D39.3Very low42.7Very low93 Ų93119.5 Ų119.550%0.49762%0.623SS.*SBendtrans-103.4-48.5-171.9-77.5-74000114.8S4 R8 K9S4-D6 VanDerWaalsContact C-N 3.33Å; S4-D6 PolarHBondContact O-N 2.98Å; D6-R8 PolarHBondContact O-N 2.7Å; D6-R8 VanDerWaalsContact O-N 3.08Å; D6-K9 WeakPolarHBondContact O-CB 3.33Å; D6-K9 WeakPolarHBondContact O-CG 3.46Å; D6-K9 PolarHBondContact O-N 3.35Å; D6-K9 WeakPolarHBondContact OD1-CE 3.27Å; D6-K9 IonicContact OD1-NZ 2.7Å; D6-K9 PolarHBondContact OD1-NZ 3.41Å
7D42.2Very low44.8Very low150 Ų150115.8 Ų115.880%0.80261%0.606SS**THydrogen-bonded Turntrans-65.6-17.3-179.3-53.6-55000114.3K9D7-K9 PolarHBondContact O-N 2.95Å
8R37.5Very low46.8Very low160 Ų160114.3 Ų114.360%0.60460%0.596SS**Hα-helixtrans-77.1-0.6174.6-73.4-176.3173174.5-1.6113.7D6 N12D6-R8 PolarHBondContact O-N 2.7Å; D6-R8 VanDerWaalsContact O-N 3.08Å; R8-N12 PolarHBondContact O-ND2 2.65Å
9K37.5Very low48.5Very low116 Ų116113.1 Ų113.150%0.50459%0.587SS.*Hα-helixtrans-84.6-32.9-171.9-72.5174.9176.4168.40114.7S5 D6 D7 Q13S5-K9 VanDerWaalsContact O-CE 3.27Å; S5-K9 WeakPolarHBondContact O-CE 3.49Å; D6-K9 WeakPolarHBondContact O-CB 3.33Å; D6-K9 WeakPolarHBondContact O-CG 3.46Å; D6-K9 PolarHBondContact O-N 3.35Å; D6-K9 WeakPolarHBondContact OD1-CE 3.27Å; D6-K9 IonicContact OD1-NZ 2.7Å; D6-K9 PolarHBondContact OD1-NZ 3.41Å; D7-K9 PolarHBondContact O-N 2.95Å; K9-Q13 WeakPolarHBondContact O-CG 3.34Å
10T38.8Very low50.4Low103 Ų103110.4 Ų110.463%0.63257%0.573SS**Hα-helixtrans-83.1-42.3-175.641.90000112.7
11T43.7Very low52.3Low50 Ų50105.1 Ų105.131%0.30755%0.546SS..Hα-helixtrans-74.1-28.4-177.7520000114.2Q13 S1224T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 3.5Å; T11-S1224 WeakPolarHBondContact CB-OG 3.25Å; T11-S1224 PolarHBondContact OG1-OG 2.87Å
12N42.8Very low55Low92 Ų9295 Ų9549%0.49250%0.497SS..Hα-helixtrans-67.6-28.1177-86.9-45.3000113.5R8 L14 S15 E16R8-N12 PolarHBondContact O-ND2 2.65Å; N12-L14 PolarHBondContact O-N 3.41Å; N12-S15 PolarHBondContact O-N 3.49Å; N12-E16 PolarHBondContact O-N 2.92Å
13Q41.7Very low57.7Low131 Ų13194.9 Ų94.961%0.61248%0.482SS*.Hα-helixtrans-65.2-36.8-170.9-74.6179.6-2.600113.5K9 T11 E16 T17K9-Q13 WeakPolarHBondContact O-CG 3.34Å; T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 3.5Å; Q13-E16 PolarHBondContact O-N 2.92Å; Q13-T17 PolarHBondContact O-N 3.49Å; Q13-T17 PolarHBondContact O-OG1 2.99Å
14L49.2Very low60.4Low127 Ų12785.9 Ų85.967%0.66544%0.444SS*.Hα-helixtrans-69.3-43.6-180-77.2162000112.3N12 E16 T17 E18N12-L14 PolarHBondContact O-N 3.41Å; L14-E16 VanDerWaalsContact C-N 3.26Å; L14-E16 PolarHBondContact O-N 3.4Å; L14-T17 WeakPolarHBondContact CA-OG1 3.41Å; L14-T17 PolarHBondContact O-N 2.92Å; L14-T17 PolarHBondContact O-OG1 3.21Å; L14-E18 PolarHBondContact O-N 2.87Å
15S62.9Low62.8Low54 Ų5481 Ų8138%0.37841%0.41SS..Hα-helixtrans-63.5-33.3176.8-1700000112.2N12 Q19N12-S15 PolarHBondContact O-N 3.49Å; S15-Q19 WeakPolarHBondContact O-CG 3.33Å; S15-Q19 PolarHBondContact O-N 3.29Å; S15-Q19 VanDerWaalsContact O-N 3.16Å
16E72.7Confident65.3Low114 Ų11484.1 Ų84.153%0.53341%0.412SS..Hα-helixtrans-70.2-38.7177.5-169.3163.9-147.300112.3N12 Q13 L14 N20N12-E16 PolarHBondContact O-N 2.92Å; Q13-E16 PolarHBondContact O-N 2.92Å; L14-E16 VanDerWaalsContact C-N 3.26Å; L14-E16 PolarHBondContact O-N 3.4Å; E16-N20 VanDerWaalsContact O-CB 3.3Å; E16-N20 WeakPolarHBondContact O-CB 3.27Å; E16-N20 PolarHBondContact O-N 3.22Å; E16-N20 PolarHBondContact O-ND2 2.76Å; E16-N20 VanDerWaalsContact O-ND2 3.13Å
17T76.8Confident67.6Low56 Ų5682.9 Ų82.934%0.34442%0.415SS..Hα-helixtrans-62.8-41174.1370000113.4Q13 L14 N20 F21Q13-T17 PolarHBondContact O-N 3.49Å; Q13-T17 PolarHBondContact O-OG1 2.99Å; L14-T17 WeakPolarHBondContact CA-OG1 3.41Å; L14-T17 PolarHBondContact O-N 2.92Å; L14-T17 PolarHBondContact O-OG1 3.21Å; T17-N20 PolarHBondContact O-N 3.05Å; T17-F21 PolarHBondContact O-N 2.84Å; T17-F21 VanDerWaalsContact O-N 3.07Å
18E80.9Confident69.9Low90 Ų9077.1 Ų77.142%0.42139%0.391SS..Hα-helixtrans-63.8-49.2177.8-74.9176.5158.600112L14 N20 F21 L22 L45L14-E18 PolarHBondContact O-N 2.87Å; E18-N20 PolarHBondContact O-N 3.36Å; E18-F21 PolarHBondContact O-N 2.95Å; E18-L22 PolarHBondContact O-N 3.46Å; E18-L45 HydrophobicContact CB-CD1 4.49Å; E18-L45 HydrophobicContact CB-CD2 3.67Å; E18-L45 HydrophobicContact CG-CD1 4.4Å; E18-L45 HydrophobicContact CG-CD2 4.08Å; E18-L45 VanDerWaalsContact O-CD2 3.31Å; E18-L45 WeakPolarHBondContact O-CD2 3.33Å
19Q80.6Confident72.4Confident91 Ų9173 Ų7343%0.42538%0.381SS..Hα-helixtrans-61.9-34.6175.4-67.5179.627.300112S15 L22 R23S15-Q19 WeakPolarHBondContact O-CG 3.33Å; S15-Q19 PolarHBondContact O-N 3.29Å; S15-Q19 VanDerWaalsContact O-N 3.16Å; Q19-L22 PolarHBondContact O-N 3.47Å; Q19-R23 WeakPolarHBondContact O-CB 3.42Å; Q19-R23 VanDerWaalsContact O-CG 3.26Å; Q19-R23 WeakPolarHBondContact O-CG 3.48Å; Q19-R23 PolarHBondContact O-N 2.8Å
20N86Confident74.9Confident58 Ų5870.6 Ų70.631%0.3137%0.373SS..Hα-helixtrans-70-29.7177.9-73.4-21.1000113.2E16 T17 E18 R23 A24 L36E16-N20 VanDerWaalsContact O-CB 3.3Å; E16-N20 WeakPolarHBondContact O-CB 3.27Å; E16-N20 PolarHBondContact O-N 3.22Å; E16-N20 PolarHBondContact O-ND2 2.76Å; E16-N20 VanDerWaalsContact O-ND2 3.13Å; T17-N20 PolarHBondContact O-N 3.05Å; E18-N20 PolarHBondContact O-N 3.36Å; N20-R23 PolarHBondContact OD1-NH1 3.13Å; N20-A24 VanDerWaalsContact O-CB 3.28Å; N20-A24 WeakPolarHBondContact O-CB 3.39Å; N20-A24 PolarHBondContact O-N 3.08Å; N20-L36 HydrophobicContact CB-CD1 4.39Å
21F90.1Very high77.3Confident0 Ų070.2 Ų70.20%037%0.374CS..Hα-helixtrans-65.5-46.2171.1173.4-117000111.8T17 E18 R23 A24 A25 V33 L36 L37 V41 H42 L45 A53 L69T17-F21 PolarHBondContact O-N 2.84Å; T17-F21 VanDerWaalsContact O-N 3.07Å; E18-F21 PolarHBondContact O-N 2.95Å; F21-R23 PolarHBondContact O-N 2.99Å; F21-A24 PolarHBondContact O-N 2.88Å; F21-A25 PolarHBondContact O-N 3.39Å; F21-V33 HydrophobicContact CE2-CG1 4.09Å; F21-L36 HydrophobicContact CB-CB 4.33Å; F21-L36 HydrophobicContact CB-CD1 3.96Å; F21-L36 HydrophobicContact CD2-CB 4.14Å; F21-L37 HydrophobicContact CE2-CD1 4.15Å; F21-L37 HydrophobicContact CE2-CD2 3.69Å; F21-L37 HydrophobicContact CE2-CG 3.65Å; F21-L37 HydrophobicContact CZ-CD2 3.65Å; F21-L37 HydrophobicContact CZ-CG 4.12Å; F21-V41 HydrophobicContact CB-CB 4.47Å; F21-V41 HydrophobicContact CB-CG1 3.74Å; F21-V41 HydrophobicContact CD1-CG1 3.62Å; F21-V41 HydrophobicContact CD2-CG1 4.49Å; F21-V41 HydrophobicContact CE1-CG1 4.35Å; F21-V41 HydrophobicContact CG-CB 4.42Å; F21-V41 HydrophobicContact CG-CG1 3.71Å; F21-H42 WeakPolarHBondContact CE1-O 3.48Å; F21-L45 HydrophobicContact CD1-CB 4.27Å; F21-L45 HydrophobicContact CD1-CD2 4.05Å; F21-L45 HydrophobicContact CE1-CB 4.37Å; F21-A53 HydrophobicContact CD1-CB 4.29Å; F21-A53 HydrophobicContact CE1-CB 3.48Å; F21-A53 VanDerWaalsContact CE1-CB 3.48Å; F21-A53 HydrophobicContact CE2-CB 4.44Å; F21-A53 HydrophobicContact CZ-CB 3.55Å; F21-L69 HydrophobicContact CZ-CD2 4.08Å
22L89.9Confident79.3Confident19 Ų1971.5 Ų71.510%0.09938%0.376CS..Hα-helixtrans-65.5-37.4176.7-60.3-174.8000112.3E18 Q19 R26 L45 N47 A53 L56E18-L22 PolarHBondContact O-N 3.46Å; Q19-L22 PolarHBondContact O-N 3.47Å; L22-R26 WeakPolarHBondContact O-CB 3.49Å; L22-R26 PolarHBondContact O-N 2.95Å; L22-L45 HydrophobicContact CD1-CD2 4.23Å; L22-L45 HydrophobicContact CD1-CG 4.35Å; L22-L45 HydrophobicContact CD2-CB 4.44Å; L22-L45 HydrophobicContact CD2-CD2 4.14Å; L22-L45 HydrophobicContact CD2-CG 4.27Å; L22-L45 WeakPolarHBondContact CD2-O 3.37Å; L22-L45 HydrophobicContact CG-CD2 3.91Å; L22-L45 HydrophobicContact CG-CG 4.37Å; L22-N47 HydrophobicContact CD1-CB 3.99Å; L22-A53 HydrophobicContact CD2-CB 4.19Å; L22-L56 HydrophobicContact CB-CD1 3.81Å; L22-L56 HydrophobicContact CD2-CD1 4.34Å
23R88.5Confident81.4Confident126 Ų12667.1 Ų67.148%0.47535%0.352SS..Hα-helixtrans-63-45.4171.8-72.8171-172.7127.49.2111.7Q19 N20 F21 R26 A27Q19-R23 WeakPolarHBondContact O-CB 3.42Å; Q19-R23 VanDerWaalsContact O-CG 3.26Å; Q19-R23 WeakPolarHBondContact O-CG 3.48Å; Q19-R23 PolarHBondContact O-N 2.8Å; N20-R23 PolarHBondContact OD1-NH1 3.13Å; F21-R23 PolarHBondContact O-N 2.99Å; R23-R26 PolarHBondContact O-N 2.78Å; R23-A27 VanDerWaalsContact O-CB 3.25Å; R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.34Å
24A90.1Very high83.7Confident7 Ų762.4 Ų62.46%0.05833%0.333CS..Hα-helixtrans-61.2-45.6177.900000111.8N20 F21 R26 A27 G28 D29 K32 V33N20-A24 VanDerWaalsContact O-CB 3.28Å; N20-A24 WeakPolarHBondContact O-CB 3.39Å; N20-A24 PolarHBondContact O-N 3.08Å; F21-A24 PolarHBondContact O-N 2.88Å; A24-R26 PolarHBondContact O-N 3.02Å; A24-A27 PolarHBondContact O-N 3.07Å; A24-G28 PolarHBondContact O-N 3.28Å; A24-D29 HydrophobicContact CB-CB 4.43Å; A24-D29 PolarHBondContact O-N 3.45Å; A24-K32 HydrophobicContact CB-CB 3.86Å; A24-K32 HydrophobicContact CB-CG 3.96Å; A24-V33 HydrophobicContact CB-CG2 3.85Å
25A89.9Confident85.5Confident0 Ų061.4 Ų61.40%032%0.324CS..Hα-helixtrans-62.3-41.817700000112.5F21 G28 V33 A53 V65F21-A25 PolarHBondContact O-N 3.39Å; A25-G28 PolarHBondContact O-N 3.24Å; A25-V33 HydrophobicContact CB-CG2 4.14Å; A25-A53 HydrophobicContact CB-CB 3.7Å; A25-V65 HydrophobicContact CB-CG1 4.29Å
26R89.7Confident86.6Confident129 Ų12959.5 Ų59.549%0.48731%0.31SS..Hα-helixtrans-65.7-41.8174.8-163.8-178.1-179.8-168-7.1112.6L22 R23 A24 G28 L56 E60 R62L22-R26 WeakPolarHBondContact O-CB 3.49Å; L22-R26 PolarHBondContact O-N 2.95Å; R23-R26 PolarHBondContact O-N 2.78Å; A24-R26 PolarHBondContact O-N 3.02Å; R26-G28 VanDerWaalsContact C-N 3.28Å; R26-G28 PolarHBondContact O-N 3.38Å; R26-L56 HydrophobicContact CB-CB 4.05Å; R26-L56 HydrophobicContact CB-CD1 4.49Å; R26-L56 HydrophobicContact CG-CB 4.32Å; R26-E60 HydrophobicContact CG-CG 3.64Å; R26-E60 IonicContact CZ-OE1 2.72Å; R26-E60 IonicContact NE-OE1 2.74Å; R26-E60 PolarHBondContact NE-OE1 2.96Å; R26-E60 IonicContact NH2-OE1 3.18Å; R26-E60 PolarHBondContact NH2-OE1 2.72Å; R26-R62 PolarHBondContact O-NE 2.97Å; R26-R62 PolarHBondContact O-NH2 2.73Å
27A88.9Confident87.3Confident68 Ų6855.2 Ų55.256%0.56229%0.29SS*.Hα-helixtrans-69.1-26178.100000112.9R23 A24 R62R23-A27 VanDerWaalsContact O-CB 3.25Å; R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.34Å; A24-A27 PolarHBondContact O-N 3.07Å; A27-R62 PolarHBondContact O-NE 3.44Å
28G89.7Confident87.8Confident29 Ų2957.9 Ų57.930%0.29930%0.303SS..THydrogen-bonded Turntrans8815-173.400000114A24 A25 R26 L30A24-G28 PolarHBondContact O-N 3.28Å; A25-G28 PolarHBondContact O-N 3.24Å; R26-G28 VanDerWaalsContact C-N 3.28Å; R26-G28 PolarHBondContact O-N 3.38Å; G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 3.23Å
29D90.8Very high87.8Confident73 Ų7357.5 Ų57.539%0.3932%0.315SS..  trans-77.783179.2-170.9-18.5000110.5A24 S31 K32 V33A24-D29 HydrophobicContact CB-CB 4.43Å; A24-D29 PolarHBondContact O-N 3.45Å; D29-S31 PolarHBondContact O-N 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.3Å; D29-S31 PolarHBondContact OD1-N 2.73Å; D29-K32 HydrophobicContact CB-CB 3.96Å; D29-K32 PolarHBondContact O-N 3.24Å; D29-K32 WeakPolarHBondContact OD1-CB 3.28Å; D29-K32 PolarHBondContact OD1-N 3.27Å; D29-K32 WeakPolarHBondContact OD2-CB 3.31Å; D29-V33 WeakPolarHBondContact O-CB 3.21Å; D29-V33 VanDerWaalsContact O-CG2 3.31Å; D29-V33 WeakPolarHBondContact O-CG2 3.34Å; D29-V33 PolarHBondContact O-N 3.12Å
30L89.5Confident87.9Confident65 Ų6556.2 Ų56.234%0.3433%0.326SS..Hα-helixtrans-55.2-36.9178.3-178.463.1000112.4G28 V33 V34 H64 V65 E68G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 3.23Å; L30-V33 PolarHBondContact O-N 2.71Å; L30-V34 HydrophobicContact CD1-CG2 4.26Å; L30-V34 WeakPolarHBondContact O-CB 3.35Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.22Å; L30-H64 HydrophobicContact CD2-CB 4.47Å; L30-V65 HydrophobicContact CB-CG2 4.15Å; L30-V65 HydrophobicContact CD1-CG2 4.29Å; L30-E68 HydrophobicContact CD1-CB 3.58Å; L30-E68 HydrophobicContact CD1-CG 3.77Å
31S88.5Confident87.8Confident95 Ų9554.5 Ų54.566%0.66432%0.318SS*.Hα-helixtrans-65-47.1179-59.10000111D29 V34 E35D29-S31 PolarHBondContact O-N 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.3Å; D29-S31 PolarHBondContact OD1-N 2.73Å; S31-V34 PolarHBondContact O-N 3.44Å; S31-E35 WeakPolarHBondContact O-CB 3.4Å; S31-E35 PolarHBondContact O-N 3.42Å
32K87.1Confident87.7Confident78 Ų7860.6 Ų60.634%0.33935%0.346SS..Hα-helixtrans-69.7-36.2177.9-159.484.6-158.9151.70112.3A24 D29 E35 L36A24-K32 HydrophobicContact CB-CB 3.86Å; A24-K32 HydrophobicContact CB-CG 3.96Å; D29-K32 HydrophobicContact CB-CB 3.96Å; D29-K32 PolarHBondContact O-N 3.24Å; D29-K32 WeakPolarHBondContact OD1-CB 3.28Å; D29-K32 PolarHBondContact OD1-N 3.27Å; D29-K32 WeakPolarHBondContact OD2-CB 3.31Å; K32-E35 WeakPolarHBondContact CD-OE2 3.41Å; K32-E35 WeakPolarHBondContact CE-OE2 3.24Å; K32-E35 IonicContact NZ-OE1 3.48Å; K32-E35 PolarHBondContact NZ-OE1 2.88Å; K32-E35 IonicContact NZ-OE2 2.98Å; K32-E35 PolarHBondContact NZ-OE2 3.34Å; K32-E35 PolarHBondContact O-N 3.33Å; K32-L36 HydrophobicContact CG-CD1 4.08Å; K32-L36 WeakPolarHBondContact O-CB 3.25Å; K32-L36 VanDerWaalsContact O-CG 3.27Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.32Å
33V86.7Confident87.6Confident0 Ų060.7 Ų60.70%035%0.347CS..Hα-helixtrans-58.4-50.7171.1162.30000110.3F21 A24 A25 D29 L30 L36 L37 V65 L69F21-V33 HydrophobicContact CE2-CG1 4.09Å; A24-V33 HydrophobicContact CB-CG2 3.85Å; A25-V33 HydrophobicContact CB-CG2 4.14Å; D29-V33 WeakPolarHBondContact O-CB 3.21Å; D29-V33 VanDerWaalsContact O-CG2 3.31Å; D29-V33 WeakPolarHBondContact O-CG2 3.34Å; D29-V33 PolarHBondContact O-N 3.12Å; L30-V33 PolarHBondContact O-N 2.71Å; V33-L36 PolarHBondContact O-N 3.29Å; V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.24Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.95Å; V33-V65 HydrophobicContact CG1-CG1 4.47Å; V33-V65 HydrophobicContact CG2-CG1 4.21Å; V33-L69 HydrophobicContact CG1-CD2 4.38Å
34V89.4Confident87.7Confident32 Ų3256.9 Ų56.919%0.19434%0.336CS..Hα-helixtrans-68-39.1179.1169.20000112.2L30 S31 L36 N38 E68L30-V34 HydrophobicContact CD1-CG2 4.26Å; L30-V34 WeakPolarHBondContact O-CB 3.35Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.22Å; S31-V34 PolarHBondContact O-N 3.44Å; V34-L36 PolarHBondContact O-N 3.16Å; V34-N38 VanDerWaalsContact O-CB 3.25Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.01Å; V34-N38 PolarHBondContact O-ND2 2.93Å; V34-N38 PolarHBondContact O-OD1 3.47Å; V34-E68 HydrophobicContact CG2-CG 3.99Å
35E87.6Confident87.5Confident105 Ų10558 Ų5849%0.49134%0.341SS..Hα-helixtrans-56.2-49173.3-175.6-169.7167.100111.3S31 K32 N38 A39S31-E35 WeakPolarHBondContact O-CB 3.4Å; S31-E35 PolarHBondContact O-N 3.42Å; K32-E35 WeakPolarHBondContact CD-OE2 3.41Å; K32-E35 WeakPolarHBondContact CE-OE2 3.24Å; K32-E35 IonicContact NZ-OE1 3.48Å; K32-E35 PolarHBondContact NZ-OE1 2.88Å; K32-E35 IonicContact NZ-OE2 2.98Å; K32-E35 PolarHBondContact NZ-OE2 3.34Å; K32-E35 PolarHBondContact O-N 3.33Å; E35-N38 PolarHBondContact O-N 3.2Å; E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.07Å
36L86.2Confident87.5Confident15 Ų1560.7 Ų60.78%0.07936%0.359CS..Hα-helixtrans-74-35.4-177.1-69168.7000112.9N20 F21 K32 V33 V34 A39 G40 V41N20-L36 HydrophobicContact CB-CD1 4.39Å; F21-L36 HydrophobicContact CB-CB 4.33Å; F21-L36 HydrophobicContact CB-CD1 3.96Å; F21-L36 HydrophobicContact CD2-CB 4.14Å; K32-L36 HydrophobicContact CG-CD1 4.08Å; K32-L36 WeakPolarHBondContact O-CB 3.25Å; K32-L36 VanDerWaalsContact O-CG 3.27Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.32Å; V33-L36 PolarHBondContact O-N 3.29Å; V34-L36 PolarHBondContact O-N 3.16Å; L36-A39 CarbonylContact O-C 3.57Å; L36-A39 PolarHBondContact O-N 2.91Å; L36-G40 PolarHBondContact O-N 3.47Å; L36-V41 HydrophobicContact CB-CB 4.48Å; L36-V41 HydrophobicContact CB-CG2 4.1Å; L36-V41 HydrophobicContact CD2-CG2 4.45Å; L36-V41 WeakPolarHBondContact O-CB 3.44Å; L36-V41 WeakPolarHBondContact O-CG2 3.04Å; L36-V41 PolarHBondContact O-N 3.46Å
37L86.5Confident87.3Confident23 Ų2357 Ų5712%0.1235%0.349CS..Hα-helixtrans-63.8-42.6170.5-71.7171.4000111.5F21 V33 A39 G40 V41 I43 L69F21-L37 HydrophobicContact CE2-CD1 4.15Å; F21-L37 HydrophobicContact CE2-CD2 3.69Å; F21-L37 HydrophobicContact CE2-CG 3.65Å; F21-L37 HydrophobicContact CZ-CD2 3.65Å; F21-L37 HydrophobicContact CZ-CG 4.12Å; V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.24Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.95Å; L37-A39 PolarHBondContact O-N 3.25Å; L37-G40 PolarHBondContact O-N 3.41Å; L37-V41 WeakPolarHBondContact CD2-O 3.31Å; L37-I43 HydrophobicContact CD1-CD1 4.42Å; L37-I43 HydrophobicContact CD2-CB 3.76Å; L37-I43 HydrophobicContact CD2-CD1 4.36Å; L37-I43 HydrophobicContact CD2-CG1 3.93Å; L37-L69 HydrophobicContact CD1-CD2 4.3Å
38N86.6Confident87.1Confident113 Ų11358.2 Ų58.260%0.60435%0.353SS*.Hα-helixtrans-69-23.2175.8-65.8-7.9000112.4V34 E35 G40 R72V34-N38 VanDerWaalsContact O-CB 3.25Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.01Å; V34-N38 PolarHBondContact O-ND2 2.93Å; V34-N38 PolarHBondContact O-OD1 3.47Å; E35-N38 PolarHBondContact O-N 3.2Å; N38-G40 VanDerWaalsContact C-N 3.27Å; N38-R72 PolarHBondContact OD1-NH1 3.29Å
39A82.6Confident86.8Confident81 Ų8161.2 Ų61.267%0.66936%0.362SS*.THydrogen-bonded Turntrans-80.9-0.9170.900000113.8E35 L36 L37E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.07Å; L36-A39 CarbonylContact O-C 3.57Å; L36-A39 PolarHBondContact O-N 2.91Å; L37-A39 PolarHBondContact O-N 3.25Å
40G81.8Confident86.5Confident65 Ų6558.2 Ų58.267%0.6735%0.348SS*.THydrogen-bonded Turntrans95.711.4174.700000115.9L36 L37 N38 H42L36-G40 PolarHBondContact O-N 3.47Å; L37-G40 PolarHBondContact O-N 3.41Å; N38-G40 VanDerWaalsContact C-N 3.27Å; G40-H42 PolarHBondContact O-N 3.08Å
41V84.4Confident86.5Confident22 Ų2256.4 Ų56.413%0.13334%0.338CS..  trans-66.8133.3172.8-177.90000110F21 L36 L37 I43 L45F21-V41 HydrophobicContact CB-CB 4.47Å; F21-V41 HydrophobicContact CB-CG1 3.74Å; F21-V41 HydrophobicContact CD1-CG1 3.62Å; F21-V41 HydrophobicContact CD2-CG1 4.49Å; F21-V41 HydrophobicContact CE1-CG1 4.35Å; F21-V41 HydrophobicContact CG-CB 4.42Å; F21-V41 HydrophobicContact CG-CG1 3.71Å; L36-V41 HydrophobicContact CB-CB 4.48Å; L36-V41 HydrophobicContact CB-CG2 4.1Å; L36-V41 HydrophobicContact CD2-CG2 4.45Å; L36-V41 WeakPolarHBondContact O-CB 3.44Å; L36-V41 WeakPolarHBondContact O-CG2 3.04Å; L36-V41 PolarHBondContact O-N 3.46Å; L37-V41 WeakPolarHBondContact CD2-O 3.31Å; V41-I43 PolarHBondContact O-N 2.87Å; V41-L45 HydrophobicContact CG1-CD2 4.16Å
42H86.8Confident86.7Confident127 Ų12752.2 Ų52.259%0.58831%0.309SS*.  trans-66.5126.3-177.3-172.1-111.4000111.8F21 G40 N44 L45F21-H42 WeakPolarHBondContact CE1-O 3.48Å; G40-H42 PolarHBondContact O-N 3.08Å; H42-N44 VanDerWaalsContact C-N 3.31Å; H42-N44 PolarHBondContact O-N 3.34Å; H42-L45 PolarHBondContact ND1-N 2.85Å; H42-L45 WeakPolarHBondContact O-CB 3.38Å; H42-L45 PolarHBondContact O-N 2.9Å
43I88.9Confident86.9Confident22 Ų2248.5 Ų48.511%0.11329%0.292CS..THydrogen-bonded Turntrans-62.7-36.1-172.7-167.8165.5000113.8L37 V41 L45 L69 R72 A74L37-I43 HydrophobicContact CD1-CD1 4.42Å; L37-I43 HydrophobicContact CD2-CB 3.76Å; L37-I43 HydrophobicContact CD2-CD1 4.36Å; L37-I43 HydrophobicContact CD2-CG1 3.93Å; V41-I43 PolarHBondContact O-N 2.87Å; I43-L45 VanDerWaalsContact C-N 3.3Å; I43-L45 PolarHBondContact O-N 2.91Å; I43-L69 HydrophobicContact CD1-CD2 3.89Å; I43-L69 WeakPolarHBondContact CD1-O 3.47Å; I43-L69 HydrophobicContact CG1-CD2 3.61Å; I43-R72 HydrophobicContact CD1-CB 3.4Å; I43-R72 VanDerWaalsContact CD1-CB 3.4Å; I43-A74 HydrophobicContact CD1-CB 3.96Å; I43-A74 HydrophobicContact CG1-CB 3.99Å
44N89.7Confident87.3Confident46 Ų4648.5 Ų48.525%0.24629%0.292CS..THydrogen-bonded Turntrans-9320.9176.7-63.5-39.6000112.5H42 S46 A74 D75H42-N44 VanDerWaalsContact C-N 3.31Å; H42-N44 PolarHBondContact O-N 3.34Å; N44-S46 PolarHBondContact O-N 3.35Å; N44-A74 VanDerWaalsContact OD1-CA 3.28Å; N44-A74 WeakPolarHBondContact OD1-CA 3.48Å; N44-D75 PolarHBondContact OD1-N 3.03Å
45L86.8Confident87.5Confident31 Ų3147 Ų4716%0.16228%0.283CS..  trans-52.2138.1164.2-179.875.1000109.2E18 F21 L22 V41 H42 I43 T52 A53E18-L45 HydrophobicContact CB-CD1 4.49Å; E18-L45 HydrophobicContact CB-CD2 3.67Å; E18-L45 HydrophobicContact CG-CD1 4.4Å; E18-L45 HydrophobicContact CG-CD2 4.08Å; E18-L45 VanDerWaalsContact O-CD2 3.31Å; E18-L45 WeakPolarHBondContact O-CD2 3.33Å; F21-L45 HydrophobicContact CD1-CB 4.27Å; F21-L45 HydrophobicContact CD1-CD2 4.05Å; F21-L45 HydrophobicContact CE1-CB 4.37Å; L22-L45 HydrophobicContact CD1-CD2 4.23Å; L22-L45 HydrophobicContact CD1-CG 4.35Å; L22-L45 HydrophobicContact CD2-CB 4.44Å; L22-L45 HydrophobicContact CD2-CD2 4.14Å; L22-L45 HydrophobicContact CD2-CG 4.27Å; L22-L45 WeakPolarHBondContact CD2-O 3.37Å; L22-L45 HydrophobicContact CG-CD2 3.91Å; L22-L45 HydrophobicContact CG-CG 4.37Å; V41-L45 HydrophobicContact CG1-CD2 4.16Å; H42-L45 PolarHBondContact ND1-N 2.85Å; H42-L45 WeakPolarHBondContact O-CB 3.38Å; H42-L45 PolarHBondContact O-N 2.9Å; I43-L45 VanDerWaalsContact C-N 3.3Å; I43-L45 PolarHBondContact O-N 2.91Å; L45-T52 VanDerWaalsContact O-CA 3.22Å; L45-T52 WeakPolarHBondContact O-CA 3.43Å; L45-A53 PolarHBondContact O-N 3.27Å
46S88.8Confident87.7Confident55 Ų5542.6 Ų42.639%0.38526%0.263SS..BIsolated β-bridgetrans-132.6160.8177.567.20000112.5N44 L51N44-S46 PolarHBondContact O-N 3.35Å; S46-L51 CarbonylContact C-O 3.44Å; S46-L51 VanDerWaalsContact CA-O 3.24Å; S46-L51 WeakPolarHBondContact CA-O 3.49Å; S46-L51 WeakPolarHBondContact CB-O 3.4Å
47N85.8Confident88.1Confident52 Ų5241.9 Ų41.928%0.27826%0.26SS..  trans-83.4-179.6172.574.79.9000112.1L22 I49 G50 L51L22-N47 HydrophobicContact CD1-CB 3.99Å; N47-I49 PolarHBondContact O-N 3.34Å; N47-I49 WeakPolarHBondContact OD1-CB 3.48Å; N47-I49 PolarHBondContact OD1-N 2.84Å; N47-G50 PolarHBondContact O-N 3.34Å; N47-L51 PolarHBondContact N-O 2.95Å; N47-L51 WeakPolarHBondContact OD1-CB 3.41Å; N47-L51 PolarHBondContact OD1-N 3.44Å; N47-L51 VanDerWaalsContact OD1-N 3.12Å
48S84.1Confident88.5Confident93 Ų9340.8 Ų40.865%0.6525%0.254SS*.THydrogen-bonded Turntrans-57.3-12.9-179.552.40000116.2K81S48-K81 WeakPolarHBondContact O-CD 3.19Å; S48-K81 WeakPolarHBondContact O-CE 3.22Å; S48-K81 PolarHBondContact O-NZ 3.3Å; S48-K81 VanDerWaalsContact O-NZ 3.08Å
49I83.5Confident88.7Confident93 Ų9340.8 Ų40.848%0.47725%0.248SC..THydrogen-bonded Turntrans-98.9-4.3178.3-43.9178.3000111.3N47 L51 K81N47-I49 PolarHBondContact O-N 3.34Å; N47-I49 WeakPolarHBondContact OD1-CB 3.48Å; N47-I49 PolarHBondContact OD1-N 2.84Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 HydrophobicContact CB-CD1 4.18Å; I49-L51 HydrophobicContact CB-CG 4.26Å; I49-L51 HydrophobicContact CD1-CD1 4.27Å; I49-L51 HydrophobicContact CG2-CD1 4.39Å; I49-L51 HydrophobicContact CG2-CG 4.46Å; I49-K81 WeakPolarHBondContact O-CG 3.39Å; I49-K81 PolarHBondContact O-N 2.74Å
50G85.7Confident89.2Confident10 Ų1039.5 Ų39.510%0.10323%0.228CC..  trans79.414.7-171.500000113.5N47 T52 H55N47-G50 PolarHBondContact O-N 3.34Å; G50-T52 PolarHBondContact O-N 2.74Å; G50-H55 PolarHBondContact O-ND1 3.34Å
51L89.2Confident89.7Confident26 Ų2637.5 Ų37.514%0.13621%0.208CC..  trans-78.1106.2174.2-62.1162.9000108.8S46 N47 I49 H55 L56 T80 I89S46-L51 CarbonylContact C-O 3.44Å; S46-L51 VanDerWaalsContact CA-O 3.24Å; S46-L51 WeakPolarHBondContact CA-O 3.49Å; S46-L51 WeakPolarHBondContact CB-O 3.4Å; N47-L51 PolarHBondContact N-O 2.95Å; N47-L51 WeakPolarHBondContact OD1-CB 3.41Å; N47-L51 PolarHBondContact OD1-N 3.44Å; N47-L51 VanDerWaalsContact OD1-N 3.12Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 HydrophobicContact CB-CD1 4.18Å; I49-L51 HydrophobicContact CB-CG 4.26Å; I49-L51 HydrophobicContact CD1-CD1 4.27Å; I49-L51 HydrophobicContact CG2-CD1 4.39Å; I49-L51 HydrophobicContact CG2-CG 4.46Å; L51-H55 HydrophobicContact CB-CB 3.98Å; L51-H55 HydrophobicContact CD2-CB 3.72Å; L51-H55 HydrophobicContact CG-CB 4.48Å; L51-L56 HydrophobicContact CB-CD2 3.92Å; L51-L56 HydrophobicContact CB-CG 4.09Å; L51-L56 HydrophobicContact CD1-CD2 4.09Å; L51-T80 HydrophobicContact CD2-CG2 3.56Å; L51-T80 HydrophobicContact CG-CG2 4.18Å; L51-I89 HydrophobicContact CD2-CD1 3.73Å
52T92.6Very high90.2Very high7 Ų740.8 Ų40.84%0.04322%0.218CC..BIsolated β-bridgetrans-68.4170.9172.158.40000111.6L45 G50 L54 H55 L56 A78L45-T52 VanDerWaalsContact O-CA 3.22Å; L45-T52 WeakPolarHBondContact O-CA 3.43Å; G50-T52 PolarHBondContact O-N 2.74Å; T52-L54 PolarHBondContact O-N 3.4Å; T52-L54 PolarHBondContact OG1-N 2.73Å; T52-H55 PolarHBondContact N-ND1 3.48Å; T52-H55 PolarHBondContact O-N 3.13Å; T52-H55 VanDerWaalsContact O-N 3.12Å; T52-H55 PolarHBondContact OG1-N 3.21Å; T52-H55 PolarHBondContact OG1-ND1 2.91Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 3.14Å; T52-A78 HydrophobicContact CG2-CB 4.41Å
53A91.8Very high90.5Very high0 Ų037.2 Ų37.20%021%0.205CC..Hα-helixtrans-51-40.5165.600000112F21 L22 A25 L45 L56 A57 L69F21-A53 HydrophobicContact CD1-CB 4.29Å; F21-A53 HydrophobicContact CE1-CB 3.48Å; F21-A53 VanDerWaalsContact CE1-CB 3.48Å; F21-A53 HydrophobicContact CE2-CB 4.44Å; F21-A53 HydrophobicContact CZ-CB 3.55Å; L22-A53 HydrophobicContact CD2-CB 4.19Å; A25-A53 HydrophobicContact CB-CB 3.7Å; L45-A53 PolarHBondContact O-N 3.27Å; A53-L56 PolarHBondContact O-N 3.48Å; A53-A57 VanDerWaalsContact O-CB 3.26Å; A53-A57 WeakPolarHBondContact O-CB 3.11Å; A53-A57 PolarHBondContact O-N 2.98Å; A53-L69 HydrophobicContact CB-CD1 3.92Å; A53-L69 HydrophobicContact CB-CD2 4.17Å
54L94.6Very high90.6Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-68.7-40.5176.5-17266.7000112.3T52 L56 A57 S58 V66 L69 L70 A74 D75 F76 A86 L102T52-L54 PolarHBondContact O-N 3.4Å; T52-L54 PolarHBondContact OG1-N 2.73Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.99Å; L54-A57 PolarHBondContact O-N 3.29Å; L54-S58 WeakPolarHBondContact O-CB 3.14Å; L54-S58 PolarHBondContact O-N 3.49Å; L54-S58 PolarHBondContact O-OG 2.92Å; L54-V66 HydrophobicContact CD1-CB 4.27Å; L54-V66 HydrophobicContact CD1-CG1 3.99Å; L54-V66 HydrophobicContact CD1-CG2 4.27Å; L54-L69 HydrophobicContact CB-CD1 4.26Å; L54-L69 HydrophobicContact CD1-CB 4.13Å; L54-L69 HydrophobicContact CD1-CD1 4.31Å; L54-L70 HydrophobicContact CD1-CD2 4.33Å; L54-L70 HydrophobicContact CD1-CG 4.14Å; L54-L70 HydrophobicContact CD2-CD2 3.92Å; L54-A74 HydrophobicContact CB-CB 4.3Å; L54-A74 HydrophobicContact CD2-CB 4.16Å; L54-D75 WeakPolarHBondContact CD2-O 3.47Å; L54-F76 HydrophobicContact CD2-CB 4.2Å; L54-A86 HydrophobicContact CD2-CB 4.28Å; L54-A86 HydrophobicContact CG-CB 4.26Å; L54-L102 HydrophobicContact CD2-CD2 4.29Å
55H94.1Very high90.8Very high1 Ų140.7 Ų40.71%0.00522%0.219CC..Hα-helixtrans-60.6-42.5173.3-73.7147.2000112.7G50 L51 T52 S58 K59 A78 T85 A86 I89G50-H55 PolarHBondContact O-ND1 3.34Å; L51-H55 HydrophobicContact CB-CB 3.98Å; L51-H55 HydrophobicContact CD2-CB 3.72Å; L51-H55 HydrophobicContact CG-CB 4.48Å; T52-H55 PolarHBondContact N-ND1 3.48Å; T52-H55 PolarHBondContact O-N 3.13Å; T52-H55 VanDerWaalsContact O-N 3.12Å; T52-H55 PolarHBondContact OG1-N 3.21Å; T52-H55 PolarHBondContact OG1-ND1 2.91Å; H55-S58 PolarHBondContact O-N 3.41Å; H55-K59 WeakPolarHBondContact O-CB 3.49Å; H55-K59 PolarHBondContact O-N 3Å; H55-A78 PolarHBondContact CE1-O 3.46Å; H55-A78 PolarHBondContact NE2-O 2.96Å; H55-T85 VanDerWaalsContact NE2-C 3.34Å; H55-A86 PolarHBondContact CD2-N 3.47Å; H55-A86 VanDerWaalsContact CD2-N 3.33Å; H55-A86 PolarHBondContact NE2-N 2.7Å; H55-A86 VanDerWaalsContact NE2-N 3.15Å; H55-I89 HydrophobicContact CB-CD1 4.2Å
56L92.2Very high91.1Very high13 Ų1339.2 Ų39.27%0.06821%0.211CC..Hα-helixtrans-70.3-43.3179.4-65.9173.1000111.6L22 R26 L51 T52 A53 L54 S58 K59 E60L22-L56 HydrophobicContact CB-CD1 3.81Å; L22-L56 HydrophobicContact CD2-CD1 4.34Å; R26-L56 HydrophobicContact CB-CB 4.05Å; R26-L56 HydrophobicContact CB-CD1 4.49Å; R26-L56 HydrophobicContact CG-CB 4.32Å; L51-L56 HydrophobicContact CB-CD2 3.92Å; L51-L56 HydrophobicContact CB-CG 4.09Å; L51-L56 HydrophobicContact CD1-CD2 4.09Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.48Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.99Å; L56-S58 VanDerWaalsContact C-N 3.32Å; L56-S58 PolarHBondContact O-N 2.91Å; L56-K59 PolarHBondContact O-N 3.34Å; L56-E60 VanDerWaalsContact O-CG 3.28Å; L56-E60 WeakPolarHBondContact O-CG 3.47Å; L56-E60 PolarHBondContact O-N 3.12Å
57A94.2Very high91.3Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-60.5-41.7173.300000111.5A53 L54 E60 G61 R62 V65 V66 L69A53-A57 VanDerWaalsContact O-CB 3.26Å; A53-A57 WeakPolarHBondContact O-CB 3.11Å; A53-A57 PolarHBondContact O-N 2.98Å; L54-A57 PolarHBondContact O-N 3.29Å; A57-E60 PolarHBondContact O-N 2.95Å; A57-G61 PolarHBondContact O-N 3.27Å; A57-G61 VanDerWaalsContact O-N 3.15Å; A57-R62 HydrophobicContact CB-CB 4.07Å; A57-R62 PolarHBondContact O-N 3.38Å; A57-V65 HydrophobicContact CB-CB 4.29Å; A57-V65 HydrophobicContact CB-CG1 3.83Å; A57-V66 HydrophobicContact CB-CG2 3.72Å; A57-L69 HydrophobicContact CB-CD1 4.25Å
58S94.2Very high91.6Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-72.6-31.9179-67.80000114.1L54 H55 L56 H95 V98L54-S58 WeakPolarHBondContact O-CB 3.14Å; L54-S58 PolarHBondContact O-N 3.49Å; L54-S58 PolarHBondContact O-OG 2.92Å; H55-S58 PolarHBondContact O-N 3.41Å; L56-S58 VanDerWaalsContact C-N 3.32Å; L56-S58 PolarHBondContact O-N 2.91Å; S58-H95 PolarHBondContact O-CD2 2.89Å; S58-V98 WeakPolarHBondContact OG-CG1 3.2Å
59K92Very high92Very high113 Ų11333.7 Ų33.749%0.49117%0.169SC..Hα-helixtrans-68-36.1172.7-170.8174.7177.7177.40112.3H55 L56 I89 H95H55-K59 WeakPolarHBondContact O-CB 3.49Å; H55-K59 PolarHBondContact O-N 3Å; L56-K59 PolarHBondContact O-N 3.34Å; K59-I89 HydrophobicContact CB-CG2 3.61Å; K59-I89 HydrophobicContact CG-CG2 3.96Å; K59-H95 PolarHBondContact O-CD2 3.15Å; K59-H95 PolarHBondContact O-NE2 2.94Å
60E92.7Very high92.4Very high53 Ų5330.4 Ų30.425%0.24815%0.152CC..THydrogen-bonded Turntrans-99.311.9-174-54-75.5171.600112.8R26 L56 A57 R62R26-E60 HydrophobicContact CG-CG 3.64Å; R26-E60 IonicContact CZ-OE1 2.72Å; R26-E60 IonicContact NE-OE1 2.74Å; R26-E60 PolarHBondContact NE-OE1 2.96Å; R26-E60 IonicContact NH2-OE1 3.18Å; R26-E60 PolarHBondContact NH2-OE1 2.72Å; L56-E60 VanDerWaalsContact O-CG 3.28Å; L56-E60 WeakPolarHBondContact O-CG 3.47Å; L56-E60 PolarHBondContact O-N 3.12Å; A57-E60 PolarHBondContact O-N 2.95Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 HydrophobicContact CB-CG 3.97Å; E60-R62 WeakPolarHBondContact O-CD 3.44Å; E60-R62 PolarHBondContact O-N 2.9Å; E60-R62 PolarHBondContact O-NH1 2.68Å
61G91.7Very high92.7Very high23 Ų2338.2 Ų38.224%0.23718%0.178CC..THydrogen-bonded Turntrans65.925.7175.600000115.2A57 V63A57-G61 PolarHBondContact O-N 3.27Å; A57-G61 VanDerWaalsContact O-N 3.15Å; G61-V63 VanDerWaalsContact C-N 3.27Å; G61-V63 PolarHBondContact O-N 3.25Å
62R94.3Very high92.7Very high92 Ų9241.6 Ų41.635%0.34719%0.189SC..  trans-80.162.7-171.6-51.4-55.8-174.1-151-5.4112.9R26 A27 A57 E60 H64 V65 V66R26-R62 PolarHBondContact O-NE 2.97Å; R26-R62 PolarHBondContact O-NH2 2.73Å; A27-R62 PolarHBondContact O-NE 3.44Å; A57-R62 HydrophobicContact CB-CB 4.07Å; A57-R62 PolarHBondContact O-N 3.38Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 HydrophobicContact CB-CG 3.97Å; E60-R62 WeakPolarHBondContact O-CD 3.44Å; E60-R62 PolarHBondContact O-N 2.9Å; E60-R62 PolarHBondContact O-NH1 2.68Å; R62-H64 VanDerWaalsContact C-N 3.32Å; R62-H64 PolarHBondContact O-N 3.45Å; R62-H64 VanDerWaalsContact O-N 3.08Å; R62-V65 HydrophobicContact CB-CB 4.07Å; R62-V65 WeakPolarHBondContact O-CA 3.43Å; R62-V65 PolarHBondContact O-N 2.9Å; R62-V66 PolarHBondContact O-N 3.44Å
63V93.1Very high92.6Very high52 Ų5243.7 Ų43.732%0.31521%0.212SC..Hα-helixtrans-39.1-51.3-174.8-176.20000114G61 V65 V66 D67 E97 V98 L101G61-V63 VanDerWaalsContact C-N 3.27Å; G61-V63 PolarHBondContact O-N 3.25Å; V63-V65 PolarHBondContact O-N 3.47Å; V63-V66 WeakPolarHBondContact O-CB 3.17Å; V63-V66 PolarHBondContact O-N 3.19Å; V63-D67 WeakPolarHBondContact O-CB 3.26Å; V63-D67 PolarHBondContact O-N 3.48Å; V63-E97 HydrophobicContact CG2-CB 4.19Å; V63-V98 HydrophobicContact CG2-CG2 4.22Å; V63-L101 HydrophobicContact CG1-CD1 3.66Å
64H91.9Very high92.4Very high138 Ų13844 Ų4464%0.63922%0.215SC*.Hα-helixtrans-69.9-29.3-178.5-60.9-52.9000114.7L30 R62 E68L30-H64 HydrophobicContact CD2-CB 4.47Å; R62-H64 VanDerWaalsContact C-N 3.32Å; R62-H64 PolarHBondContact O-N 3.45Å; R62-H64 VanDerWaalsContact O-N 3.08Å; H64-E68 PolarHBondContact O-N 3.42Å; H64-E68 VanDerWaalsContact O-N 3.12Å
65V92.6Very high92.2Very high2 Ų247.4 Ų47.41%0.01223%0.233CC..Hα-helixtrans-78.1-38.1173.81730000110.1A25 L30 V33 A57 R62 V63 L69A25-V65 HydrophobicContact CB-CG1 4.29Å; L30-V65 HydrophobicContact CB-CG2 4.15Å; L30-V65 HydrophobicContact CD1-CG2 4.29Å; V33-V65 HydrophobicContact CG1-CG1 4.47Å; V33-V65 HydrophobicContact CG2-CG1 4.21Å; A57-V65 HydrophobicContact CB-CB 4.29Å; A57-V65 HydrophobicContact CB-CG1 3.83Å; R62-V65 HydrophobicContact CB-CB 4.07Å; R62-V65 WeakPolarHBondContact O-CA 3.43Å; R62-V65 PolarHBondContact O-N 2.9Å; V63-V65 PolarHBondContact O-N 3.47Å; V65-L69 HydrophobicContact CG1-CD1 3.71Å; V65-L69 HydrophobicContact CG1-CG 4.13Å; V65-L69 WeakPolarHBondContact O-CB 3.37Å; V65-L69 WeakPolarHBondContact O-CD1 3.44Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.15Å
66V93.6Very high92Very high0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-56.6-51.2170.7169.20000110.3L54 A57 R62 V63 L69 L70 V98 L101L54-V66 HydrophobicContact CD1-CB 4.27Å; L54-V66 HydrophobicContact CD1-CG1 3.99Å; L54-V66 HydrophobicContact CD1-CG2 4.27Å; A57-V66 HydrophobicContact CB-CG2 3.72Å; R62-V66 PolarHBondContact O-N 3.44Å; V63-V66 WeakPolarHBondContact O-CB 3.17Å; V63-V66 PolarHBondContact O-N 3.19Å; V66-L69 PolarHBondContact O-N 3.19Å; V66-L70 HydrophobicContact CG1-CD1 3.61Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.41Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.8Å; V66-V98 HydrophobicContact CG1-CG1 4.35Å; V66-V98 HydrophobicContact CG2-CG1 4.24Å; V66-V98 HydrophobicContact CG2-CG2 4.28Å; V66-L101 HydrophobicContact CG1-CB 4.45Å; V66-L101 HydrophobicContact CG1-CD1 4.25Å
67D93.5Very high91.9Very high41 Ų4151.3 Ų51.322%0.21925%0.251CS..Hα-helixtrans-59.4-49.9178.9-176.726.5000112.9V63 L69 L70 R71 L101V63-D67 WeakPolarHBondContact O-CB 3.26Å; V63-D67 PolarHBondContact O-N 3.48Å; D67-L69 PolarHBondContact O-N 2.92Å; D67-L70 PolarHBondContact O-N 3.43Å; D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.28Å; D67-R71 PolarHBondContact O-N 3.02Å; D67-R71 IonicContact OD1-CZ 2.73Å; D67-R71 VanDerWaalsContact OD1-CZ 3.24Å; D67-R71 IonicContact OD1-NE 2.74Å; D67-R71 PolarHBondContact OD1-NE 3.49Å; D67-R71 IonicContact OD1-NH2 3.37Å; D67-R71 PolarHBondContact OD1-NH2 3.46Å; D67-R71 IonicContact OD2-CZ 3.24Å; D67-R71 IonicContact OD2-NE 2.73Å; D67-R71 IonicContact OD2-NH2 2.96Å; D67-R71 PolarHBondContact OD2-NH2 2.93Å; D67-L101 HydrophobicContact CB-CD1 4.3Å
68E92.3Very high91.7Very high43 Ų4351.8 Ų51.820%0.20126%0.255CS..Hα-helixtrans-65.6-36.8176.8-177.570.517900112.8L30 V34 H64 R72L30-E68 HydrophobicContact CD1-CB 3.58Å; L30-E68 HydrophobicContact CD1-CG 3.77Å; V34-E68 HydrophobicContact CG2-CG 3.99Å; H64-E68 PolarHBondContact O-N 3.42Å; H64-E68 VanDerWaalsContact O-N 3.12Å; E68-R72 WeakPolarHBondContact O-CB 3.33Å; E68-R72 WeakPolarHBondContact O-CG 3.28Å; E68-R72 PolarHBondContact O-N 3.37Å; E68-R72 VanDerWaalsContact O-N 3.14Å; E68-R72 IonicContact OE1-CZ 2.65Å; E68-R72 IonicContact OE1-NE 2.78Å; E68-R72 PolarHBondContact OE1-NE 2.69Å; E68-R72 IonicContact OE1-NH2 3.2Å; E68-R72 PolarHBondContact OE1-NH2 2.71Å
69L92Very high91.5Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-64.5-47.6175.9-75.7172.8000110.9F21 V33 L37 I43 A53 L54 A57 V65 V66 D67 R71 R72 G73 A74F21-L69 HydrophobicContact CZ-CD2 4.08Å; V33-L69 HydrophobicContact CG1-CD2 4.38Å; L37-L69 HydrophobicContact CD1-CD2 4.3Å; I43-L69 HydrophobicContact CD1-CD2 3.89Å; I43-L69 WeakPolarHBondContact CD1-O 3.47Å; I43-L69 HydrophobicContact CG1-CD2 3.61Å; A53-L69 HydrophobicContact CB-CD1 3.92Å; A53-L69 HydrophobicContact CB-CD2 4.17Å; L54-L69 HydrophobicContact CB-CD1 4.26Å; L54-L69 HydrophobicContact CD1-CB 4.13Å; L54-L69 HydrophobicContact CD1-CD1 4.31Å; A57-L69 HydrophobicContact CB-CD1 4.25Å; V65-L69 HydrophobicContact CG1-CD1 3.71Å; V65-L69 HydrophobicContact CG1-CG 4.13Å; V65-L69 WeakPolarHBondContact O-CB 3.37Å; V65-L69 WeakPolarHBondContact O-CD1 3.44Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.15Å; V66-L69 PolarHBondContact O-N 3.19Å; D67-L69 PolarHBondContact O-N 2.92Å; L69-R71 PolarHBondContact O-N 3.42Å; L69-R72 CarbonylContact O-C 3.5Å; L69-R72 PolarHBondContact O-N 2.71Å; L69-R72 VanDerWaalsContact O-N 3.13Å; L69-G73 PolarHBondContact O-N 2.87Å; L69-A74 HydrophobicContact CB-CB 3.76Å; L69-A74 WeakPolarHBondContact O-CB 3.41Å; L69-A74 PolarHBondContact O-N 3.18Å
70L92.5Very high91.5Very high24 Ų2451 Ų5113%0.12626%0.261CS..Hα-helixtrans-60.1-45.6177.3-69.4165.4000111.4L54 V66 D67 R72 G73 F76 L101 L102L54-L70 HydrophobicContact CD1-CD2 4.33Å; L54-L70 HydrophobicContact CD1-CG 4.14Å; L54-L70 HydrophobicContact CD2-CD2 3.92Å; V66-L70 HydrophobicContact CG1-CD1 3.61Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.41Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.8Å; D67-L70 PolarHBondContact O-N 3.43Å; L70-R72 PolarHBondContact O-N 2.96Å; L70-G73 PolarHBondContact O-N 3.41Å; L70-F76 HydrophobicContact CD2-CB 3.79Å; L70-F76 HydrophobicContact CD2-CD1 4.04Å; L70-F76 HydrophobicContact CD2-CG 4.41Å; L70-L101 HydrophobicContact CD1-CB 4.5Å; L70-L102 HydrophobicContact CD1-CD2 4.26Å; L70-L102 HydrophobicContact CD2-CD2 4.14Å
71R91Very high91.2Very high175 Ų17551.5 Ų51.566%0.6626%0.263SS*.Hα-helixtrans-60-27.3175.6-71.7171.9-166.8-155.86.8113.9D67 L69D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.28Å; D67-R71 PolarHBondContact O-N 3.02Å; D67-R71 IonicContact OD1-CZ 2.73Å; D67-R71 VanDerWaalsContact OD1-CZ 3.24Å; D67-R71 IonicContact OD1-NE 2.74Å; D67-R71 PolarHBondContact OD1-NE 3.49Å; D67-R71 IonicContact OD1-NH2 3.37Å; D67-R71 PolarHBondContact OD1-NH2 3.46Å; D67-R71 IonicContact OD2-CZ 3.24Å; D67-R71 IonicContact OD2-NE 2.73Å; D67-R71 IonicContact OD2-NH2 2.96Å; D67-R71 PolarHBondContact OD2-NH2 2.93Å; L69-R71 PolarHBondContact O-N 3.42Å
72R90.5Very high90.9Very high96 Ų9656.2 Ų56.236%0.36228%0.277SS..THydrogen-bonded Turntrans-93.68.8176.8-70.6-176.7-175.7-1271.1113.9N38 I43 E68 L69 L70N38-R72 PolarHBondContact OD1-NH1 3.29Å; I43-R72 HydrophobicContact CD1-CB 3.4Å; I43-R72 VanDerWaalsContact CD1-CB 3.4Å; E68-R72 WeakPolarHBondContact O-CB 3.33Å; E68-R72 WeakPolarHBondContact O-CG 3.28Å; E68-R72 PolarHBondContact O-N 3.37Å; E68-R72 VanDerWaalsContact O-N 3.14Å; E68-R72 IonicContact OE1-CZ 2.65Å; E68-R72 IonicContact OE1-NE 2.78Å; E68-R72 PolarHBondContact OE1-NE 2.69Å; E68-R72 IonicContact OE1-NH2 3.2Å; E68-R72 PolarHBondContact OE1-NH2 2.71Å; L69-R72 CarbonylContact O-C 3.5Å; L69-R72 PolarHBondContact O-N 2.71Å; L69-R72 VanDerWaalsContact O-N 3.13Å; L70-R72 PolarHBondContact O-N 2.96Å
73G88.7Confident90.7Very high51 Ų5152.6 Ų52.653%0.52627%0.268SS..THydrogen-bonded Turntrans82.630.8176.700000114.5L69 L70L69-G73 PolarHBondContact O-N 2.87Å; L70-G73 PolarHBondContact O-N 3.41Å
74A88.7Confident90.7Very high6 Ų651.2 Ų51.25%0.0526%0.259CS..  trans-64.9135.2164.100000110.3I43 N44 L54 L69 F76I43-A74 HydrophobicContact CD1-CB 3.96Å; I43-A74 HydrophobicContact CG1-CB 3.99Å; N44-A74 VanDerWaalsContact OD1-CA 3.28Å; N44-A74 WeakPolarHBondContact OD1-CA 3.48Å; L54-A74 HydrophobicContact CB-CB 4.3Å; L54-A74 HydrophobicContact CD2-CB 4.16Å; L69-A74 HydrophobicContact CB-CB 3.76Å; L69-A74 WeakPolarHBondContact O-CB 3.41Å; L69-A74 PolarHBondContact O-N 3.18Å; A74-F76 PolarHBondContact O-N 2.98Å
75D90.2Very high90.8Very high73 Ų7344.7 Ų44.739%0.3923%0.229SC..  trans-76116.4-179.6176.86.8000110.3N44 L54 D77 A78N44-D75 PolarHBondContact OD1-N 3.03Å; L54-D75 WeakPolarHBondContact CD2-O 3.47Å; D75-D77 PolarHBondContact OD1-N 3.23Å; D75-A78 HydrophobicContact CB-CB 3.99Å; D75-A78 VanDerWaalsContact CG-N 3.3Å; D75-A78 WeakPolarHBondContact O-CB 3.24Å; D75-A78 PolarHBondContact OD1-N 3.29Å; D75-A78 WeakPolarHBondContact OD2-CA 3.22Å; D75-A78 WeakPolarHBondContact OD2-CB 3.16Å; D75-A78 PolarHBondContact OD2-N 2.84Å
76F89.7Confident90.9Very high58 Ų5844.6 Ų44.625%0.25423%0.228SC..SBendtrans-81-23.5-177.648.8-109.1000114.4L54 L70 A74 L102 S105 A107L54-F76 HydrophobicContact CD2-CB 4.2Å; L70-F76 HydrophobicContact CD2-CB 3.79Å; L70-F76 HydrophobicContact CD2-CD1 4.04Å; L70-F76 HydrophobicContact CD2-CG 4.41Å; A74-F76 PolarHBondContact O-N 2.98Å; F76-L102 HydrophobicContact CB-CD2 3.84Å; F76-S105 WeakPolarHBondContact CE1-O 3.48Å; F76-S105 WeakPolarHBondContact CZ-O 3.45Å; F76-A107 HydrophobicContact CB-CB 4.28Å; F76-A107 VanDerWaalsContact CD2-CA 3.45Å; F76-A107 HydrophobicContact CD2-CB 3.67Å; F76-A107 HydrophobicContact CE2-CB 4.37Å; F76-A107 HydrophobicContact CG-CB 4.24Å
77D91Very high91Very high37 Ų3744.6 Ų44.620%0.19823%0.228CC..SBendtrans-105.47.6177.3-82.6-29.9000112.8D75 P79 T85 N108D75-D77 PolarHBondContact OD1-N 3.23Å; D77-P79 WeakPolarHBondContact O-CD 3.38Å; D77-T85 VanDerWaalsContact O-CG2 3.31Å; D77-T85 WeakPolarHBondContact O-CG2 3.49Å; D77-N108 PolarHBondContact OD1-N 3.29Å; D77-N108 VanDerWaalsContact OD1-N 3.1Å; D77-N108 WeakPolarHBondContact OD2-CB 3.27Å; D77-N108 PolarHBondContact OD2-N 3.48Å
78A88.9Confident91.1Very high10 Ų1042.6 Ų42.68%0.08322%0.218CC..  trans-45.1123.5165.400000110.3T52 H55 D75 T85T52-A78 HydrophobicContact CG2-CB 4.41Å; H55-A78 PolarHBondContact CE1-O 3.46Å; H55-A78 PolarHBondContact NE2-O 2.96Å; D75-A78 HydrophobicContact CB-CB 3.99Å; D75-A78 VanDerWaalsContact CG-N 3.3Å; D75-A78 WeakPolarHBondContact O-CB 3.24Å; D75-A78 PolarHBondContact OD1-N 3.29Å; D75-A78 WeakPolarHBondContact OD2-CA 3.22Å; D75-A78 WeakPolarHBondContact OD2-CB 3.16Å; D75-A78 PolarHBondContact OD2-N 2.84Å; A78-T85 WeakPolarHBondContact O-CA 3.48Å
79P91.6Very high91.2Very high84 Ų8441.3 Ų41.355%0.54521%0.212SC..  trans-87.9139.217832.2-32.8000111.5D77D77-P79 WeakPolarHBondContact O-CD 3.38Å
80T90.2Very high91.4Very high12 Ų1241.3 Ų41.37%0.07421%0.212CC..  trans-68.4172.9158.458.30000111.1L51 K82 G83 N84 I89L51-T80 HydrophobicContact CD2-CG2 3.56Å; L51-T80 HydrophobicContact CG-CG2 4.18Å; T80-K82 PolarHBondContact O-N 3.42Å; T80-G83 WeakPolarHBondContact O-CA 3.3Å; T80-G83 PolarHBondContact O-N 2.97Å; T80-N84 WeakPolarHBondContact CB-O 3.24Å; T80-N84 WeakPolarHBondContact CG2-O 3.45Å; T80-N84 PolarHBondContact N-O 3.37Å; T80-N84 WeakPolarHBondContact OG1-CB 3.23Å; T80-N84 PolarHBondContact OG1-N 2.94Å; T80-N84 PolarHBondContact OG1-O 3.25Å; T80-I89 HydrophobicContact CG2-CD1 3.82Å
81K86.2Confident91.5Very high65 Ų6540.2 Ų40.228%0.28321%0.206SC..THydrogen-bonded Turntrans-63.2-7.6175.3-64.6-170.8174.5-164.30115.7S48 I49 G1253S48-K81 WeakPolarHBondContact O-CD 3.19Å; S48-K81 WeakPolarHBondContact O-CE 3.22Å; S48-K81 PolarHBondContact O-NZ 3.3Å; S48-K81 VanDerWaalsContact O-NZ 3.08Å; I49-K81 WeakPolarHBondContact O-CG 3.39Å; I49-K81 PolarHBondContact O-N 2.74Å; K81-G1253 VanDerWaalsContact CD-O 3.29Å; K81-G1253 WeakPolarHBondContact CD-O 3.45Å; K81-G1253 WeakPolarHBondContact CE-O 3.36Å; K81-G1253 VanDerWaalsContact CG-O 3.3Å; K81-G1253 WeakPolarHBondContact CG-O 3.41Å
82K86.5Confident91.6Very high121 Ų12134.6 Ų34.653%0.52619%0.189SC..THydrogen-bonded Turntrans-98.96.2169-69.9-169.4176-173.50112.8T80 N84 A114T80-K82 PolarHBondContact O-N 3.42Å; K82-N84 PolarHBondContact O-N 2.99Å; K82-N84 PolarHBondContact O-OD1 3.34Å; K82-A114 WeakPolarHBondContact O-CB 3.5Å; K82-A114 PolarHBondContact O-N 2.89Å
83G89.8Confident91.7Very high16 Ų1631.9 Ų31.917%0.16519%0.187CC..SBendtrans78.5-13.4-171.400000114.7T80 T85T80-G83 WeakPolarHBondContact O-CA 3.3Å; T80-G83 PolarHBondContact O-N 2.97Å; G83-T85 PolarHBondContact O-N 2.93Å
84N92.8Very high91.9Very high24 Ų2430.7 Ų30.713%0.12818%0.175CC..  trans-63.6123.8-178.9-52.4-2.7000110.5T80 K82 H88 I89 S113T80-N84 WeakPolarHBondContact CB-O 3.24Å; T80-N84 WeakPolarHBondContact CG2-O 3.45Å; T80-N84 PolarHBondContact N-O 3.37Å; T80-N84 WeakPolarHBondContact OG1-CB 3.23Å; T80-N84 PolarHBondContact OG1-N 2.94Å; T80-N84 PolarHBondContact OG1-O 3.25Å; K82-N84 PolarHBondContact O-N 2.99Å; K82-N84 PolarHBondContact O-OD1 3.34Å; N84-H88 HydrophobicContact CB-CB 3.79Å; N84-I89 HydrophobicContact CB-CG1 4.16Å; N84-S113 WeakPolarHBondContact OD1-CB 3.16Å
85T94.8Very high92.2Very high0 Ų033.1 Ų33.10%019%0.185CC..  trans-85.4178.1172.466.80000112.3H55 D77 A78 G83 L87 H88 I89 R111H55-T85 VanDerWaalsContact NE2-C 3.34Å; D77-T85 VanDerWaalsContact O-CG2 3.31Å; D77-T85 WeakPolarHBondContact O-CG2 3.49Å; A78-T85 WeakPolarHBondContact O-CA 3.48Å; G83-T85 PolarHBondContact O-N 2.93Å; T85-L87 PolarHBondContact O-N 2.86Å; T85-L87 PolarHBondContact OG1-N 3.27Å; T85-H88 PolarHBondContact N-ND1 3.12Å; T85-H88 VanDerWaalsContact N-ND1 3.19Å; T85-H88 WeakPolarHBondContact O-CB 3.32Å; T85-H88 PolarHBondContact O-N 2.98Å; T85-H88 VanDerWaalsContact O-N 3.13Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 2.95Å; T85-I89 VanDerWaalsContact O-N 3.09Å; T85-R111 HydrophobicContact CG2-CG 4.12Å
86A94.7Very high92.4Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-56.9-33.3172.100000112.4L54 H55 S90 L102L54-A86 HydrophobicContact CD2-CB 4.28Å; L54-A86 HydrophobicContact CG-CB 4.26Å; H55-A86 PolarHBondContact CD2-N 3.47Å; H55-A86 VanDerWaalsContact CD2-N 3.33Å; H55-A86 PolarHBondContact NE2-N 2.7Å; H55-A86 VanDerWaalsContact NE2-N 3.15Å; A86-S90 WeakPolarHBondContact O-CB 3.36Å; A86-S90 PolarHBondContact O-N 3.48Å; A86-S90 PolarHBondContact O-OG 3.23Å; A86-L102 VanDerWaalsContact C-CD1 3.46Å; A86-L102 HydrophobicContact CB-CD1 3.73Å; A86-L102 HydrophobicContact CB-CD2 3.93Å; A86-L102 WeakPolarHBondContact O-CD1 3.43Å
87L96.3Very high92.5Very high0 Ų035.2 Ų35.20%019%0.19CC..Hα-helixtrans-71.1-38.7177.4-174.762.1000112T85 S90 S91 V99 L102 L103 A107 P119T85-L87 PolarHBondContact O-N 2.86Å; T85-L87 PolarHBondContact OG1-N 3.27Å; L87-S90 PolarHBondContact O-OG 2.91Å; L87-S91 WeakPolarHBondContact O-CB 3.43Å; L87-S91 PolarHBondContact O-N 3.03Å; L87-S91 PolarHBondContact O-OG 2.92Å; L87-V99 HydrophobicContact CD1-CB 4.37Å; L87-V99 HydrophobicContact CD1-CG1 3.82Å; L87-L102 HydrophobicContact CB-CD1 4.44Å; L87-L102 HydrophobicContact CD1-CB 4.29Å; L87-L103 HydrophobicContact CD1-CD1 4.44Å; L87-L103 HydrophobicContact CD1-CD2 4.15Å; L87-L103 HydrophobicContact CD1-CG 3.93Å; L87-L103 HydrophobicContact CD2-CD2 3.71Å; L87-L103 HydrophobicContact CD2-CG 4.39Å; L87-A107 HydrophobicContact CB-CB 4.38Å; L87-A107 HydrophobicContact CD2-CB 4.3Å; L87-P119 HydrophobicContact CD2-CG 4.09Å; L87-P119 HydrophobicContact CG-CB 4.19Å; L87-P119 HydrophobicContact CG-CG 4.03Å
88H95.4Very high92.7Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-61-50.8173.7-73.679.9000111.1N84 T85 S91 L92 R111 S113 F117 M122N84-H88 HydrophobicContact CB-CB 3.79Å; T85-H88 PolarHBondContact N-ND1 3.12Å; T85-H88 VanDerWaalsContact N-ND1 3.19Å; T85-H88 WeakPolarHBondContact O-CB 3.32Å; T85-H88 PolarHBondContact O-N 2.98Å; T85-H88 VanDerWaalsContact O-N 3.13Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å; H88-S91 PolarHBondContact O-N 3.03Å; H88-L92 WeakPolarHBondContact O-CB 3.45Å; H88-L92 PolarHBondContact O-N 3.2Å; H88-R111 PolarHBondContact CE1-O 3.19Å; H88-R111 PolarHBondContact NE2-O 2.95Å; H88-S113 PolarHBondContact NE2-N 3.39Å; H88-F117 PolarHBondContact NE2-O 3.13Å; H88-F117 VanDerWaalsContact NE2-O 3.08Å; H88-M122 HydrophobicContact CB-SD 3.82Å
89I94.2Very high93Very high16 Ų1633.1 Ų33.18%0.08218%0.178CC..Hα-helixtrans-66.2-42.9-174.3-66.1168.6000111.2L51 H55 K59 T80 N84 T85 S91 A93L51-I89 HydrophobicContact CD2-CD1 3.73Å; H55-I89 HydrophobicContact CB-CD1 4.2Å; K59-I89 HydrophobicContact CB-CG2 3.61Å; K59-I89 HydrophobicContact CG-CG2 3.96Å; T80-I89 HydrophobicContact CG2-CD1 3.82Å; N84-I89 HydrophobicContact CB-CG1 4.16Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 2.95Å; T85-I89 VanDerWaalsContact O-N 3.09Å; I89-S91 VanDerWaalsContact C-N 3.35Å; I89-A93 VanDerWaalsContact O-CB 3.3Å; I89-A93 WeakPolarHBondContact O-CB 3.47Å; I89-A93 PolarHBondContact O-N 2.83Å; I89-A93 VanDerWaalsContact O-N 3.13Å
90S95.1Very high93.2Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-69.3-32.2175.454.50000112.5A86 L87 G94 H95 L102A86-S90 WeakPolarHBondContact O-CB 3.36Å; A86-S90 PolarHBondContact O-N 3.48Å; A86-S90 PolarHBondContact O-OG 3.23Å; L87-S90 PolarHBondContact O-OG 2.91Å; S90-G94 PolarHBondContact O-N 3.14Å; S90-H95 PolarHBondContact O-N 3.34Å; S90-L102 WeakPolarHBondContact OG-CD1 3.38Å
91S95.8Very high93.3Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-70-46.4176.2-62.90000112.9L87 H88 I89 A93 G94L87-S91 WeakPolarHBondContact O-CB 3.43Å; L87-S91 PolarHBondContact O-N 3.03Å; L87-S91 PolarHBondContact O-OG 2.92Å; H88-S91 PolarHBondContact O-N 3.03Å; I89-S91 VanDerWaalsContact C-N 3.35Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.22Å; S91-G94 PolarHBondContact O-N 2.66Å
92L93.3Very high93.7Very high57 Ų5730.3 Ų30.330%0.29816%0.157SC..Hα-helixtrans-57.7-46.7174.6-170.179.2000111.1H88 G94 M122 E126 R128H88-L92 WeakPolarHBondContact O-CB 3.45Å; H88-L92 PolarHBondContact O-N 3.2Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 2.93Å; L92-M122 HydrophobicContact CB-CB 4.12Å; L92-M122 HydrophobicContact CB-SD 4.21Å; L92-M122 HydrophobicContact CD1-CB 3.69Å; L92-M122 HydrophobicContact CD1-CG 3.94Å; L92-M122 HydrophobicContact CD1-SD 4.17Å; L92-E126 HydrophobicContact CD1-CG 3.41Å; L92-E126 VanDerWaalsContact CD1-CG 3.41Å; L92-E126 HydrophobicContact CG-CG 3.88Å; L92-R128 PolarHBondContact O-NE 3.38Å
93A92.1Very high94Very high39 Ų3925.4 Ų25.432%0.32214%0.137SC..Hα-helixtrans-75.7-9.8179.800000114.6I89 S91 H95I89-A93 VanDerWaalsContact O-CB 3.3Å; I89-A93 WeakPolarHBondContact O-CB 3.47Å; I89-A93 PolarHBondContact O-N 2.83Å; I89-A93 VanDerWaalsContact O-N 3.13Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.22Å; A93-H95 VanDerWaalsContact CB-CD2 3.48Å; A93-H95 WeakPolarHBondContact CB-CD2 3.32Å
94G92.4Very high94.2Very high27 Ų2728.9 Ų28.928%0.27815%0.152SC..THydrogen-bonded Turntrans78.916.6178.400000116S90 S91 L92 Y96S90-G94 PolarHBondContact O-N 3.14Å; S91-G94 PolarHBondContact O-N 2.66Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 2.93Å; G94-Y96 VanDerWaalsContact C-N 3.31Å; G94-Y96 PolarHBondContact O-N 3.35Å
95H94.7Very high94Very high57 Ų5730.1 Ų30.126%0.26416%0.162SC..  trans-7773.3-174.5-68.8-54.5000112.7S58 K59 S90 A93 E97 V98 V99S58-H95 PolarHBondContact O-CD2 2.89Å; K59-H95 PolarHBondContact O-CD2 3.15Å; K59-H95 PolarHBondContact O-NE2 2.94Å; S90-H95 PolarHBondContact O-N 3.34Å; A93-H95 VanDerWaalsContact CB-CD2 3.48Å; A93-H95 WeakPolarHBondContact CB-CD2 3.32Å; H95-E97 PolarHBondContact O-N 3.3Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.16Å; H95-V98 WeakPolarHBondContact O-CA 3.47Å; H95-V98 WeakPolarHBondContact O-CB 3.22Å; H95-V98 PolarHBondContact O-N 2.85Å; H95-V99 WeakPolarHBondContact O-CG2 3.1Å; H95-V99 PolarHBondContact O-N 3.17Å
96Y94.3Very high93.8Very high90 Ų9032.6 Ų32.635%0.35319%0.188SC..Hα-helixtrans-44.3-50.4-173.1-178.7-90.5000115.2G94 V98 V99 K100 N130 L134G94-Y96 VanDerWaalsContact C-N 3.31Å; G94-Y96 PolarHBondContact O-N 3.35Å; Y96-V98 VanDerWaalsContact C-N 3.33Å; Y96-V98 PolarHBondContact O-N 3.32Å; Y96-V99 PolarHBondContact O-N 3.27Å; Y96-K100 HydrophobicContact CE1-CD 4.02Å; Y96-K100 VanDerWaalsContact O-CB 3.23Å; Y96-K100 WeakPolarHBondContact O-CB 3.37Å; Y96-K100 PolarHBondContact O-N 3.03Å; Y96-N130 HydrophobicContact CD2-CB 4.27Å; Y96-L134 HydrophobicContact CD2-CB 4.49Å; Y96-L134 HydrophobicContact CD2-CD2 4.01Å; Y96-L134 HydrophobicContact CE2-CB 3.96Å; Y96-L134 HydrophobicContact CE2-CD2 3.77Å; Y96-L134 HydrophobicContact CE2-CG 4.31Å
97E93.3Very high93.7Very high85 Ų8532.9 Ų32.940%0.39719%0.19SC..Hα-helixtrans-70.6-26-179-67.5-61.3149.400113.3V63 H95 K100 L101V63-E97 HydrophobicContact CG2-CB 4.19Å; H95-E97 PolarHBondContact O-N 3.3Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.28Å; E97-K100 IonicContact OE2-NZ 3.58Å; E97-K100 PolarHBondContact OE2-NZ 3.11Å; E97-L101 WeakPolarHBondContact O-CB 3.27Å; E97-L101 WeakPolarHBondContact O-CG 3.04Å; E97-L101 PolarHBondContact O-N 3.27Å
98V94.8Very high93.5Very high2 Ų236.1 Ų36.11%0.01221%0.208CC..Hα-helixtrans-75.4-46.4172.2173.80000110.5S58 V63 V66 H95 Y96 K100 L101 L102S58-V98 WeakPolarHBondContact OG-CG1 3.2Å; V63-V98 HydrophobicContact CG2-CG2 4.22Å; V66-V98 HydrophobicContact CG1-CG1 4.35Å; V66-V98 HydrophobicContact CG2-CG1 4.24Å; V66-V98 HydrophobicContact CG2-CG2 4.28Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.16Å; H95-V98 WeakPolarHBondContact O-CA 3.47Å; H95-V98 WeakPolarHBondContact O-CB 3.22Å; H95-V98 PolarHBondContact O-N 2.85Å; Y96-V98 VanDerWaalsContact C-N 3.33Å; Y96-V98 PolarHBondContact O-N 3.32Å; V98-K100 PolarHBondContact O-N 2.99Å; V98-L101 PolarHBondContact O-N 3.5Å; V98-L102 HydrophobicContact CG1-CD1 3.82Å; V98-L102 HydrophobicContact CG1-CG 4.38Å; V98-L102 WeakPolarHBondContact O-CB 3.29Å; V98-L102 VanDerWaalsContact O-CG 3.27Å; V98-L102 WeakPolarHBondContact O-CG 3.3Å; V98-L102 PolarHBondContact O-N 2.8Å
99V95.3Very high93.4Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-53.2-47173.2172.50000109.8L87 H95 Y96 L102 L103 V131 L134 L135L87-V99 HydrophobicContact CD1-CB 4.37Å; L87-V99 HydrophobicContact CD1-CG1 3.82Å; H95-V99 WeakPolarHBondContact O-CG2 3.1Å; H95-V99 PolarHBondContact O-N 3.17Å; Y96-V99 PolarHBondContact O-N 3.27Å; V99-L102 PolarHBondContact O-N 3.39Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 3.37Å; V99-V131 HydrophobicContact CG1-CG1 4.3Å; V99-V131 HydrophobicContact CG2-CG1 4.22Å; V99-V131 HydrophobicContact CG2-CG2 4.32Å; V99-L134 HydrophobicContact CB-CD2 4.32Å; V99-L134 HydrophobicContact CG1-CD2 3.77Å; V99-L135 HydrophobicContact CG1-CD2 4.38Å
100K94.3Very high93.4Very high63 Ų6338.6 Ų38.627%0.27422%0.221SC..Hα-helixtrans-63.2-48.7177.4-179.8174.1144.9-140.40112.8Y96 E97 V98 L102 L103 D104 L134Y96-K100 HydrophobicContact CE1-CD 4.02Å; Y96-K100 VanDerWaalsContact O-CB 3.23Å; Y96-K100 WeakPolarHBondContact O-CB 3.37Å; Y96-K100 PolarHBondContact O-N 3.03Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.28Å; E97-K100 IonicContact OE2-NZ 3.58Å; E97-K100 PolarHBondContact OE2-NZ 3.11Å; V98-K100 PolarHBondContact O-N 2.99Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 2.94Å; K100-L103 PolarHBondContact O-N 2.93Å; K100-D104 VanDerWaalsContact O-CB 3.28Å; K100-D104 WeakPolarHBondContact O-CB 3.45Å; K100-D104 PolarHBondContact O-N 2.98Å; K100-L134 HydrophobicContact CB-CD2 3.99Å
101L93.5Very high93.2Very high39 Ų3942.9 Ų42.920%0.20424%0.237CC..Hα-helixtrans-58.4-40.1175.5-84173000112.9V63 V66 D67 L70 E97 V98 S105V63-L101 HydrophobicContact CG1-CD1 3.66Å; V66-L101 HydrophobicContact CG1-CB 4.45Å; V66-L101 HydrophobicContact CG1-CD1 4.25Å; D67-L101 HydrophobicContact CB-CD1 4.3Å; L70-L101 HydrophobicContact CD1-CB 4.5Å; E97-L101 WeakPolarHBondContact O-CB 3.27Å; E97-L101 WeakPolarHBondContact O-CG 3.04Å; E97-L101 PolarHBondContact O-N 3.27Å; V98-L101 PolarHBondContact O-N 3.5Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.17Å; L101-S105 PolarHBondContact O-OG 2.84Å
102L94.3Very high93Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-68.3-44.8178.1-68167.3000111.2L54 L70 F76 A86 L87 S90 V98 V99 K100 S105 G106 A107L54-L102 HydrophobicContact CD2-CD2 4.29Å; L70-L102 HydrophobicContact CD1-CD2 4.26Å; L70-L102 HydrophobicContact CD2-CD2 4.14Å; F76-L102 HydrophobicContact CB-CD2 3.84Å; A86-L102 VanDerWaalsContact C-CD1 3.46Å; A86-L102 HydrophobicContact CB-CD1 3.73Å; A86-L102 HydrophobicContact CB-CD2 3.93Å; A86-L102 WeakPolarHBondContact O-CD1 3.43Å; L87-L102 HydrophobicContact CB-CD1 4.44Å; L87-L102 HydrophobicContact CD1-CB 4.29Å; S90-L102 WeakPolarHBondContact OG-CD1 3.38Å; V98-L102 HydrophobicContact CG1-CD1 3.82Å; V98-L102 HydrophobicContact CG1-CG 4.38Å; V98-L102 WeakPolarHBondContact O-CB 3.29Å; V98-L102 VanDerWaalsContact O-CG 3.27Å; V98-L102 WeakPolarHBondContact O-CG 3.3Å; V98-L102 PolarHBondContact O-N 2.8Å; V99-L102 PolarHBondContact O-N 3.39Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 2.94Å; L102-S105 CarbonylContact O-C 3.6Å; L102-S105 PolarHBondContact O-N 2.96Å; L102-G106 PolarHBondContact O-N 2.95Å; L102-G106 VanDerWaalsContact O-N 3.11Å; L102-A107 HydrophobicContact CB-CB 3.97Å; L102-A107 VanDerWaalsContact O-CB 3.27Å; L102-A107 WeakPolarHBondContact O-CB 3.38Å; L102-A107 PolarHBondContact O-N 3.02Å
103L93.8Very high92.8Very high19 Ų1941.5 Ų41.510%0.09923%0.229CC..Hα-helixtrans-64.8-36.9174.8-69.4169.9000112.6L87 V99 K100 S105 G106 I109 L134 L135 R138L87-L103 HydrophobicContact CD1-CD1 4.44Å; L87-L103 HydrophobicContact CD1-CD2 4.15Å; L87-L103 HydrophobicContact CD1-CG 3.93Å; L87-L103 HydrophobicContact CD2-CD2 3.71Å; L87-L103 HydrophobicContact CD2-CG 4.39Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 3.37Å; K100-L103 PolarHBondContact O-N 2.93Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 3.36Å; L103-G106 PolarHBondContact O-N 3.08Å; L103-I109 HydrophobicContact CD2-CB 3.83Å; L103-I109 HydrophobicContact CD2-CD1 3.88Å; L103-I109 HydrophobicContact CD2-CG1 3.83Å; L103-L134 HydrophobicContact CD1-CD2 4.34Å; L103-L134 HydrophobicContact CD1-CG 4.19Å; L103-L135 HydrophobicContact CD1-CD2 4.15Å; L103-R138 HydrophobicContact CD1-CB 4.41Å; L103-R138 HydrophobicContact CD1-CG 4.2Å
104D92.2Very high92.6Very high89 Ų8942.2 Ų42.248%0.47624%0.235SC..Hα-helixtrans-71.6-22.5175-68.9-15.1000112.2K100 R138K100-D104 VanDerWaalsContact O-CB 3.28Å; K100-D104 WeakPolarHBondContact O-CB 3.45Å; K100-D104 PolarHBondContact O-N 2.98Å; D104-R138 IonicContact OD1-CZ 3.42Å; D104-R138 IonicContact OD1-NH1 3.35Å; D104-R138 PolarHBondContact OD1-NH1 2.84Å; D104-R138 IonicContact OD1-NH2 2.68Å; D104-R138 PolarHBondContact OD1-NH2 2.87Å; D104-R138 IonicContact OD2-NH2 3.22Å
105S89.6Confident92.3Very high50 Ų5041.5 Ų41.535%0.3523%0.225SC..Hα-helixtrans-87-8.7172.5-560000113.7F76 L101 L102 L103F76-S105 WeakPolarHBondContact CE1-O 3.48Å; F76-S105 WeakPolarHBondContact CZ-O 3.45Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.17Å; L101-S105 PolarHBondContact O-OG 2.84Å; L102-S105 CarbonylContact O-C 3.6Å; L102-S105 PolarHBondContact O-N 2.96Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 3.36Å
106G90.8Very high92.1Very high52 Ų5238.9 Ų38.954%0.53621%0.214SC..THydrogen-bonded Turntrans102.812.4176.600000116.5L102 L103L102-G106 PolarHBondContact O-N 2.95Å; L102-G106 VanDerWaalsContact O-N 3.11Å; L103-G106 PolarHBondContact O-N 3.08Å
107A91.6Very high92Very high6 Ų635.8 Ų35.85%0.0520%0.202CC..  trans-60.3137.5179.100000113F76 L87 L102 I109F76-A107 HydrophobicContact CB-CB 4.28Å; F76-A107 VanDerWaalsContact CD2-CA 3.45Å; F76-A107 HydrophobicContact CD2-CB 3.67Å; F76-A107 HydrophobicContact CE2-CB 4.37Å; F76-A107 HydrophobicContact CG-CB 4.24Å; L87-A107 HydrophobicContact CB-CB 4.38Å; L87-A107 HydrophobicContact CD2-CB 4.3Å; L102-A107 HydrophobicContact CB-CB 3.97Å; L102-A107 VanDerWaalsContact O-CB 3.27Å; L102-A107 WeakPolarHBondContact O-CB 3.38Å; L102-A107 PolarHBondContact O-N 3.02Å; A107-I109 PolarHBondContact O-N 3.13Å
108N92.5Very high92Very high68 Ų6831.8 Ų31.836%0.36418%0.184SC..  trans-71103-171.7-178.6-6000112.1D77 N110 R111D77-N108 PolarHBondContact OD1-N 3.29Å; D77-N108 VanDerWaalsContact OD1-N 3.1Å; D77-N108 WeakPolarHBondContact OD2-CB 3.27Å; D77-N108 PolarHBondContact OD2-N 3.48Å; N108-N110 PolarHBondContact O-N 2.85Å; N108-N110 VanDerWaalsContact O-N 3.14Å; N108-N110 PolarHBondContact OD1-N 3.15Å; N108-R111 HydrophobicContact CB-CB 4.08Å; N108-R111 WeakPolarHBondContact O-CB 3.22Å; N108-R111 PolarHBondContact O-N 2.88Å; N108-R111 VanDerWaalsContact O-N 3.15Å; N108-R111 PolarHBondContact OD1-N 3.09Å
109I93.4Very high92Very high21 Ų2131.7 Ų31.711%0.10818%0.183CC..THydrogen-bonded Turntrans-58-25.5-178.7-161.8168.8000115.3L103 A107 L135 R138 A140L103-I109 HydrophobicContact CD2-CB 3.83Å; L103-I109 HydrophobicContact CD2-CD1 3.88Å; L103-I109 HydrophobicContact CD2-CG1 3.83Å; A107-I109 PolarHBondContact O-N 3.13Å; I109-L135 HydrophobicContact CD1-CD2 4.08Å; I109-L135 VanDerWaalsContact CD1-O 3.28Å; I109-L135 WeakPolarHBondContact CD1-O 3.43Å; I109-L135 HydrophobicContact CG1-CD2 3.71Å; I109-R138 HydrophobicContact CD1-CB 3.44Å; I109-R138 VanDerWaalsContact CD1-CB 3.44Å; I109-R138 WeakPolarHBondContact CD1-O 3.39Å; I109-A140 HydrophobicContact CD1-CB 3.99Å; I109-A140 HydrophobicContact CG1-CB 3.94Å
110N93.5Very high91.9Very high46 Ų4631.7 Ų31.725%0.24618%0.183CC..THydrogen-bonded Turntrans-112.310.2-176.6-70.1-39.9000112.8N108 Q112 G139 A140 N141 L144N108-N110 PolarHBondContact O-N 2.85Å; N108-N110 VanDerWaalsContact O-N 3.14Å; N108-N110 PolarHBondContact OD1-N 3.15Å; N110-Q112 PolarHBondContact O-N 2.95Å; N110-G139 PolarHBondContact ND2-O 3.23Å; N110-A140 WeakPolarHBondContact OD1-CA 3.14Å; N110-N141 PolarHBondContact OD1-N 3.28Å; N110-L144 HydrophobicContact CB-CD1 4.08Å
111R91.5Very high91.9Very high90 Ų9029.4 Ų29.434%0.3417%0.173SC..  trans-58.4132172.4-163.768.6177141.6-3108.8T85 H88 N108 P119 E1958T85-R111 HydrophobicContact CG2-CG 4.12Å; H88-R111 PolarHBondContact CE1-O 3.19Å; H88-R111 PolarHBondContact NE2-O 2.95Å; N108-R111 HydrophobicContact CB-CB 4.08Å; N108-R111 WeakPolarHBondContact O-CB 3.22Å; N108-R111 PolarHBondContact O-N 2.88Å; N108-R111 VanDerWaalsContact O-N 3.15Å; N108-R111 PolarHBondContact OD1-N 3.09Å; R111-P119 WeakPolarHBondContact O-CD 3.46Å; R111-E1958 IonicContact CZ-OE1 2.74Å; R111-E1958 IonicContact NH1-OE1 3.77Å; R111-E1958 PolarHBondContact NH1-OE1 2.67Å; R111-E1958 IonicContact NH1-OE2 2.7Å; R111-E1958 PolarHBondContact NH1-OE2 3.38Å; R111-E1958 IonicContact NH2-OE1 3.17Å
112Q91.9Very high91.9Very high25 Ų2527.9 Ų27.912%0.11717%0.165CC..  trans-98.6151.6175.3-69.2176.2-114.800110.8N110 G116 F117 T118 T145 Q1959N110-Q112 PolarHBondContact O-N 2.95Å; Q112-G116 PolarHBondContact NE2-O 2.89Å; Q112-F117 CarbonylContact C-O 3.58Å; Q112-F117 VanDerWaalsContact CA-O 3.29Å; Q112-F117 WeakPolarHBondContact CA-O 3.47Å; Q112-T118 HydrophobicContact CG-CG2 3.6Å; Q112-T145 PolarHBondContact NE2-O 3.02Å; Q112-Q1959 VanDerWaalsContact CB-OE1 3.29Å; Q112-Q1959 VanDerWaalsContact OE1-OE1 3.12Å
113S90.1Very high92Very high3 Ų327.9 Ų27.92%0.02117%0.165CC..  trans-67176.1172.775.60000111.5N84 H88 T115 G116 F117N84-S113 WeakPolarHBondContact OD1-CB 3.16Å; H88-S113 PolarHBondContact NE2-N 3.39Å; S113-T115 PolarHBondContact O-N 3.44Å; S113-T115 PolarHBondContact OG-N 3.11Å; S113-T115 PolarHBondContact OG-OG1 3.47Å; S113-G116 PolarHBondContact O-N 3.22Å; S113-G116 VanDerWaalsContact O-N 3.07Å; S113-G116 PolarHBondContact OG-N 3.2Å; S113-F117 PolarHBondContact N-O 2.75Å; S113-F117 WeakPolarHBondContact OG-CB 3.42Å; S113-F117 PolarHBondContact OG-N 2.84Å
114A87.8Confident91.9Very high54 Ų5427 Ų2745%0.44616%0.16SC..THydrogen-bonded Turntrans-65.7-1.1170.200000113.7K82 T1961K82-A114 WeakPolarHBondContact O-CB 3.5Å; K82-A114 PolarHBondContact O-N 2.89Å; A114-T1961 PolarHBondContact O-OG1 3.46Å
115T85.8Confident91.9Very high12 Ų1224.3 Ų24.37%0.07415%0.145CC..THydrogen-bonded Turntrans-12725.5172.549.90000112.9S113 F117 E147 Q1965S113-T115 PolarHBondContact O-N 3.44Å; S113-T115 PolarHBondContact OG-N 3.11Å; S113-T115 PolarHBondContact OG-OG1 3.47Å; T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 3.4Å; T115-E147 VanDerWaalsContact CA-CD 3.4Å; T115-E147 WeakPolarHBondContact CA-OE1 3.33Å; T115-E147 WeakPolarHBondContact CA-OE2 3.44Å; T115-E147 VanDerWaalsContact O-CG 3.32Å; T115-E147 WeakPolarHBondContact O-CG 3.27Å; T115-Q1965 PolarHBondContact OG1-NE2 2.8Å; T115-Q1965 PolarHBondContact OG1-OE1 3.35Å
116G89.1Confident92.1Very high2 Ų225.2 Ų25.22%0.02114%0.144CC..SBendtrans75.64.3174.200000116Q112 S113Q112-G116 PolarHBondContact NE2-O 2.89Å; S113-G116 PolarHBondContact O-N 3.22Å; S113-G116 VanDerWaalsContact O-N 3.07Å; S113-G116 PolarHBondContact OG-N 3.2Å
117F92.4Very high92.1Very high25 Ų2526 Ų2611%0.1114%0.135CC..  trans-74.1127.8177.6-63.2-31.9000111.7H88 Q112 S113 T115 Y121 M122 T146 Q1965H88-F117 PolarHBondContact NE2-O 3.13Å; H88-F117 VanDerWaalsContact NE2-O 3.08Å; Q112-F117 CarbonylContact C-O 3.58Å; Q112-F117 VanDerWaalsContact CA-O 3.29Å; Q112-F117 WeakPolarHBondContact CA-O 3.47Å; S113-F117 PolarHBondContact N-O 2.75Å; S113-F117 WeakPolarHBondContact OG-CB 3.42Å; S113-F117 PolarHBondContact OG-N 2.84Å; T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 3.4Å; F117-Y121 HydrophobicContact CB-CD1 4.19Å; F117-Y121 HydrophobicContact CB-CG 4.49Å; F117-Y121 AromaticContact CD1-CD1 3.33Å; F117-Y121 HydrophobicContact CD1-CD1 3.33Å; F117-Y121 HydrophobicContact CD1-CD2 4.37Å; F117-Y121 AromaticContact CD1-CE1 3.22Å; F117-Y121 HydrophobicContact CD1-CE1 3.22Å; F117-Y121 HydrophobicContact CD1-CE2 4.27Å; F117-Y121 AromaticContact CD1-CG 3.94Å; F117-Y121 HydrophobicContact CD1-CG 3.94Å; F117-Y121 AromaticContact CD1-CZ 3.71Å; F117-Y121 AromaticContact CE1-CD1 3.8Å; F117-Y121 HydrophobicContact CE1-CD1 3.8Å; F117-Y121 AromaticContact CE1-CE1 3.15Å; F117-Y121 HydrophobicContact CE1-CE1 3.15Å; F117-Y121 HydrophobicContact CE1-CE2 4.41Å; F117-Y121 AromaticContact CE1-CZ 3.5Å; F117-Y121 AromaticContact CG-CD1 3.87Å; F117-Y121 HydrophobicContact CG-CD1 3.87Å; F117-Y121 HydrophobicContact CG-CE1 4.1Å; F117-Y121 AromaticContact CZ-CE1 3.93Å; F117-Y121 HydrophobicContact CZ-CE1 3.93Å; F117-M122 HydrophobicContact CB-CE 3.89Å; F117-M122 HydrophobicContact CB-CG 4.3Å; F117-M122 HydrophobicContact CD2-CE 3.64Å; F117-M122 HydrophobicContact CG-CE 4.25Å; F117-T146 HydrophobicContact CD1-CG2 3.5Å; F117-T146 VanDerWaalsContact CD1-CG2 3.5Å; F117-T146 HydrophobicContact CE1-CG2 3.78Å; F117-Q1965 HydrophobicContact CZ-CB 4.47Å
118T93.6Very high92.2Very high2 Ų230 Ų301%0.01215%0.149CC..  trans-82.9163.7165.657.60000111.9Q112 L120 Y121 M122 L144Q112-T118 HydrophobicContact CG-CG2 3.6Å; T118-L120 PolarHBondContact O-N 2.8Å; T118-Y121 WeakPolarHBondContact O-CB 3.32Å; T118-Y121 PolarHBondContact O-N 2.91Å; T118-Y121 VanDerWaalsContact O-N 3.08Å; T118-Y121 PolarHBondContact OG1-N 3.21Å; T118-M122 PolarHBondContact O-N 3.44Å; T118-L144 HydrophobicContact CG2-CB 4.02Å; T118-L144 HydrophobicContact CG2-CD1 3.69Å
119P95Very high92.2Very high0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-52.4-34.2165.5-28.134000113.1L87 R111 M122 A123 L135L87-P119 HydrophobicContact CD2-CG 4.09Å; L87-P119 HydrophobicContact CG-CB 4.19Å; L87-P119 HydrophobicContact CG-CG 4.03Å; R111-P119 WeakPolarHBondContact O-CD 3.46Å; P119-M122 PolarHBondContact O-N 2.91Å; P119-A123 WeakPolarHBondContact O-CB 3.39Å; P119-A123 PolarHBondContact O-N 2.7Å; P119-L135 HydrophobicContact CB-CD1 4.1Å; P119-L135 HydrophobicContact CB-CD2 4.24Å
120L94.5Very high92.1Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-69.5-41.5175.7179.464.2000112.2T118 M122 A123 A124 V132 L135 L136 A140 Q142 P152 L168T118-L120 PolarHBondContact O-N 2.8Å; L120-M122 VanDerWaalsContact C-N 3.34Å; L120-A123 PolarHBondContact O-N 2.85Å; L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 2.93Å; L120-V132 HydrophobicContact CD1-CB 4.4Å; L120-V132 HydrophobicContact CD1-CG1 3.95Å; L120-V132 HydrophobicContact CD1-CG2 4.49Å; L120-L135 HydrophobicContact CB-CD1 4.33Å; L120-L135 HydrophobicContact CD1-CB 4.28Å; L120-L136 HydrophobicContact CD1-CD1 4.49Å; L120-L136 HydrophobicContact CD1-CD2 4.18Å; L120-L136 HydrophobicContact CD1-CG 3.98Å; L120-L136 HydrophobicContact CD2-CD2 3.75Å; L120-L136 HydrophobicContact CD2-CG 4.45Å; L120-A140 HydrophobicContact CB-CB 4.07Å; L120-A140 HydrophobicContact CD2-CB 3.89Å; L120-A140 HydrophobicContact CG-CB 4.42Å; L120-Q142 HydrophobicContact CD2-CB 3.78Å; L120-P152 HydrophobicContact CD2-CG 4.25Å; L120-P152 HydrophobicContact CG-CB 4.26Å; L120-P152 HydrophobicContact CG-CG 4.16Å; L120-L168 HydrophobicContact CD1-CD2 4.44Å
121Y92.9Very high92.2Very high14 Ų1430.2 Ų30.26%0.05515%0.15CC..Hα-helixtrans-59.2-46.7172.7-173.5-75000110.7F117 T118 A124 Q125 T146 F150 P152 I155F117-Y121 HydrophobicContact CB-CD1 4.19Å; F117-Y121 HydrophobicContact CB-CG 4.49Å; F117-Y121 AromaticContact CD1-CD1 3.33Å; F117-Y121 HydrophobicContact CD1-CD1 3.33Å; F117-Y121 HydrophobicContact CD1-CD2 4.37Å; F117-Y121 AromaticContact CD1-CE1 3.22Å; F117-Y121 HydrophobicContact CD1-CE1 3.22Å; F117-Y121 HydrophobicContact CD1-CE2 4.27Å; F117-Y121 AromaticContact CD1-CG 3.94Å; F117-Y121 HydrophobicContact CD1-CG 3.94Å; F117-Y121 AromaticContact CD1-CZ 3.71Å; F117-Y121 AromaticContact CE1-CD1 3.8Å; F117-Y121 HydrophobicContact CE1-CD1 3.8Å; F117-Y121 AromaticContact CE1-CE1 3.15Å; F117-Y121 HydrophobicContact CE1-CE1 3.15Å; F117-Y121 HydrophobicContact CE1-CE2 4.41Å; F117-Y121 AromaticContact CE1-CZ 3.5Å; F117-Y121 AromaticContact CG-CD1 3.87Å; F117-Y121 HydrophobicContact CG-CD1 3.87Å; F117-Y121 HydrophobicContact CG-CE1 4.1Å; F117-Y121 AromaticContact CZ-CE1 3.93Å; F117-Y121 HydrophobicContact CZ-CE1 3.93Å; T118-Y121 WeakPolarHBondContact O-CB 3.32Å; T118-Y121 PolarHBondContact O-N 2.91Å; T118-Y121 VanDerWaalsContact O-N 3.08Å; T118-Y121 PolarHBondContact OG1-N 3.21Å; Y121-A124 PolarHBondContact O-N 3.36Å; Y121-Q125 WeakPolarHBondContact O-CB 3.44Å; Y121-Q125 PolarHBondContact O-N 2.86Å; Y121-T146 HydrophobicContact CD2-CG2 3.86Å; Y121-T146 HydrophobicContact CE2-CG2 3.41Å; Y121-T146 VanDerWaalsContact CE2-CG2 3.41Å; Y121-F150 HydrophobicContact CE2-CB 4.06Å; Y121-P152 HydrophobicContact CD2-CG 4.43Å; Y121-I155 HydrophobicContact CD1-CG2 4.19Å; Y121-I155 HydrophobicContact CD2-CG2 3.84Å; Y121-I155 HydrophobicContact CE1-CB 4.12Å; Y121-I155 HydrophobicContact CE1-CG1 3.92Å; Y121-I155 HydrophobicContact CE1-CG2 3.91Å; Y121-I155 HydrophobicContact CE2-CB 3.78Å; Y121-I155 HydrophobicContact CE2-CG1 4.46Å; Y121-I155 HydrophobicContact CE2-CG2 3.55Å; Y121-I155 HydrophobicContact CG-CG2 4.15Å
122M94.1Very high92.3Very high7 Ų726 Ų263%0.03413%0.134CC..Hα-helixtrans-63.2-45.2178-72.7-167.7176.200112.7H88 L92 F117 T118 P119 L120 A124 Q125 E126H88-M122 HydrophobicContact CB-SD 3.82Å; L92-M122 HydrophobicContact CB-CB 4.12Å; L92-M122 HydrophobicContact CB-SD 4.21Å; L92-M122 HydrophobicContact CD1-CB 3.69Å; L92-M122 HydrophobicContact CD1-CG 3.94Å; L92-M122 HydrophobicContact CD1-SD 4.17Å; F117-M122 HydrophobicContact CB-CE 3.89Å; F117-M122 HydrophobicContact CB-CG 4.3Å; F117-M122 HydrophobicContact CD2-CE 3.64Å; F117-M122 HydrophobicContact CG-CE 4.25Å; T118-M122 PolarHBondContact O-N 3.44Å; P119-M122 PolarHBondContact O-N 2.91Å; L120-M122 VanDerWaalsContact C-N 3.34Å; M122-A124 VanDerWaalsContact C-N 3.26Å; M122-A124 PolarHBondContact O-N 3.33Å; M122-Q125 PolarHBondContact O-N 2.74Å; M122-E126 WeakPolarHBondContact O-CB 3.43Å; M122-E126 PolarHBondContact O-N 3.44Å; M122-E126 VanDerWaalsContact O-N 3.13Å
123A95.1Very high92.3Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-63.5-33.2175.600000112.2P119 L120 N127 R128 V131 V132 L135P119-A123 WeakPolarHBondContact O-CB 3.39Å; P119-A123 PolarHBondContact O-N 2.7Å; L120-A123 PolarHBondContact O-N 2.85Å; A123-N127 PolarHBondContact O-N 3.13Å; A123-R128 HydrophobicContact CB-CB 4.23Å; A123-R128 PolarHBondContact O-N 3.35Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.7Å; A123-V132 HydrophobicContact CB-CG2 3.65Å; A123-L135 HydrophobicContact CB-CD1 3.97Å
124A92.9Very high92.5Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-73.3-44.5176.700000112.6L120 Y121 M122 E126 N127 V132 P152 H161 V164 L168L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 2.93Å; Y121-A124 PolarHBondContact O-N 3.36Å; M122-A124 VanDerWaalsContact C-N 3.26Å; M122-A124 PolarHBondContact O-N 3.33Å; A124-E126 VanDerWaalsContact C-N 3.25Å; A124-E126 PolarHBondContact O-N 3.39Å; A124-N127 PolarHBondContact O-N 3.33Å; A124-V132 HydrophobicContact CB-CG2 4.46Å; A124-P152 HydrophobicContact CB-CB 4.14Å; A124-H161 PolarHBondContact O-CD2 2.89Å; A124-H161 VanDerWaalsContact O-CD2 3.23Å; A124-V164 HydrophobicContact CB-CG1 3.74Å; A124-L168 HydrophobicContact CB-CD1 4.32Å
125Q92.4Very high92.8Very high34 Ų3423.8 Ų23.816%0.15912%0.116CC..Hα-helixtrans-58-37.1174.8177.1-178.8-36.100112.3Y121 M122 I155 H161Y121-Q125 WeakPolarHBondContact O-CB 3.44Å; Y121-Q125 PolarHBondContact O-N 2.86Å; M122-Q125 PolarHBondContact O-N 2.74Å; Q125-I155 HydrophobicContact CB-CG1 4.06Å; Q125-I155 HydrophobicContact CG-CG1 4.21Å; Q125-H161 PolarHBondContact O-CD2 3.49Å; Q125-H161 PolarHBondContact O-NE2 2.91Å
126E92.7Very high93Very high69 Ų6924.3 Ų24.332%0.32212%0.118SC..THydrogen-bonded Turntrans-95.911.7-175.8-74.5-69.5116.500114.2L92 M122 A124 R128L92-E126 HydrophobicContact CD1-CG 3.41Å; L92-E126 VanDerWaalsContact CD1-CG 3.41Å; L92-E126 HydrophobicContact CG-CG 3.88Å; M122-E126 WeakPolarHBondContact O-CB 3.43Å; M122-E126 PolarHBondContact O-N 3.44Å; M122-E126 VanDerWaalsContact O-N 3.13Å; A124-E126 VanDerWaalsContact C-N 3.25Å; A124-E126 PolarHBondContact O-N 3.39Å; E126-R128 HydrophobicContact CB-CG 3.65Å; E126-R128 VanDerWaalsContact O-CD 3.32Å; E126-R128 WeakPolarHBondContact O-CD 3.43Å; E126-R128 PolarHBondContact O-N 3.3Å; E126-R128 VanDerWaalsContact O-N 3.15Å; E126-R128 PolarHBondContact O-NE 3.32Å; E126-R128 IonicContact OE2-CZ 3.77Å; E126-R128 IonicContact OE2-NE 2.85Å; E126-R128 IonicContact OE2-NH2 3.21Å; E126-R128 PolarHBondContact OE2-NH2 2.77Å
127N92.5Very high93.1Very high67 Ų6730.5 Ų30.536%0.35815%0.146SC..THydrogen-bonded Turntrans52.734.3-179.3-154.8-17.9000113.8A123 A124 L129 H161A123-N127 PolarHBondContact O-N 3.13Å; A124-N127 PolarHBondContact O-N 3.33Å; N127-L129 PolarHBondContact O-N 3.23Å; N127-H161 HydrophobicContact CB-CB 4.42Å; N127-H161 PolarHBondContact ND2-ND1 3.15Å
128R93.5Very high93Very high90 Ų9034.3 Ų34.334%0.3416%0.16SC..  trans-83.461.9-176.7-52.8-57.4-178.6-149.8-12.7110.4L92 A123 E126 N130 V131 V132L92-R128 PolarHBondContact O-NE 3.38Å; A123-R128 HydrophobicContact CB-CB 4.23Å; A123-R128 PolarHBondContact O-N 3.35Å; E126-R128 HydrophobicContact CB-CG 3.65Å; E126-R128 VanDerWaalsContact O-CD 3.32Å; E126-R128 WeakPolarHBondContact O-CD 3.43Å; E126-R128 PolarHBondContact O-N 3.3Å; E126-R128 VanDerWaalsContact O-N 3.15Å; E126-R128 PolarHBondContact O-NE 3.32Å; E126-R128 IonicContact OE2-CZ 3.77Å; E126-R128 IonicContact OE2-NE 2.85Å; E126-R128 IonicContact OE2-NH2 3.21Å; E126-R128 PolarHBondContact OE2-NH2 2.77Å; R128-N130 VanDerWaalsContact C-N 3.33Å; R128-N130 PolarHBondContact O-N 3.07Å; R128-N130 VanDerWaalsContact O-N 3.14Å; R128-V131 HydrophobicContact CB-CB 4.03Å; R128-V131 HydrophobicContact CB-CG2 4.42Å; R128-V131 WeakPolarHBondContact O-CA 3.26Å; R128-V131 WeakPolarHBondContact O-CB 3.45Å; R128-V131 PolarHBondContact O-N 2.86Å; R128-V132 PolarHBondContact O-N 2.89Å
129L91.3Very high92.8Very high25 Ų2536.6 Ų36.613%0.13118%0.184CC..Hα-helixtrans-45.9-50.1-169.7-163.369.8000113.6N127 V131 V132 D133 R163 V164N127-L129 PolarHBondContact O-N 3.23Å; L129-V131 PolarHBondContact O-N 2.94Å; L129-V132 WeakPolarHBondContact O-CB 3.05Å; L129-V132 PolarHBondContact O-N 3.19Å; L129-D133 WeakPolarHBondContact O-CB 3.31Å; L129-D133 PolarHBondContact O-N 3.24Å; L129-R163 HydrophobicContact CD1-CB 4.15Å; L129-R163 HydrophobicContact CD2-CB 4.33Å; L129-V164 HydrophobicContact CD1-CG2 3.78Å
130N92.6Very high92.6Very high113 Ų11337 Ų3760%0.60419%0.187SC*.Hα-helixtrans-62.5-27.5179.9-59.15.6000113.7Y96 R128 L134Y96-N130 HydrophobicContact CD2-CB 4.27Å; R128-N130 VanDerWaalsContact C-N 3.33Å; R128-N130 PolarHBondContact O-N 3.07Å; R128-N130 VanDerWaalsContact O-N 3.14Å; N130-L134 WeakPolarHBondContact O-CB 3.47Å; N130-L134 PolarHBondContact O-N 2.64Å
131V94.7Very high92.2Very high2 Ų240.3 Ų40.31%0.01221%0.205CC..Hα-helixtrans-83.8-42.7176.1171.10000110.5V99 A123 R128 L129 D133 L134 L135V99-V131 HydrophobicContact CG1-CG1 4.3Å; V99-V131 HydrophobicContact CG2-CG1 4.22Å; V99-V131 HydrophobicContact CG2-CG2 4.32Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.7Å; R128-V131 HydrophobicContact CB-CB 4.03Å; R128-V131 HydrophobicContact CB-CG2 4.42Å; R128-V131 WeakPolarHBondContact O-CA 3.26Å; R128-V131 WeakPolarHBondContact O-CB 3.45Å; R128-V131 PolarHBondContact O-N 2.86Å; L129-V131 PolarHBondContact O-N 2.94Å; V131-D133 PolarHBondContact O-N 2.75Å; V131-L134 PolarHBondContact O-N 3.28Å; V131-L135 HydrophobicContact CG1-CD1 3.71Å; V131-L135 HydrophobicContact CG1-CG 4.12Å; V131-L135 WeakPolarHBondContact O-CB 3.22Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 3.28Å
132V93.5Very high91.9Very high1 Ų141.1 Ų41.11%0.00621%0.209CC..Hα-helixtrans-52.4-45.5169.4172.10000109.8L120 A123 A124 R128 L129 L135 L136 V164 L168L120-V132 HydrophobicContact CD1-CB 4.4Å; L120-V132 HydrophobicContact CD1-CG1 3.95Å; L120-V132 HydrophobicContact CD1-CG2 4.49Å; A123-V132 HydrophobicContact CB-CG2 3.65Å; A124-V132 HydrophobicContact CB-CG2 4.46Å; R128-V132 PolarHBondContact O-N 2.89Å; L129-V132 WeakPolarHBondContact O-CB 3.05Å; L129-V132 PolarHBondContact O-N 3.19Å; V132-L135 PolarHBondContact O-N 3.35Å; V132-L136 HydrophobicContact CG1-CD1 3.74Å; V132-L136 HydrophobicContact CG1-CG 4.48Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 VanDerWaalsContact O-CG 3.23Å; V132-L136 WeakPolarHBondContact O-CG 3.4Å; V132-L136 PolarHBondContact O-N 3.22Å; V132-V164 HydrophobicContact CG2-CG1 4.36Å; V132-V164 HydrophobicContact CG2-CG2 4.34Å; V132-L168 HydrophobicContact CG1-CD2 4.46Å
133D92.3Very high91.4Very high31 Ų3142.8 Ų42.817%0.16622%0.224CC..Hα-helixtrans-59.8-52.2176.1-117.4-52.8000113.1L129 V131 L135 L136 Q137 H167 R171L129-D133 WeakPolarHBondContact O-CB 3.31Å; L129-D133 PolarHBondContact O-N 3.24Å; V131-D133 PolarHBondContact O-N 2.75Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 3.04Å; D133-L136 PolarHBondContact O-N 2.77Å; D133-Q137 WeakPolarHBondContact O-CB 3.38Å; D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 3.31Å; D133-Q137 PolarHBondContact OD1-NE2 3.29Å; D133-Q137 VanDerWaalsContact OD1-NE2 3.11Å; D133-H167 IonicContact OD2-CD2 2.67Å; D133-R171 IonicContact OD1-CZ 3.7Å; D133-R171 IonicContact OD1-NH1 3.85Å; D133-R171 PolarHBondContact OD1-NH1 2.76Å; D133-R171 IonicContact OD1-NH2 3.27Å; D133-R171 PolarHBondContact OD1-NH2 3.39Å
134L93.7Very high90.9Very high6 Ų644.8 Ų44.83%0.03124%0.235CC..Hα-helixtrans-61.2-42.3179.317761.3000111.8Y96 V99 K100 L103 N130 V131 Q137 R138Y96-L134 HydrophobicContact CD2-CB 4.49Å; Y96-L134 HydrophobicContact CD2-CD2 4.01Å; Y96-L134 HydrophobicContact CE2-CB 3.96Å; Y96-L134 HydrophobicContact CE2-CD2 3.77Å; Y96-L134 HydrophobicContact CE2-CG 4.31Å; V99-L134 HydrophobicContact CB-CD2 4.32Å; V99-L134 HydrophobicContact CG1-CD2 3.77Å; K100-L134 HydrophobicContact CB-CD2 3.99Å; L103-L134 HydrophobicContact CD1-CD2 4.34Å; L103-L134 HydrophobicContact CD1-CG 4.19Å; N130-L134 WeakPolarHBondContact O-CB 3.47Å; N130-L134 PolarHBondContact O-N 2.64Å; V131-L134 PolarHBondContact O-N 3.28Å; L134-Q137 PolarHBondContact O-N 3.1Å; L134-R138 HydrophobicContact CD1-CG 4.09Å; L134-R138 WeakPolarHBondContact O-CB 3.38Å; L134-R138 WeakPolarHBondContact O-CG 3.15Å; L134-R138 PolarHBondContact O-N 3.25Å
135L94.3Very high90.4Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-64.6-48.3178.8-71.5171.5000110.8V99 L103 I109 P119 L120 A123 V131 V132 D133 Q137 R138 G139 A140V99-L135 HydrophobicContact CG1-CD2 4.38Å; L103-L135 HydrophobicContact CD1-CD2 4.15Å; I109-L135 HydrophobicContact CD1-CD2 4.08Å; I109-L135 VanDerWaalsContact CD1-O 3.28Å; I109-L135 WeakPolarHBondContact CD1-O 3.43Å; I109-L135 HydrophobicContact CG1-CD2 3.71Å; P119-L135 HydrophobicContact CB-CD1 4.1Å; P119-L135 HydrophobicContact CB-CD2 4.24Å; L120-L135 HydrophobicContact CB-CD1 4.33Å; L120-L135 HydrophobicContact CD1-CB 4.28Å; A123-L135 HydrophobicContact CB-CD1 3.97Å; V131-L135 HydrophobicContact CG1-CD1 3.71Å; V131-L135 HydrophobicContact CG1-CG 4.12Å; V131-L135 WeakPolarHBondContact O-CB 3.22Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 3.35Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 3.04Å; L135-Q137 PolarHBondContact O-N 3.44Å; L135-R138 CarbonylContact O-C 3.5Å; L135-R138 PolarHBondContact O-N 3.28Å; L135-R138 VanDerWaalsContact O-N 3.11Å; L135-G139 PolarHBondContact O-N 2.84Å; L135-G139 VanDerWaalsContact O-N 3.15Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.8Å; L135-A140 VanDerWaalsContact O-CB 3.22Å; L135-A140 WeakPolarHBondContact O-CB 3.33Å; L135-A140 PolarHBondContact O-N 3.14Å
136L90.6Very high90Very high23 Ų2346.5 Ų46.512%0.1225%0.247CC..Hα-helixtrans-62.1-41.4176.2-69.6168.7000111.9L120 V132 D133 R138 G139 Q142 L168L120-L136 HydrophobicContact CD1-CD1 4.49Å; L120-L136 HydrophobicContact CD1-CD2 4.18Å; L120-L136 HydrophobicContact CD1-CG 3.98Å; L120-L136 HydrophobicContact CD2-CD2 3.75Å; L120-L136 HydrophobicContact CD2-CG 4.45Å; V132-L136 HydrophobicContact CG1-CD1 3.74Å; V132-L136 HydrophobicContact CG1-CG 4.48Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 VanDerWaalsContact O-CG 3.23Å; V132-L136 WeakPolarHBondContact O-CG 3.4Å; V132-L136 PolarHBondContact O-N 3.22Å; D133-L136 PolarHBondContact O-N 2.77Å; L136-R138 PolarHBondContact O-N 3.35Å; L136-G139 PolarHBondContact O-N 3.15Å; L136-Q142 HydrophobicContact CD2-CB 4.35Å; L136-L168 HydrophobicContact CD1-CD2 4.1Å; L136-L168 HydrophobicContact CD2-CD2 4.46Å
137Q90Very high89.4Confident131 Ų13145 Ų4561%0.61224%0.24SC*.Hα-helixtrans-63.9-24.9175.1-72.6169.831.800113.4D133 L134 L135D133-Q137 WeakPolarHBondContact O-CB 3.38Å; D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 3.31Å; D133-Q137 PolarHBondContact OD1-NE2 3.29Å; D133-Q137 VanDerWaalsContact OD1-NE2 3.11Å; L134-Q137 PolarHBondContact O-N 3.1Å; L135-Q137 PolarHBondContact O-N 3.44Å
138R90.9Very high88.4Confident106 Ų10645.8 Ų45.840%0.424%0.244SC..THydrogen-bonded Turntrans-97.66.6177.7-66.6-68.9-170.398.21.9113.8L103 D104 I109 L134 L135 L136L103-R138 HydrophobicContact CD1-CB 4.41Å; L103-R138 HydrophobicContact CD1-CG 4.2Å; D104-R138 IonicContact OD1-CZ 3.42Å; D104-R138 IonicContact OD1-NH1 3.35Å; D104-R138 PolarHBondContact OD1-NH1 2.84Å; D104-R138 IonicContact OD1-NH2 2.68Å; D104-R138 PolarHBondContact OD1-NH2 2.87Å; D104-R138 IonicContact OD2-NH2 3.22Å; I109-R138 HydrophobicContact CD1-CB 3.44Å; I109-R138 VanDerWaalsContact CD1-CB 3.44Å; I109-R138 WeakPolarHBondContact CD1-O 3.39Å; L134-R138 HydrophobicContact CD1-CG 4.09Å; L134-R138 WeakPolarHBondContact O-CB 3.38Å; L134-R138 WeakPolarHBondContact O-CG 3.15Å; L134-R138 PolarHBondContact O-N 3.25Å; L135-R138 CarbonylContact O-C 3.5Å; L135-R138 PolarHBondContact O-N 3.28Å; L135-R138 VanDerWaalsContact O-N 3.11Å; L136-R138 PolarHBondContact O-N 3.35Å
139G88.9Confident87.4Confident49 Ų4943 Ų4351%0.50524%0.244SC..THydrogen-bonded Turntrans94.126.1173.400000115.9N110 L135 L136 N141N110-G139 PolarHBondContact ND2-O 3.23Å; L135-G139 PolarHBondContact O-N 2.84Å; L135-G139 VanDerWaalsContact O-N 3.15Å; L136-G139 PolarHBondContact O-N 3.15Å; G139-N141 PolarHBondContact O-N 3.02Å
140A90.7Very high86.8Confident9 Ų944 Ų447%0.07425%0.247CC..  trans-64.7131.4172.600000111.7I109 N110 L120 L135 Q142I109-A140 HydrophobicContact CD1-CB 3.99Å; I109-A140 HydrophobicContact CG1-CB 3.94Å; N110-A140 WeakPolarHBondContact OD1-CA 3.14Å; L120-A140 HydrophobicContact CB-CB 4.07Å; L120-A140 HydrophobicContact CD2-CB 3.89Å; L120-A140 HydrophobicContact CG-CB 4.42Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.8Å; L135-A140 VanDerWaalsContact O-CB 3.22Å; L135-A140 WeakPolarHBondContact O-CB 3.33Å; L135-A140 PolarHBondContact O-N 3.14Å; A140-Q142 PolarHBondContact O-N 3.1Å
141N87.1Confident86.5Confident70 Ų7038.8 Ų38.837%0.37422%0.219SC..  trans-89.199-175.2-175.75000111.3N110 G139 A143 L144N110-N141 PolarHBondContact OD1-N 3.28Å; G139-N141 PolarHBondContact O-N 3.02Å; N141-A143 PolarHBondContact O-N 3.15Å; N141-A143 VanDerWaalsContact OD1-CB 3.32Å; N141-A143 WeakPolarHBondContact OD1-CB 3.41Å; N141-A143 PolarHBondContact OD1-N 3.3Å; N141-L144 HydrophobicContact CB-CD1 3.98Å; N141-L144 HydrophobicContact CB-CG 4.02Å; N141-L144 PolarHBondContact O-N 3.2Å
142Q86.7Confident86.1Confident30 Ų3038.7 Ų38.714%0.1422%0.219CC..THydrogen-bonded Turntrans-68.3-9.2177.372.6-142.5-23.500114.9L120 L136 A140 P152 L168 R171 D172L120-Q142 HydrophobicContact CD2-CB 3.78Å; L136-Q142 HydrophobicContact CD2-CB 4.35Å; A140-Q142 PolarHBondContact O-N 3.1Å; Q142-P152 WeakPolarHBondContact O-CD 3.44Å; Q142-L168 HydrophobicContact CB-CD2 4.25Å; Q142-R171 PolarHBondContact NE2-O 2.83Å; Q142-D172 HydrophobicContact CG-CB 3.9Å; Q142-D172 WeakPolarHBondContact CG-OD2 3.43Å; Q142-D172 VanDerWaalsContact NE2-CB 3.3Å
143A82.8Confident85.7Confident42 Ų4239.6 Ų39.635%0.34722%0.223SC..THydrogen-bonded Turntrans-86.5-9176.800000113.6N141 T145N141-A143 PolarHBondContact O-N 3.15Å; N141-A143 VanDerWaalsContact OD1-CB 3.32Å; N141-A143 WeakPolarHBondContact OD1-CB 3.41Å; N141-A143 PolarHBondContact OD1-N 3.3Å; A143-T145 PolarHBondContact O-N 3.11Å
144L83.8Confident85.2Confident43 Ų4338.1 Ų38.123%0.22522%0.215CC..PPolyproline II helixtrans-68.7124.1174.6-66.5173.4000109.9N110 T118 N141 P152N110-L144 HydrophobicContact CB-CD1 4.08Å; T118-L144 HydrophobicContact CG2-CB 4.02Å; T118-L144 HydrophobicContact CG2-CD1 3.69Å; N141-L144 HydrophobicContact CB-CD1 3.98Å; N141-L144 HydrophobicContact CB-CG 4.02Å; N141-L144 PolarHBondContact O-N 3.2Å; L144-P152 WeakPolarHBondContact O-CD 3.31Å
145T83.6Confident84.8Confident62 Ų6238.1 Ų38.138%0.3822%0.216SC..PPolyproline II helixtrans-93.515417652.60000111.3Q112 A143 G149 F150 T151Q112-T145 PolarHBondContact NE2-O 3.02Å; A143-T145 PolarHBondContact O-N 3.11Å; T145-G149 WeakPolarHBondContact CG2-O 3.46Å; T145-F150 CarbonylContact C-O 3.54Å; T145-F150 WeakPolarHBondContact CA-O 3.18Å; T145-T151 HydrophobicContact CG2-CG2 3.74Å
146T84.1Confident84.4Confident7 Ų738.1 Ų38.14%0.04322%0.216CC..PPolyproline II helixtrans-64.9171.1154.962.50000111F117 Y121 D148 G149 F150F117-T146 HydrophobicContact CD1-CG2 3.5Å; F117-T146 VanDerWaalsContact CD1-CG2 3.5Å; F117-T146 HydrophobicContact CE1-CG2 3.78Å; Y121-T146 HydrophobicContact CD2-CG2 3.86Å; Y121-T146 HydrophobicContact CE2-CG2 3.41Å; Y121-T146 VanDerWaalsContact CE2-CG2 3.41Å; T146-D148 VanDerWaalsContact C-N 3.28Å; T146-D148 PolarHBondContact O-N 2.77Å; T146-G149 WeakPolarHBondContact O-CA 3.28Å; T146-G149 PolarHBondContact O-N 2.94Å; T146-F150 PolarHBondContact N-O 2.82Å; T146-F150 WeakPolarHBondContact OG1-CB 3.4Å; T146-F150 PolarHBondContact OG1-N 3.15Å; T146-F150 PolarHBondContact OG1-O 3.01Å
147E79.2Confident84.1Confident38 Ų3837.4 Ų37.418%0.17821%0.212CC..THydrogen-bonded Turntrans-65.3-27.1176.99.6172.587.900112.9T115 G149 S1960 T1961 Y1962T115-E147 VanDerWaalsContact CA-CD 3.4Å; T115-E147 WeakPolarHBondContact CA-OE1 3.33Å; T115-E147 WeakPolarHBondContact CA-OE2 3.44Å; T115-E147 VanDerWaalsContact O-CG 3.32Å; T115-E147 WeakPolarHBondContact O-CG 3.27Å; E147-G149 VanDerWaalsContact C-N 3.27Å; E147-G149 PolarHBondContact O-N 2.92Å; E147-S1960 VanDerWaalsContact CB-O 3.25Å; E147-S1960 WeakPolarHBondContact CB-O 3.41Å; E147-S1960 WeakPolarHBondContact OE1-CB 3.02Å; E147-S1960 PolarHBondContact OE1-OG 2.98Å; E147-T1961 VanDerWaalsContact OE1-CB 3.29Å; E147-T1961 WeakPolarHBondContact OE1-CB 3.49Å; E147-T1961 PolarHBondContact OE1-N 3.26Å; E147-T1961 PolarHBondContact OE1-OG1 2.98Å; E147-T1961 WeakPolarHBondContact OE2-CB 3.22Å; E147-T1961 PolarHBondContact OE2-OG1 2.92Å; E147-Y1962 HydrophobicContact CB-CD2 3.86Å; E147-Y1962 HydrophobicContact CG-CD2 3.65Å; E147-Y1962 HydrophobicContact CG-CE2 4.36Å; E147-Y1962 WeakPolarHBondContact OE2-CA 3.49Å; E147-Y1962 WeakPolarHBondContact OE2-CD2 3.36Å
148D72.2Confident83.8Confident83 Ų8333.7 Ų33.744%0.44419%0.194SC..THydrogen-bonded Turntrans-78.9-2166.4-77.5-28.4000113.6T146 F150 Y1962T146-D148 VanDerWaalsContact C-N 3.28Å; T146-D148 PolarHBondContact O-N 2.77Å; D148-F150 HydrophobicContact CB-CD2 3.64Å; D148-F150 HydrophobicContact CB-CE2 3.82Å; D148-Y1962 HydrophobicContact CB-CD2 4.31Å; D148-Y1962 HydrophobicContact CB-CE2 4.35Å; D148-Y1962 VanDerWaalsContact CG-CD2 3.46Å; D148-Y1962 VanDerWaalsContact CG-CE2 3.45Å; D148-Y1962 WeakPolarHBondContact OD1-CD1 3.31Å; D148-Y1962 WeakPolarHBondContact OD1-CD2 3.5Å; D148-Y1962 WeakPolarHBondContact OD2-CE1 3.41Å; D148-Y1962 WeakPolarHBondContact OD2-CE2 3.39Å; D148-Y1962 PolarHBondContact OD2-OH 3.47Å
149G72.2Confident83.4Confident31 Ų3133 Ų3332%0.3220%0.196SC..SBendtrans878-179.500000116.3T145 T146 E147T145-G149 WeakPolarHBondContact CG2-O 3.46Å; T146-G149 WeakPolarHBondContact O-CA 3.28Å; T146-G149 PolarHBondContact O-N 2.94Å; E147-G149 VanDerWaalsContact C-N 3.27Å; E147-G149 PolarHBondContact O-N 2.92Å
150F79.6Confident83.1Confident47 Ų4732.8 Ų32.821%0.20619%0.193CC..  trans-80.1125.7178.6-68.2-100.2000111.8Y121 T145 T146 D148 A154 I184Y121-F150 HydrophobicContact CE2-CB 4.06Å; T145-F150 CarbonylContact C-O 3.54Å; T145-F150 WeakPolarHBondContact CA-O 3.18Å; T146-F150 PolarHBondContact N-O 2.82Å; T146-F150 WeakPolarHBondContact OG1-CB 3.4Å; T146-F150 PolarHBondContact OG1-N 3.15Å; T146-F150 PolarHBondContact OG1-O 3.01Å; D148-F150 HydrophobicContact CB-CD2 3.64Å; D148-F150 HydrophobicContact CB-CE2 3.82Å; F150-A154 HydrophobicContact CB-CB 4.22Å; F150-A154 HydrophobicContact CD1-CB 3.85Å; F150-A154 HydrophobicContact CG-CB 4.46Å; F150-I184 HydrophobicContact CD1-CD1 4.08Å; F150-I184 HydrophobicContact CE1-CD1 3.71Å
151T84.8Confident82.9Confident3 Ų334 Ų342%0.01820%0.197CC..  trans-80165.2165.456.50000111.4T145 L153 A154 I155T145-T151 HydrophobicContact CG2-CG2 3.74Å; T151-L153 PolarHBondContact O-N 3.28Å; T151-L153 VanDerWaalsContact O-N 3.15Å; T151-A154 PolarHBondContact O-N 3.2Å; T151-A154 PolarHBondContact OG1-N 3.08Å; T151-A154 VanDerWaalsContact OG1-N 3.13Å; T151-I155 PolarHBondContact O-N 3.1Å; T151-I155 VanDerWaalsContact O-N 3.08Å
152P87.3Confident82.5Confident0 Ų035.9 Ų35.90%021%0.207CC..Hα-helixtrans-49.9-33.2166.5-29.236000113.9L120 Y121 A124 Q142 L144 I155 A156 L168L120-P152 HydrophobicContact CD2-CG 4.25Å; L120-P152 HydrophobicContact CG-CB 4.26Å; L120-P152 HydrophobicContact CG-CG 4.16Å; Y121-P152 HydrophobicContact CD2-CG 4.43Å; A124-P152 HydrophobicContact CB-CB 4.14Å; Q142-P152 WeakPolarHBondContact O-CD 3.44Å; L144-P152 WeakPolarHBondContact O-CD 3.31Å; P152-I155 VanDerWaalsContact O-CG2 3.28Å; P152-I155 WeakPolarHBondContact O-CG2 3.22Å; P152-A156 VanDerWaalsContact O-CB 3.3Å; P152-A156 WeakPolarHBondContact O-CB 3.32Å; P152-A156 PolarHBondContact O-N 3.38Å; P152-A156 VanDerWaalsContact O-N 3.11Å; P152-L168 HydrophobicContact CB-CD1 4.15Å; P152-L168 HydrophobicContact CB-CD2 4.41Å
153L85Confident82.4Confident20 Ų2042.8 Ų42.811%0.10523%0.232CC..Hα-helixtrans-69.7-44.5174.1175.962.4000111.9T151 I155 A156 L157 V165 L168 L169 L197T151-L153 PolarHBondContact O-N 3.28Å; T151-L153 VanDerWaalsContact O-N 3.15Å; L153-I155 PolarHBondContact O-N 2.96Å; L153-A156 PolarHBondContact O-N 3.42Å; L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.28Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.01Å; L153-V165 HydrophobicContact CD1-CG1 4.07Å; L153-L168 HydrophobicContact CB-CD1 4.35Å; L153-L168 HydrophobicContact CD1-CB 4.36Å; L153-L169 HydrophobicContact CD1-CD1 4.27Å; L153-L169 HydrophobicContact CD1-CD2 4.16Å; L153-L169 HydrophobicContact CD1-CG 3.87Å; L153-L169 HydrophobicContact CD2-CD2 3.68Å; L153-L169 HydrophobicContact CD2-CG 4.31Å; L153-L197 HydrophobicContact CD2-CD2 4.29Å
154A81.1Confident82.5Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-64.3-37.8-179.900000112.6F150 T151 Q158 I184F150-A154 HydrophobicContact CB-CB 4.22Å; F150-A154 HydrophobicContact CD1-CB 3.85Å; F150-A154 HydrophobicContact CG-CB 4.46Å; T151-A154 PolarHBondContact O-N 3.2Å; T151-A154 PolarHBondContact OG1-N 3.08Å; T151-A154 VanDerWaalsContact OG1-N 3.13Å; A154-Q158 WeakPolarHBondContact O-CB 3.3Å; A154-Q158 PolarHBondContact O-N 2.93Å; A154-I184 HydrophobicContact CB-CD1 4.01Å
155I86Confident82.4Confident7 Ų739 Ų394%0.03621%0.206CC..Hα-helixtrans-72.4-39.6173.8-170.860.5000112.2Y121 Q125 T151 P152 L153 L157 Q158 Q159Y121-I155 HydrophobicContact CD1-CG2 4.19Å; Y121-I155 HydrophobicContact CD2-CG2 3.84Å; Y121-I155 HydrophobicContact CE1-CB 4.12Å; Y121-I155 HydrophobicContact CE1-CG1 3.92Å; Y121-I155 HydrophobicContact CE1-CG2 3.91Å; Y121-I155 HydrophobicContact CE2-CB 3.78Å; Y121-I155 HydrophobicContact CE2-CG1 4.46Å; Y121-I155 HydrophobicContact CE2-CG2 3.55Å; Y121-I155 HydrophobicContact CG-CG2 4.15Å; Q125-I155 HydrophobicContact CB-CG1 4.06Å; Q125-I155 HydrophobicContact CG-CG1 4.21Å; T151-I155 PolarHBondContact O-N 3.1Å; T151-I155 VanDerWaalsContact O-N 3.08Å; P152-I155 VanDerWaalsContact O-CG2 3.28Å; P152-I155 WeakPolarHBondContact O-CG2 3.22Å; L153-I155 PolarHBondContact O-N 2.96Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.45Å; I155-Q158 HydrophobicContact CD1-CB 4.41Å; I155-Q158 PolarHBondContact O-N 2.98Å; I155-Q158 VanDerWaalsContact O-N 3.1Å; I155-Q159 HydrophobicContact CD1-CG 4.04Å; I155-Q159 HydrophobicContact CG1-CG 4.21Å; I155-Q159 WeakPolarHBondContact O-CG 3.33Å; I155-Q159 PolarHBondContact O-N 3Å
156A86.9Confident82.2Confident0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-60.6-37.1175.300000111.9P152 L153 G160 H161 V164 V165 L168P152-A156 VanDerWaalsContact O-CB 3.3Å; P152-A156 WeakPolarHBondContact O-CB 3.32Å; P152-A156 PolarHBondContact O-N 3.38Å; P152-A156 VanDerWaalsContact O-N 3.11Å; L153-A156 PolarHBondContact O-N 3.42Å; A156-G160 PolarHBondContact O-N 2.91Å; A156-H161 PolarHBondContact O-N 3.26Å; A156-V164 HydrophobicContact CB-CB 4.48Å; A156-V164 HydrophobicContact CB-CG1 3.86Å; A156-V165 HydrophobicContact CB-CG2 3.65Å; A156-L168 HydrophobicContact CB-CD1 4.3Å
157L83.4Confident82.1Confident7 Ų739.5 Ų39.54%0.03721%0.209CC..Hα-helixtrans-70.2-37.1171.8-72.1169.6000113.5L153 I155 Q159 V165 A181 I184 A193 L197L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.28Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.01Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.45Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 3.21Å; L157-V165 HydrophobicContact CD2-CB 4.44Å; L157-V165 HydrophobicContact CD2-CG1 3.66Å; L157-V165 HydrophobicContact CD2-CG2 3.84Å; L157-V165 HydrophobicContact CG-CG1 4.29Å; L157-V165 HydrophobicContact CG-CG2 4.01Å; L157-A181 HydrophobicContact CD1-CB 3.61Å; L157-I184 HydrophobicContact CB-CG2 4.24Å; L157-A193 HydrophobicContact CD2-CB 3.28Å; L157-L197 HydrophobicContact CD1-CD1 4.31Å
158Q82.6Confident82.4Confident53 Ų5337.8 Ų37.825%0.24820%0.201CC..Hα-helixtrans-67.2-34176.6179.2156.8-60.200112.1A154 I155 I184 K188A154-Q158 WeakPolarHBondContact O-CB 3.3Å; A154-Q158 PolarHBondContact O-N 2.93Å; I155-Q158 HydrophobicContact CD1-CB 4.41Å; I155-Q158 PolarHBondContact O-N 2.98Å; I155-Q158 VanDerWaalsContact O-N 3.1Å; Q158-I184 HydrophobicContact CB-CG2 4.24Å; Q158-K188 WeakPolarHBondContact O-CE 3.3Å; Q158-K188 PolarHBondContact O-NZ 3.08Å
159Q84.1Confident82.5Confident93 Ų9336 Ų3644%0.43519%0.191SC..Hα-helixtrans-88.7-16.9179.2-60.1-65.64.400114.4I155 L157 H161I155-Q159 HydrophobicContact CD1-CG 4.04Å; I155-Q159 HydrophobicContact CG1-CG 4.21Å; I155-Q159 WeakPolarHBondContact O-CG 3.33Å; I155-Q159 PolarHBondContact O-N 3Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 3.21Å; Q159-H161 WeakPolarHBondContact CB-NE2 3.43Å
160G81.8Confident82.7Confident43 Ų4340.8 Ų40.844%0.44321%0.206SC..THydrogen-bonded Turntrans80.836.1-179.600000114.4A156 D162A156-G160 PolarHBondContact O-N 2.91Å; G160-D162 PolarHBondContact O-N 2.8Å
161H85.7Confident82.1Confident35 Ų3543.2 Ų43.216%0.16221%0.213CC..  trans-92.364.5-177.5-64.7-40.4000112.4A124 Q125 N127 A156 Q159 R163 V164 V165A124-H161 PolarHBondContact O-CD2 2.89Å; A124-H161 VanDerWaalsContact O-CD2 3.23Å; Q125-H161 PolarHBondContact O-CD2 3.49Å; Q125-H161 PolarHBondContact O-NE2 2.91Å; N127-H161 HydrophobicContact CB-CB 4.42Å; N127-H161 PolarHBondContact ND2-ND1 3.15Å; A156-H161 PolarHBondContact O-N 3.26Å; Q159-H161 WeakPolarHBondContact CB-NE2 3.43Å; H161-R163 PolarHBondContact O-N 2.84Å; H161-V164 HydrophobicContact CB-CB 4.14Å; H161-V164 WeakPolarHBondContact O-CA 3.43Å; H161-V164 WeakPolarHBondContact O-CB 3.23Å; H161-V164 PolarHBondContact O-N 2.83Å; H161-V165 PolarHBondContact O-N 2.99Å
162D79.4Confident80.9Confident110 Ų11044.7 Ų44.759%0.58822%0.221SC*.Hα-helixtrans-39.2-43.9-173.3-58.1-6.9000115.1G160 V165 A166G160-D162 PolarHBondContact O-N 2.8Å; D162-V165 PolarHBondContact O-N 2.91Å; D162-A166 WeakPolarHBondContact O-CB 3.42Å; D162-A166 PolarHBondContact O-N 2.94Å
163R84Confident79.1Confident174 Ų17448.1 Ų48.166%0.65725%0.245SC*.Hα-helixtrans-72.2-34.1-176.7-56.3-172.370.91771.6112.8L129 H161 H167L129-R163 HydrophobicContact CD1-CB 4.15Å; L129-R163 HydrophobicContact CD2-CB 4.33Å; H161-R163 PolarHBondContact O-N 2.84Å; R163-H167 PolarHBondContact O-N 2.73Å
164V86.6Confident77.6Confident0 Ų057.3 Ų57.30%028%0.278CS..Hα-helixtrans-74.9-41.6172.6168.60000110.1A124 L129 V132 A156 H161 A166 H167 L168A124-V164 HydrophobicContact CB-CG1 3.74Å; L129-V164 HydrophobicContact CD1-CG2 3.78Å; V132-V164 HydrophobicContact CG2-CG1 4.36Å; V132-V164 HydrophobicContact CG2-CG2 4.34Å; A156-V164 HydrophobicContact CB-CB 4.48Å; A156-V164 HydrophobicContact CB-CG1 3.86Å; H161-V164 HydrophobicContact CB-CB 4.14Å; H161-V164 WeakPolarHBondContact O-CA 3.43Å; H161-V164 WeakPolarHBondContact O-CB 3.23Å; H161-V164 PolarHBondContact O-N 2.83Å; V164-A166 VanDerWaalsContact C-N 3.29Å; V164-A166 PolarHBondContact O-N 2.92Å; V164-H167 PolarHBondContact O-N 2.86Å; V164-L168 HydrophobicContact CG1-CD1 3.7Å; V164-L168 HydrophobicContact CG1-CG 4.23Å; V164-L168 WeakPolarHBondContact O-CB 3.23Å; V164-L168 VanDerWaalsContact O-CG 3.31Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.24Å
165V81.7Confident76Confident6 Ų659.2 Ų59.24%0.03629%0.292CS..Hα-helixtrans-54.9-46.7173.1171.50000110.3L153 A156 L157 H161 D162 L169L153-V165 HydrophobicContact CD1-CG1 4.07Å; A156-V165 HydrophobicContact CB-CG2 3.65Å; L157-V165 HydrophobicContact CD2-CB 4.44Å; L157-V165 HydrophobicContact CD2-CG1 3.66Å; L157-V165 HydrophobicContact CD2-CG2 3.84Å; L157-V165 HydrophobicContact CG-CG1 4.29Å; L157-V165 HydrophobicContact CG-CG2 4.01Å; H161-V165 PolarHBondContact O-N 2.99Å; D162-V165 PolarHBondContact O-N 2.91Å; V165-L169 HydrophobicContact CG1-CD1 3.72Å; V165-L169 WeakPolarHBondContact O-CB 3.38Å; V165-L169 WeakPolarHBondContact O-CD1 3.21Å; V165-L169 VanDerWaalsContact O-CG 3.28Å; V165-L169 WeakPolarHBondContact O-CG 3.23Å; V165-L169 PolarHBondContact O-N 3.31Å
166A79.4Confident74.2Confident31 Ų3170.1 Ų70.126%0.25633%0.332SS..Hα-helixtrans-59.3-54.9175.100000112.6D162 V164 L168 L169 E170D162-A166 WeakPolarHBondContact O-CB 3.42Å; D162-A166 PolarHBondContact O-N 2.94Å; V164-A166 VanDerWaalsContact C-N 3.29Å; V164-A166 PolarHBondContact O-N 2.92Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 2.91Å; A166-L169 CarbonylContact O-C 2.77Å; A166-L169 PolarHBondContact O-N 2.84Å; A166-L169 VanDerWaalsContact O-N 3.14Å; A166-E170 WeakPolarHBondContact O-CB 3.29Å; A166-E170 VanDerWaalsContact O-CG 3.3Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.06Å
167H81.9Confident72.1Confident48 Ų4870.9 Ų70.922%0.22234%0.34CS..Hα-helixtrans-67.4-25.2-178-71.9-12.5000114.3D133 R163 V164 E170D133-H167 IonicContact OD2-CD2 2.67Å; R163-H167 PolarHBondContact O-N 2.73Å; V164-H167 PolarHBondContact O-N 2.86Å; H167-E170 IonicContact CE1-OE2 3.96Å; H167-E170 IonicContact CG-OE2 3.25Å; H167-E170 IonicContact ND1-OE2 3.86Å; H167-E170 PolarHBondContact ND1-OE2 3.19Å
168L84.1Confident70.5Confident3 Ų371.2 Ų71.22%0.01635%0.345CS..Hα-helixtrans-72.3-43170-71.8170.3000111.4L120 A124 V132 L136 Q142 P152 L153 A156 V164 A166 E170 R171 D172L120-L168 HydrophobicContact CD1-CD2 4.44Å; A124-L168 HydrophobicContact CB-CD1 4.32Å; V132-L168 HydrophobicContact CG1-CD2 4.46Å; L136-L168 HydrophobicContact CD1-CD2 4.1Å; L136-L168 HydrophobicContact CD2-CD2 4.46Å; Q142-L168 HydrophobicContact CB-CD2 4.25Å; P152-L168 HydrophobicContact CB-CD1 4.15Å; P152-L168 HydrophobicContact CB-CD2 4.41Å; L153-L168 HydrophobicContact CB-CD1 4.35Å; L153-L168 HydrophobicContact CD1-CB 4.36Å; A156-L168 HydrophobicContact CB-CD1 4.3Å; V164-L168 HydrophobicContact CG1-CD1 3.7Å; V164-L168 HydrophobicContact CG1-CG 4.23Å; V164-L168 WeakPolarHBondContact O-CB 3.23Å; V164-L168 VanDerWaalsContact O-CG 3.31Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.24Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 2.91Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-E170 PolarHBondContact O-N 3.31Å; L168-R171 PolarHBondContact O-N 3.4Å; L168-D172 PolarHBondContact O-N 3.14Å
169L76.2Confident69.5Low44 Ų4471.9 Ų71.923%0.2335%0.35CS..Hα-helixtrans-70.7-25.8176.2-71.2167.8000113.4L153 V165 A166 R171 L196 L197L153-L169 HydrophobicContact CD1-CD1 4.27Å; L153-L169 HydrophobicContact CD1-CD2 4.16Å; L153-L169 HydrophobicContact CD1-CG 3.87Å; L153-L169 HydrophobicContact CD2-CD2 3.68Å; L153-L169 HydrophobicContact CD2-CG 4.31Å; V165-L169 HydrophobicContact CG1-CD1 3.72Å; V165-L169 WeakPolarHBondContact O-CB 3.38Å; V165-L169 WeakPolarHBondContact O-CD1 3.21Å; V165-L169 VanDerWaalsContact O-CG 3.28Å; V165-L169 WeakPolarHBondContact O-CG 3.23Å; V165-L169 PolarHBondContact O-N 3.31Å; A166-L169 CarbonylContact O-C 2.77Å; A166-L169 PolarHBondContact O-N 2.84Å; A166-L169 VanDerWaalsContact O-N 3.14Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.73Å; L169-L196 HydrophobicContact CD1-CB 3.9Å; L169-L196 HydrophobicContact CD1-CD1 4.03Å; L169-L197 HydrophobicContact CD2-CD2 4.23Å
170E74.4Confident68.6Low133 Ų13370 Ų7062%0.62135%0.345SS*.THydrogen-bonded Turntrans-72.6-17.4172.1-75.2169.3172.700112.9A166 H167 L168A166-E170 WeakPolarHBondContact O-CB 3.29Å; A166-E170 VanDerWaalsContact O-CG 3.3Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.06Å; H167-E170 IonicContact CE1-OE2 3.96Å; H167-E170 IonicContact CG-OE2 3.25Å; H167-E170 IonicContact ND1-OE2 3.86Å; H167-E170 PolarHBondContact ND1-OE2 3.19Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-E170 PolarHBondContact O-N 3.31Å
171R67.9Low68.3Low98 Ų9867.9 Ų67.937%0.3732%0.324SS..THydrogen-bonded Turntrans-121.1-11.4-176.2-63.5-170.1-171.5150.615.4115.1D133 Q142 L168 L169D133-R171 IonicContact OD1-CZ 3.7Å; D133-R171 IonicContact OD1-NH1 3.85Å; D133-R171 PolarHBondContact OD1-NH1 2.76Å; D133-R171 IonicContact OD1-NH2 3.27Å; D133-R171 PolarHBondContact OD1-NH2 3.39Å; Q142-R171 PolarHBondContact NE2-O 2.83Å; L168-R171 PolarHBondContact O-N 3.4Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.73Å
172D58.8Low68.2Low33 Ų3366.3 Ų66.318%0.17632%0.317CS..  trans-106.8138.3162.8-151.2-20000112.1Q142 L168 R174 S175Q142-D172 HydrophobicContact CG-CB 3.9Å; Q142-D172 WeakPolarHBondContact CG-OD2 3.43Å; Q142-D172 VanDerWaalsContact NE2-CB 3.3Å; L168-D172 PolarHBondContact O-N 3.14Å; D172-R174 PolarHBondContact OD1-N 2.81Å; D172-S175 PolarHBondContact OD1-N 2.85Å; D172-S175 VanDerWaalsContact OD1-N 3.11Å; D172-S175 WeakPolarHBondContact OD2-CB 3.31Å; D172-S175 PolarHBondContact OD2-OG 2.8Å
173S50.5Low68.4Low72 Ų7262.2 Ų62.250%0.50329%0.294SS..SBendtrans-141.47173.344.20000112.3
174R52.7Low68.4Low214 Ų21454.5 Ų54.581%0.80827%0.266SS*.SBendtrans-143.9-8.9-164.3-63.6-169.3177.390.14.2116.4D172D172-R174 PolarHBondContact OD1-N 2.81Å
175S47.4Very low68.3Low40 Ų4054.5 Ų54.528%0.2827%0.266SS..  trans-77.4141.9177.770.60000113D172 G177D172-S175 PolarHBondContact OD1-N 2.85Å; D172-S175 VanDerWaalsContact OD1-N 3.11Å; D172-S175 WeakPolarHBondContact OD2-CB 3.31Å; D172-S175 PolarHBondContact OD2-OG 2.8Å; S175-G177 PolarHBondContact O-N 3.16Å; S175-G177 VanDerWaalsContact O-N 3.08Å
176R49.4Very low68.7Low236 Ų23654.2 Ų54.289%0.89126%0.264SS*.THydrogen-bonded Turntrans-68.7-0.7174.3-63.9-179.9-179.6170.8-0113.3G178R176-G178 VanDerWaalsContact C-N 3.3Å; R176-G178 PolarHBondContact O-N 3.34Å
177G42.5Very low69.1Low15 Ų1556.4 Ų56.416%0.15527%0.266CS..THydrogen-bonded Turntrans-78.52.1-174.200000116S175 L179 P180S175-G177 PolarHBondContact O-N 3.16Å; S175-G177 VanDerWaalsContact O-N 3.08Å; G177-L179 PolarHBondContact O-N 3.32Å; G177-P180 WeakPolarHBondContact O-CD 3.48Å
178G49.9Very low69.2Low14 Ų1459.3 Ų59.314%0.14428%0.278CS..Hα-helixtrans-70.9-11176.200000115R176 A181 L182R176-G178 VanDerWaalsContact C-N 3.3Å; R176-G178 PolarHBondContact O-N 3.34Å; G178-A181 WeakPolarHBondContact O-CB 3.47Å; G178-A181 PolarHBondContact O-N 2.95Å; G178-L182 PolarHBondContact O-N 3.1Å
179L61.1Low69.4Low67 Ų6761.5 Ų61.535%0.35129%0.29SS..Hα-helixtrans-74.3-41.9-169.4-61.3175.6000114.7G177 H183 H207G177-L179 PolarHBondContact O-N 3.32Å; L179-H183 PolarHBondContact O-ND1 3.43Å; L179-H207 HydrophobicContact CD2-CB 4.44Å
180P66Low69.9Low53 Ų5361.1 Ų61.134%0.34429%0.288SS..Hα-helixtrans-70.3-35168-17.332.4000111.9G177 L182 H183 I184G177-P180 WeakPolarHBondContact O-CD 3.48Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 2.95Å; P180-H183 WeakPolarHBondContact O-CB 3.4Å; P180-H183 PolarHBondContact O-N 3.34Å; P180-H183 VanDerWaalsContact O-N 3.07Å; P180-I184 HydrophobicContact CB-CD1 4.29Å; P180-I184 WeakPolarHBondContact O-CG1 3.46Å; P180-I184 PolarHBondContact O-N 3.49Å
181A74.1Confident70.4Confident0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-56.9-42.2-176.100000112.7L157 G178 H183 I184 A185 L197L157-A181 HydrophobicContact CD1-CB 3.61Å; G178-A181 WeakPolarHBondContact O-CB 3.47Å; G178-A181 PolarHBondContact O-N 2.95Å; A181-H183 PolarHBondContact O-N 2.94Å; A181-I184 PolarHBondContact O-N 2.82Å; A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 3.3Å; A181-L197 HydrophobicContact CB-CD1 3.96Å; A181-L197 HydrophobicContact CB-CD2 4.03Å
182L84Confident71.1Confident2 Ų257 Ų571%0.0128%0.281CS..Hα-helixtrans-65-37.2177.3-173.163.2000112.6G178 P180 A186 V194 L197 L198 V203 P215 L231G178-L182 PolarHBondContact O-N 3.1Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 2.95Å; L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.33Å; L182-A186 PolarHBondContact O-N 2.77Å; L182-V194 HydrophobicContact CD1-CB 4.47Å; L182-V194 HydrophobicContact CD1-CG1 4.08Å; L182-V194 HydrophobicContact CD1-CG2 4.15Å; L182-L197 HydrophobicContact CB-CD1 4.41Å; L182-L197 HydrophobicContact CD1-CB 4.48Å; L182-L197 HydrophobicContact CD1-CD1 4.47Å; L182-L198 HydrophobicContact CD1-CD1 4.2Å; L182-L198 HydrophobicContact CD1-CD2 4.09Å; L182-L198 HydrophobicContact CD1-CG 3.97Å; L182-L198 HydrophobicContact CD2-CD2 3.94Å; L182-V203 HydrophobicContact CD2-CG1 4.08Å; L182-P215 HydrophobicContact CD2-CG 3.68Å; L182-P215 HydrophobicContact CG-CB 4.19Å; L182-P215 HydrophobicContact CG-CG 3.72Å; L182-L231 HydrophobicContact CD1-CD2 4.37Å
183H84.7Confident72Confident24 Ų2455.6 Ų55.611%0.11127%0.274CS..Hα-helixtrans-71.1-36174.1-75.995000112.6L179 P180 A181 A186 R187 H207 F213L179-H183 PolarHBondContact O-ND1 3.43Å; P180-H183 WeakPolarHBondContact O-CB 3.4Å; P180-H183 PolarHBondContact O-N 3.34Å; P180-H183 VanDerWaalsContact O-N 3.07Å; A181-H183 PolarHBondContact O-N 2.94Å; H183-A186 PolarHBondContact O-N 2.98Å; H183-R187 WeakPolarHBondContact O-CB 3.35Å; H183-R187 PolarHBondContact O-N 2.87Å; H183-H207 AromaticContact CE1-CD2 3.71Å; H183-H207 PolarHBondContact CE1-O 2.94Å; H183-F213 PolarHBondContact NE2-O 2.92Å
184I83.3Confident73.6Confident11 Ų1152.1 Ų52.16%0.05625%0.25CC..Hα-helixtrans-67.3-46.1176.5-67.4163.6000110.5F150 A154 L157 Q158 P180 A181 A186 R187 K188F150-I184 HydrophobicContact CD1-CD1 4.08Å; F150-I184 HydrophobicContact CE1-CD1 3.71Å; A154-I184 HydrophobicContact CB-CD1 4.01Å; L157-I184 HydrophobicContact CB-CG2 4.24Å; Q158-I184 HydrophobicContact CB-CG2 4.24Å; P180-I184 HydrophobicContact CB-CD1 4.29Å; P180-I184 WeakPolarHBondContact O-CG1 3.46Å; P180-I184 PolarHBondContact O-N 3.49Å; A181-I184 PolarHBondContact O-N 2.82Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 2.99Å; I184-R187 WeakPolarHBondContact O-CB 3.3Å; I184-R187 PolarHBondContact O-N 3.26Å; I184-R187 VanDerWaalsContact O-N 3.11Å; I184-K188 WeakPolarHBondContact O-CB 3.46Å; I184-K188 WeakPolarHBondContact O-CG 3.39Å; I184-K188 PolarHBondContact O-N 3.47Å
185A84.9Confident75.1Confident1 Ų143.4 Ų43.41%0.00822%0.221CC..Hα-helixtrans-62.6-40.8175.400000111.5A181 R187 K188 D189 D190 A193 V194 L197A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 3.3Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 3.47Å; A185-K188 PolarHBondContact O-N 2.66Å; A185-K188 VanDerWaalsContact O-N 3.15Å; A185-D189 PolarHBondContact O-N 2.71Å; A185-D190 HydrophobicContact CB-CB 4.4Å; A185-D190 PolarHBondContact O-N 3.04Å; A185-D190 VanDerWaalsContact O-N 3.16Å; A185-A193 HydrophobicContact CB-CB 3.99Å; A185-V194 HydrophobicContact CB-CG2 3.55Å; A185-L197 HydrophobicContact CB-CD1 4.47Å
186A89.1Confident76.5Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-67.3-22.6172.500000115.1L182 H183 I184 P215 N224 V227 L231L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.33Å; L182-A186 PolarHBondContact O-N 2.77Å; H183-A186 PolarHBondContact O-N 2.98Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 2.99Å; A186-P215 HydrophobicContact CB-CB 4.01Å; A186-N224 PolarHBondContact O-ND2 3.5Å; A186-V227 HydrophobicContact CB-CG1 3.97Å; A186-L231 HydrophobicContact CB-CD1 4.3Å
187R88.4Confident77.8Confident77 Ų7734.7 Ų34.729%0.29119%0.189SC..Hα-helixtrans-78.8-31.6169.1170.9175.564.3159.21112.6H183 I184 A185 T218 F222 N224H183-R187 WeakPolarHBondContact O-CB 3.35Å; H183-R187 PolarHBondContact O-N 2.87Å; I184-R187 WeakPolarHBondContact O-CB 3.3Å; I184-R187 PolarHBondContact O-N 3.26Å; I184-R187 VanDerWaalsContact O-N 3.11Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 3.47Å; R187-T218 HydrophobicContact CB-CG2 4.05Å; R187-F222 HydrophobicContact CB-CD2 4.26Å; R187-F222 HydrophobicContact CB-CE2 4.02Å; R187-F222 HydrophobicContact CG-CD2 4.1Å; R187-F222 HydrophobicContact CG-CE2 3.63Å; R187-F222 HydrophobicContact CG-CZ 4Å; R187-N224 PolarHBondContact O-ND2 2.79Å
188K83.5Confident79.6Confident109 Ų10935 Ų3547%0.47419%0.187SC..Hα-helixtrans-94.8-3.2-175.4-71.5-87.5177.4157.60114.9Q158 I184 A185 D190Q158-K188 WeakPolarHBondContact O-CE 3.3Å; Q158-K188 PolarHBondContact O-NZ 3.08Å; I184-K188 WeakPolarHBondContact O-CB 3.46Å; I184-K188 WeakPolarHBondContact O-CG 3.39Å; I184-K188 PolarHBondContact O-N 3.47Å; A185-K188 PolarHBondContact O-N 2.66Å; A185-K188 VanDerWaalsContact O-N 3.15Å; K188-D190 VanDerWaalsContact C-N 3.27Å; K188-D190 PolarHBondContact O-N 3.24Å
189D89.4Confident80.9Confident48 Ų4839.4 Ų39.426%0.25721%0.207SC..THydrogen-bonded Turntrans58.630.1-171.7-151.642.3000114.3A185 A191 N224 T226 V227A185-D189 PolarHBondContact O-N 2.71Å; D189-A191 PolarHBondContact O-N 3.15Å; D189-A191 VanDerWaalsContact O-N 3.09Å; D189-N224 HydrophobicContact CB-CB 3.97Å; D189-N224 VanDerWaalsContact OD1-CB 3.29Å; D189-N224 WeakPolarHBondContact OD1-CB 3.23Å; D189-T226 PolarHBondContact OD1-N 2.93Å; D189-T226 PolarHBondContact OD1-OG1 2.99Å; D189-T226 VanDerWaalsContact OD1-OG1 3.07Å; D189-T226 WeakPolarHBondContact OD2-CB 3.3Å; D189-T226 WeakPolarHBondContact OD2-CG2 3.32Å; D189-T226 PolarHBondContact OD2-OG1 2.97Å; D189-V227 WeakPolarHBondContact OD1-CB 3.47Å; D189-V227 PolarHBondContact OD1-N 3.48Å
190D85.3Confident81.2Confident37 Ų3739.3 Ų39.320%0.19821%0.207CC..  trans-82.188176.5-173.9-8000112.1A185 K188 N192 A193 V194 V227A185-D190 HydrophobicContact CB-CB 4.4Å; A185-D190 PolarHBondContact O-N 3.04Å; A185-D190 VanDerWaalsContact O-N 3.16Å; K188-D190 VanDerWaalsContact C-N 3.27Å; K188-D190 PolarHBondContact O-N 3.24Å; D190-N192 PolarHBondContact O-N 3.15Å; D190-N192 WeakPolarHBondContact OD1-CA 3.17Å; D190-N192 WeakPolarHBondContact OD1-CB 3.46Å; D190-N192 PolarHBondContact OD1-N 2.6Å; D190-A193 HydrophobicContact CB-CB 4.1Å; D190-A193 PolarHBondContact OD1-N 3.38Å; D190-A193 WeakPolarHBondContact OD2-CB 2.95Å; D190-V194 WeakPolarHBondContact O-CG2 3.27Å; D190-V194 PolarHBondContact O-N 2.74Å; D190-V227 VanDerWaalsContact C-CG2 3.42Å
191A85.4Confident81.1Confident25 Ų2541.9 Ų41.921%0.20723%0.233CC..Hα-helixtrans-61.6-24.6175.300000114D189 S195 V227 V230D189-A191 PolarHBondContact O-N 3.15Å; D189-A191 VanDerWaalsContact O-N 3.09Å; A191-S195 WeakPolarHBondContact O-CB 3.34Å; A191-S195 PolarHBondContact O-N 2.53Å; A191-S195 PolarHBondContact O-OG 3.25Å; A191-V227 HydrophobicContact CB-CG2 4.33Å; A191-V230 HydrophobicContact CB-CG2 4.07Å
192N82.6Confident80.7Confident120 Ų12049.7 Ų49.764%0.64227%0.269SS*.Hα-helixtrans-79.1-47.9179.5-69.5-39.8000110.7D190 S195 L196D190-N192 PolarHBondContact O-N 3.15Å; D190-N192 WeakPolarHBondContact OD1-CA 3.17Å; D190-N192 WeakPolarHBondContact OD1-CB 3.46Å; D190-N192 PolarHBondContact OD1-N 2.6Å; N192-S195 WeakPolarHBondContact O-CB 3.47Å; N192-S195 PolarHBondContact O-N 2.85Å; N192-S195 VanDerWaalsContact O-N 3.16Å; N192-L196 WeakPolarHBondContact O-CG 3.31Å; N192-L196 PolarHBondContact O-N 2.89Å
193A78.8Confident80Confident2 Ų251.1 Ų51.12%0.01728%0.278CS..Hα-helixtrans-61.6-43.5173.800000112.1L157 A185 D190 S195 L196 L197L157-A193 HydrophobicContact CD2-CB 3.28Å; A185-A193 HydrophobicContact CB-CB 3.99Å; D190-A193 HydrophobicContact CB-CB 4.1Å; D190-A193 PolarHBondContact OD1-N 3.38Å; D190-A193 WeakPolarHBondContact OD2-CB 2.95Å; A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 2.78Å; A193-L196 PolarHBondContact O-N 2.8Å; A193-L197 WeakPolarHBondContact O-CB 3.21Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.03Å
194V82.9Confident79.8Confident0 Ų054.3 Ų54.30%030%0.296CS..Hα-helixtrans-58.8-43.2173.1171.60000110.8L182 A185 D190 L196 L198 V227 V230 L231L182-V194 HydrophobicContact CD1-CB 4.47Å; L182-V194 HydrophobicContact CD1-CG1 4.08Å; L182-V194 HydrophobicContact CD1-CG2 4.15Å; A185-V194 HydrophobicContact CB-CG2 3.55Å; D190-V194 WeakPolarHBondContact O-CG2 3.27Å; D190-V194 PolarHBondContact O-N 2.74Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.44Å; V194-L198 HydrophobicContact CG1-CD1 3.63Å; V194-L198 HydrophobicContact CG1-CG 4.34Å; V194-L198 VanDerWaalsContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 WeakPolarHBondContact O-CG 3.49Å; V194-L198 PolarHBondContact O-N 2.87Å; V194-V227 HydrophobicContact CB-CG1 4.45Å; V194-V227 HydrophobicContact CG1-CG1 4.44Å; V194-V227 HydrophobicContact CG2-CG1 3.72Å; V194-V227 HydrophobicContact CG2-CG2 4.1Å; V194-V230 HydrophobicContact CG1-CG1 3.87Å; V194-L231 HydrophobicContact CG1-CD2 3.87Å; V194-L231 HydrophobicContact CG1-CG 4.32Å
195S83.7Confident79.9Confident30 Ų3054.6 Ų54.621%0.2130%0.298CS..Hα-helixtrans-62.5-37.6176.8-70.20000113.4A191 N192 A193 N199 R234A191-S195 WeakPolarHBondContact O-CB 3.34Å; A191-S195 PolarHBondContact O-N 2.53Å; A191-S195 PolarHBondContact O-OG 3.25Å; N192-S195 WeakPolarHBondContact O-CB 3.47Å; N192-S195 PolarHBondContact O-N 2.85Å; N192-S195 VanDerWaalsContact O-N 3.16Å; A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 2.78Å; S195-N199 PolarHBondContact O-N 3.3Å; S195-N199 PolarHBondContact O-ND2 2.81Å; S195-N199 PolarHBondContact O-OD1 3Å; S195-R234 PolarHBondContact O-NH1 3.31Å; S195-R234 PolarHBondContact O-NH2 2.93Å
196L76.9Confident80Confident83 Ų8356 Ų5644%0.43531%0.305SS..Hα-helixtrans-75.6-44.6178.6-70.1168.2000112.2L169 N192 A193 V194 L198 N199L169-L196 HydrophobicContact CD1-CB 3.9Å; L169-L196 HydrophobicContact CD1-CD1 4.03Å; N192-L196 WeakPolarHBondContact O-CG 3.31Å; N192-L196 PolarHBondContact O-N 2.89Å; A193-L196 PolarHBondContact O-N 2.8Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.44Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 2.69Å; L196-N199 WeakPolarHBondContact O-CB 3.21Å; L196-N199 PolarHBondContact O-N 3.22Å; L196-N199 VanDerWaalsContact O-N 3.11Å
197L78.2Confident79.6Confident10 Ų1058.5 Ų58.55%0.05232%0.317CS..Hα-helixtrans-59.5-43176.3-70.8166.5000111.1L153 L157 L169 A181 L182 A185 A193 N199 N200L153-L197 HydrophobicContact CD2-CD2 4.29Å; L157-L197 HydrophobicContact CD1-CD1 4.31Å; L169-L197 HydrophobicContact CD2-CD2 4.23Å; A181-L197 HydrophobicContact CB-CD1 3.96Å; A181-L197 HydrophobicContact CB-CD2 4.03Å; L182-L197 HydrophobicContact CB-CD1 4.41Å; L182-L197 HydrophobicContact CD1-CB 4.48Å; L182-L197 HydrophobicContact CD1-CD1 4.47Å; A185-L197 HydrophobicContact CB-CD1 4.47Å; A193-L197 WeakPolarHBondContact O-CB 3.21Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.03Å; L197-N199 PolarHBondContact O-N 3.27Å; L197-N200 PolarHBondContact O-N 2.93Å
198L80Confident79.4Confident22 Ų2259.4 Ų59.412%0.11533%0.325CS..THydrogen-bonded Turntrans-82.710.9177.7-61.3177000114.1L182 V194 L196 V203 V205 L231 R234L182-L198 HydrophobicContact CD1-CD1 4.2Å; L182-L198 HydrophobicContact CD1-CD2 4.09Å; L182-L198 HydrophobicContact CD1-CG 3.97Å; L182-L198 HydrophobicContact CD2-CD2 3.94Å; V194-L198 HydrophobicContact CG1-CD1 3.63Å; V194-L198 HydrophobicContact CG1-CG 4.34Å; V194-L198 VanDerWaalsContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 WeakPolarHBondContact O-CG 3.49Å; V194-L198 PolarHBondContact O-N 2.87Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 2.69Å; L198-V203 HydrophobicContact CD2-CB 4.36Å; L198-V203 HydrophobicContact CD2-CG1 3.86Å; L198-V205 HydrophobicContact CD1-CG2 3.9Å; L198-V205 HydrophobicContact CD2-CB 4.09Å; L198-V205 HydrophobicContact CD2-CG2 4.3Å; L198-L231 HydrophobicContact CD1-CD2 4.11Å; L198-R234 VanDerWaalsContact C-NH1 3.25Å; L198-R234 HydrophobicContact CB-CG 4.42Å; L198-R234 HydrophobicContact CD1-CB 3.75Å; L198-R234 HydrophobicContact CD1-CG 3.88Å; L198-R234 PolarHBondContact O-NH1 3.09Å
199N77.3Confident79.1Confident107 Ų10756 Ų5657%0.57231%0.314SS*.THydrogen-bonded Turntrans-84.7-17165.2-71-17.6000112.1S195 L196 L197 R234S195-N199 PolarHBondContact O-N 3.3Å; S195-N199 PolarHBondContact O-ND2 2.81Å; S195-N199 PolarHBondContact O-OD1 3Å; L196-N199 WeakPolarHBondContact O-CB 3.21Å; L196-N199 PolarHBondContact O-N 3.22Å; L196-N199 VanDerWaalsContact O-N 3.11Å; L197-N199 PolarHBondContact O-N 3.27Å; N199-R234 PolarHBondContact OD1-NH1 2.75Å; N199-R234 PolarHBondContact OD1-NH2 2.59Å
200N67.6Low78.1Confident64 Ų6462 Ų6234%0.34234%0.341SS..SBendtrans-84.7119.4169.4-175.7-4.2000109.7L197 E202 V203L197-N200 PolarHBondContact O-N 2.93Å; N200-E202 PolarHBondContact O-N 3.17Å; N200-E202 VanDerWaalsContact O-N 3.1Å; N200-E202 PolarHBondContact OD1-N 3.29Å; N200-E202 VanDerWaalsContact OD1-N 3.16Å; N200-V203 HydrophobicContact CB-CG2 4.11Å; N200-V203 PolarHBondContact O-N 2.86Å; N200-V203 VanDerWaalsContact O-N 3.13Å
201A63.8Low77.4Confident108 Ų10862.3 Ų62.389%0.89334%0.344SS*.THydrogen-bonded Turntrans-63.7-13.5-177.500000114.6
202E65.4Low77.2Confident164 Ų16461.2 Ų61.277%0.76634%0.336SS*.THydrogen-bonded Turntrans-81.8-11.2176.3-61.2-175.8172.100113.6N200 N204N200-E202 PolarHBondContact O-N 3.17Å; N200-E202 VanDerWaalsContact O-N 3.1Å; N200-E202 PolarHBondContact OD1-N 3.29Å; N200-E202 VanDerWaalsContact OD1-N 3.16Å; E202-N204 PolarHBondContact O-N 3.36Å
203V69.2Low77.5Confident32 Ų3257.8 Ų57.819%0.19432%0.316CS..  trans-88107.7-175.7-177.70000111.4L182 L198 N200 V205L182-V203 HydrophobicContact CD2-CG1 4.08Å; L198-V203 HydrophobicContact CD2-CB 4.36Å; L198-V203 HydrophobicContact CD2-CG1 3.86Å; N200-V203 HydrophobicContact CB-CG2 4.11Å; N200-V203 PolarHBondContact O-N 2.86Å; N200-V203 VanDerWaalsContact O-N 3.13Å; V203-V205 PolarHBondContact O-N 3.35Å
204N79.1Confident78.1Confident91 Ų9157.7 Ų57.749%0.48732%0.315SS..  trans-68.7111.3175.3-179.64.2000111.7E202 N206 H207E202-N204 PolarHBondContact O-N 3.36Å; N204-N206 PolarHBondContact O-N 2.78Å; N204-N206 WeakPolarHBondContact OD1-CA 3.36Å; N204-N206 PolarHBondContact OD1-N 3.48Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 VanDerWaalsContact O-CB 3.26Å; N204-H207 WeakPolarHBondContact O-CB 3.48Å; N204-H207 PolarHBondContact O-N 3.36Å
205V86.1Confident78.5Confident16 Ų1657.7 Ų57.710%0.09732%0.315CS..THydrogen-bonded Turntrans-59-26.2176.368.90000113.8L198 V203 P215 L231 R234 G235 A236L198-V205 HydrophobicContact CD1-CG2 3.9Å; L198-V205 HydrophobicContact CD2-CB 4.09Å; L198-V205 HydrophobicContact CD2-CG2 4.3Å; V203-V205 PolarHBondContact O-N 3.35Å; V205-P215 WeakPolarHBondContact O-CD 3.34Å; V205-L231 HydrophobicContact CG2-CD2 3.91Å; V205-R234 HydrophobicContact CG2-CB 4.46Å; V205-G235 WeakPolarHBondContact CG1-O 3.44Å; V205-A236 HydrophobicContact CG2-CB 3.98Å
206N87.6Confident79Confident30 Ų3056.3 Ų56.316%0.1631%0.305CS..THydrogen-bonded Turntrans-101.725.1176.7-63.7-56.5000112.6N204 T214 G235 A236 D237 F240N204-N206 PolarHBondContact O-N 2.78Å; N204-N206 WeakPolarHBondContact OD1-CA 3.36Å; N204-N206 PolarHBondContact OD1-N 3.48Å; N206-T214 HydrophobicContact CB-CG2 4.43Å; N206-G235 PolarHBondContact ND2-O 2.67Å; N206-A236 WeakPolarHBondContact OD1-CA 3.46Å; N206-D237 PolarHBondContact OD1-N 3.1Å; N206-F240 HydrophobicContact CB-CD2 4.37Å; N206-F240 HydrophobicContact CB-CE2 4.29Å
207H81.5Confident79.9Confident54 Ų5452.4 Ų52.425%0.2529%0.285CS..PPolyproline II helixtrans-57.6140.2173.5175.458.8000111.6L179 H183 N204 T214 P215L179-H207 HydrophobicContact CD2-CB 4.44Å; H183-H207 AromaticContact CE1-CD2 3.71Å; H183-H207 PolarHBondContact CE1-O 2.94Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 VanDerWaalsContact O-CB 3.26Å; N204-H207 WeakPolarHBondContact O-CB 3.48Å; N204-H207 PolarHBondContact O-N 3.36Å; H207-T214 WeakPolarHBondContact O-CA 3.25Å; H207-P215 VanDerWaalsContact O-CD 3.31Å; H207-P215 WeakPolarHBondContact O-CD 3.21Å
208Q82.6Confident80.5Confident96 Ų9652.4 Ų52.445%0.44929%0.285SS..PPolyproline II helixtrans-101.6134.2-176.5-67.1179.7-2.900112.3F213 F240Q208-F213 WeakPolarHBondContact CA-O 3.19Å; Q208-F240 HydrophobicContact CG-CE1 4.34Å; Q208-F240 HydrophobicContact CG-CZ 4.47Å; Q208-F240 VanDerWaalsContact NE2-CE1 3.28Å; Q208-F240 VanDerWaalsContact NE2-CZ 3.28Å
209S78.7Confident81.2Confident36 Ų3651.3 Ų51.325%0.25228%0.279SS..PPolyproline II helixtrans-73.4172.8160.564.90000111.9P211 G212 F213S209-P211 WeakPolarHBondContact OG-CD 3.41Å; S209-G212 WeakPolarHBondContact O-CA 3.43Å; S209-G212 PolarHBondContact O-N 3.35Å; S209-F213 PolarHBondContact N-O 3.33Å; S209-F213 PolarHBondContact OG-O 3.01Å; S209-F213 VanDerWaalsContact OG-O 3.09Å
210Q67.5Low82.1Confident176 Ų17646.2 Ų46.282%0.82225%0.252SS*.THydrogen-bonded Turntrans-52.1-39-178-60.6-168.813.800116G212 K243Q210-G212 PolarHBondContact O-N 3.07Å; Q210-K243 WeakPolarHBondContact O-CE 3.34Å; Q210-K243 PolarHBondContact O-NZ 3.03Å
211P70.5Confident83.3Confident42 Ų4244.8 Ų44.827%0.27324%0.243SC..THydrogen-bonded Turntrans-73.9-3.6172.327.8-35.8000114.9S209 F213 K243S209-P211 WeakPolarHBondContact OG-CD 3.41Å; P211-F213 HydrophobicContact CG-CB 4.47Å; P211-F213 HydrophobicContact CG-CD2 4.02Å; P211-F213 HydrophobicContact CG-CG 4.26Å; P211-K243 WeakPolarHBondContact O-CD 3.44Å; P211-K243 WeakPolarHBondContact O-CG 3.47Å
212G81.8Confident84.6Confident3 Ų342.9 Ų42.93%0.03122%0.215CC..SBendtrans90.44.5-175.700000114.3S209 Q210 A242S209-G212 WeakPolarHBondContact O-CA 3.43Å; S209-G212 PolarHBondContact O-N 3.35Å; Q210-G212 PolarHBondContact O-N 3.07Å; G212-A242 WeakPolarHBondContact O-CB 3.29Å
213F88.5Confident85.8Confident48 Ų4836.2 Ų36.221%0.21119%0.19CC..  trans-74.4138.8178-70.2-18.3000111.4H183 Q208 S209 P211 H217 A242 I246H183-F213 PolarHBondContact NE2-O 2.92Å; Q208-F213 WeakPolarHBondContact CA-O 3.19Å; S209-F213 PolarHBondContact N-O 3.33Å; S209-F213 PolarHBondContact OG-O 3.01Å; S209-F213 VanDerWaalsContact OG-O 3.09Å; P211-F213 HydrophobicContact CG-CB 4.47Å; P211-F213 HydrophobicContact CG-CD2 4.02Å; P211-F213 HydrophobicContact CG-CG 4.26Å; F213-H217 HydrophobicContact CB-CB 3.72Å; F213-H217 HydrophobicContact CD1-CB 4.08Å; F213-H217 AromaticContact CD1-CD2 3.67Å; F213-H217 AromaticContact CD1-CG 3.99Å; F213-H217 HydrophobicContact CG-CB 3.94Å; F213-A242 HydrophobicContact CD1-CB 3.7Å; F213-A242 HydrophobicContact CE1-CB 4.09Å; F213-I246 HydrophobicContact CE1-CG2 4.32Å
214T91.6Very high87Confident0 Ų035.8 Ų35.80%019%0.187CC..  trans-89.4172.3172.963.40000111.7N206 H207 L216 H217 T218 F240N206-T214 HydrophobicContact CB-CG2 4.43Å; H207-T214 WeakPolarHBondContact O-CA 3.25Å; T214-L216 PolarHBondContact O-N 3.01Å; T214-L216 PolarHBondContact OG1-N 3.34Å; T214-H217 PolarHBondContact N-ND1 3.21Å; T214-H217 WeakPolarHBondContact O-CB 3.29Å; T214-H217 PolarHBondContact O-N 3.27Å; T214-H217 VanDerWaalsContact O-N 3.12Å; T214-H217 PolarHBondContact OG1-N 3.23Å; T214-H217 PolarHBondContact OG1-ND1 2.85Å; T214-T218 PolarHBondContact O-N 2.82Å; T214-T218 PolarHBondContact O-OG1 3.08Å; T214-F240 HydrophobicContact CG2-CD1 3.67Å; T214-F240 HydrophobicContact CG2-CD2 4.45Å; T214-F240 HydrophobicContact CG2-CE1 3.96Å; T214-F240 HydrophobicContact CG2-CG 3.95Å; T214-F240 HydrophobicContact CG2-CZ 4.46Å
215P90.8Very high87.7Confident0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-54-35.3168.8-28.936.2000112.7L182 A186 V205 H207 T218 A219 L231L182-P215 HydrophobicContact CD2-CG 3.68Å; L182-P215 HydrophobicContact CG-CB 4.19Å; L182-P215 HydrophobicContact CG-CG 3.72Å; A186-P215 HydrophobicContact CB-CB 4.01Å; V205-P215 WeakPolarHBondContact O-CD 3.34Å; H207-P215 VanDerWaalsContact O-CD 3.31Å; H207-P215 WeakPolarHBondContact O-CD 3.21Å; P215-T218 WeakPolarHBondContact O-CB 3.4Å; P215-T218 PolarHBondContact O-N 2.86Å; P215-A219 PolarHBondContact O-N 2.98Å; P215-L231 HydrophobicContact CB-CD1 3.78Å; P215-L231 HydrophobicContact CB-CD2 3.91Å
216L95.1Very high88.1Confident1 Ų136.1 Ų36.11%0.00519%0.192CC..Hα-helixtrans-70.2-37.1177.2-173.260.7000112.6T214 T218 A219 A220 A228 L231 I232 A236 V238 P248 L264T214-L216 PolarHBondContact O-N 3.01Å; T214-L216 PolarHBondContact OG1-N 3.34Å; L216-T218 VanDerWaalsContact C-N 3.27Å; L216-T218 PolarHBondContact O-N 2.94Å; L216-A219 PolarHBondContact O-N 3.15Å; L216-A220 WeakPolarHBondContact O-CB 3.3Å; L216-A220 PolarHBondContact O-N 3.5Å; L216-A228 HydrophobicContact CD1-CB 3.79Å; L216-L231 HydrophobicContact CB-CD1 4.38Å; L216-I232 HydrophobicContact CD1-CD1 4.25Å; L216-I232 HydrophobicContact CD1-CG1 4.19Å; L216-I232 HydrophobicContact CD2-CD1 4.47Å; L216-I232 HydrophobicContact CD2-CG1 4.09Å; L216-A236 HydrophobicContact CB-CB 4.25Å; L216-A236 HydrophobicContact CD2-CB 4.07Å; L216-V238 HydrophobicContact CD2-CG2 4.41Å; L216-P248 HydrophobicContact CD2-CG 4.2Å; L216-P248 HydrophobicContact CG-CB 4.28Å; L216-P248 HydrophobicContact CG-CG 4.16Å; L216-L264 HydrophobicContact CD1-CD2 4.38Å; L216-L264 HydrophobicContact CD2-CD2 4.29Å; L216-L264 HydrophobicContact CG-CD2 4.46Å
217H94.6Very high88.3Confident1 Ų134.7 Ų34.71%0.00519%0.185CC..Hα-helixtrans-61.6-37.9168.8-75.382.8000111.8F213 T214 A220 H221 F240 I246F213-H217 HydrophobicContact CB-CB 3.72Å; F213-H217 HydrophobicContact CD1-CB 4.08Å; F213-H217 AromaticContact CD1-CD2 3.67Å; F213-H217 AromaticContact CD1-CG 3.99Å; F213-H217 HydrophobicContact CG-CB 3.94Å; T214-H217 PolarHBondContact N-ND1 3.21Å; T214-H217 WeakPolarHBondContact O-CB 3.29Å; T214-H217 PolarHBondContact O-N 3.27Å; T214-H217 VanDerWaalsContact O-N 3.12Å; T214-H217 PolarHBondContact OG1-N 3.23Å; T214-H217 PolarHBondContact OG1-ND1 2.85Å; H217-A220 PolarHBondContact O-N 2.93Å; H217-H221 PolarHBondContact O-N 3.48Å; H217-F240 PolarHBondContact CE1-O 3.21Å; H217-I246 PolarHBondContact NE2-O 3.22Å
218T91.7Very high88.9Confident9 Ų932.1 Ų32.16%0.05517%0.173CC..Hα-helixtrans-68.5-45.6178.4-62.60000111.3R187 T214 P215 L216 A220 H221 F222R187-T218 HydrophobicContact CB-CG2 4.05Å; T214-T218 PolarHBondContact O-N 2.82Å; T214-T218 PolarHBondContact O-OG1 3.08Å; P215-T218 WeakPolarHBondContact O-CB 3.4Å; P215-T218 PolarHBondContact O-N 2.86Å; L216-T218 VanDerWaalsContact C-N 3.27Å; L216-T218 PolarHBondContact O-N 2.94Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 2.79Å; T218-H221 WeakPolarHBondContact O-CB 3.44Å; T218-H221 PolarHBondContact O-N 3.31Å; T218-F222 HydrophobicContact CG2-CD2 4.19Å; T218-F222 HydrophobicContact CG2-CE2 4.07Å; T218-F222 VanDerWaalsContact O-CD2 3.24Å; T218-F222 WeakPolarHBondContact O-CD2 3.48Å; T218-F222 PolarHBondContact O-N 3.11Å
219A94.6Very high89.5Confident0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-60.2-41.1172.400000111.4P215 L216 H221 F222 G223 N224 A228 L231 M260P215-A219 PolarHBondContact O-N 2.98Å; L216-A219 PolarHBondContact O-N 3.15Å; A219-H221 VanDerWaalsContact C-N 3.35Å; A219-H221 PolarHBondContact O-N 2.99Å; A219-F222 PolarHBondContact O-N 3.33Å; A219-G223 PolarHBondContact O-N 3.23Å; A219-N224 HydrophobicContact CB-CB 4.09Å; A219-N224 PolarHBondContact O-N 2.98Å; A219-A228 HydrophobicContact CB-CB 4.03Å; A219-L231 HydrophobicContact CB-CD1 4.38Å; A219-M260 HydrophobicContact CB-CE 4.41Å; A219-M260 VanDerWaalsContact O-CE 3.32Å; A219-M260 WeakPolarHBondContact O-CE 3.28Å
220A95.1Very high90.2Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-66-31.3179.500000114.4L216 H217 T218 P248 V251 A252 R257 M260L216-A220 WeakPolarHBondContact O-CB 3.3Å; L216-A220 PolarHBondContact O-N 3.5Å; H217-A220 PolarHBondContact O-N 2.93Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 2.79Å; A220-P248 HydrophobicContact CB-CB 4.08Å; A220-V251 HydrophobicContact CB-CG1 4.44Å; A220-A252 HydrophobicContact CB-CB 4.36Å; A220-R257 WeakPolarHBondContact O-CG 3.38Å; A220-M260 HydrophobicContact CB-CG 4.02Å; A220-M260 HydrophobicContact CB-SD 4.23Å
221H93Very high91.4Very high33 Ų3324 Ų2415%0.15313%0.127CC..Hα-helixtrans-65.6-46.8173.7178.1-81.5000112.4H217 T218 A219 V251 W255 R257H217-H221 PolarHBondContact O-N 3.48Å; T218-H221 WeakPolarHBondContact O-CB 3.44Å; T218-H221 PolarHBondContact O-N 3.31Å; A219-H221 VanDerWaalsContact C-N 3.35Å; A219-H221 PolarHBondContact O-N 2.99Å; H221-V251 HydrophobicContact CB-CG1 3.83Å; H221-W255 AromaticContact CD2-CD1 3.95Å; H221-W255 AromaticContact CD2-CE2 3.83Å; H221-W255 AromaticContact CD2-NE1 3.43Å; H221-W255 PolarHBondContact CD2-NE1 2.9Å; H221-W255 AromaticContact NE2-CE2 3.7Å; H221-W255 AromaticContact NE2-CZ2 3.68Å; H221-W255 AromaticContact NE2-NE1 3.8Å; H221-R257 PolarHBondContact O-NE 2.88Å; H221-R257 PolarHBondContact O-NH2 3.43Å
222F90.9Very high92.5Very high68 Ų6823.9 Ų23.930%0.29812%0.124SC..Hα-helixtrans-84-21.4-177.4-66.2-68.3000113.3R187 T218 A219 N224 R257 K1833R187-F222 HydrophobicContact CB-CD2 4.26Å; R187-F222 HydrophobicContact CB-CE2 4.02Å; R187-F222 HydrophobicContact CG-CD2 4.1Å; R187-F222 HydrophobicContact CG-CE2 3.63Å; R187-F222 HydrophobicContact CG-CZ 4Å; T218-F222 HydrophobicContact CG2-CD2 4.19Å; T218-F222 HydrophobicContact CG2-CE2 4.07Å; T218-F222 VanDerWaalsContact O-CD2 3.24Å; T218-F222 WeakPolarHBondContact O-CD2 3.48Å; T218-F222 PolarHBondContact O-N 3.11Å; A219-F222 PolarHBondContact O-N 3.33Å; F222-N224 WeakPolarHBondContact CB-OD1 3.32Å; F222-R257 PolarHBondContact O-NE 2.92Å; F222-K1833 HydrophobicContact CZ-CD 4.09Å
223G92.3Very high93Very high24 Ų2430.5 Ų30.525%0.24715%0.154CC..THydrogen-bonded Turntrans89.622.6-175.600000113.4A219 V225A219-G223 PolarHBondContact O-N 3.23Å; G223-V225 VanDerWaalsContact C-N 3.34Å; G223-V225 WeakPolarHBondContact O-CG2 3.39Å; G223-V225 PolarHBondContact O-N 3.23Å
224N94.4Very high93.1Very high24 Ų2432.4 Ų32.413%0.12816%0.159CC..  trans-77.576.6-171.6-700.8000111.4A186 R187 D189 A219 F222 T226 A228 M260A186-N224 PolarHBondContact O-ND2 3.5Å; R187-N224 PolarHBondContact O-ND2 2.79Å; D189-N224 HydrophobicContact CB-CB 3.97Å; D189-N224 VanDerWaalsContact OD1-CB 3.29Å; D189-N224 WeakPolarHBondContact OD1-CB 3.23Å; A219-N224 HydrophobicContact CB-CB 4.09Å; A219-N224 PolarHBondContact O-N 2.98Å; F222-N224 WeakPolarHBondContact CB-OD1 3.32Å; N224-T226 VanDerWaalsContact C-N 3.32Å; N224-T226 PolarHBondContact O-N 2.83Å; N224-A228 VanDerWaalsContact O-CB 3.25Å; N224-A228 WeakPolarHBondContact O-CB 3.37Å; N224-A228 PolarHBondContact O-N 3.17Å; N224-M260 VanDerWaalsContact C-CE 3.45Å; N224-M260 WeakPolarHBondContact O-CE 3.05Å
225V93.7Very high93Very high42 Ų4234.7 Ų34.726%0.25518%0.183SC..Hα-helixtrans-65.2-30.3-171.8-1800000112.5G223 R229 M260 L263G223-V225 VanDerWaalsContact C-N 3.34Å; G223-V225 WeakPolarHBondContact O-CG2 3.39Å; G223-V225 PolarHBondContact O-N 3.23Å; V225-R229 WeakPolarHBondContact O-CB 3.28Å; V225-R229 PolarHBondContact O-N 2.95Å; V225-R229 VanDerWaalsContact O-N 3.11Å; V225-M260 HydrophobicContact CG2-CE 4.28Å; V225-L263 HydrophobicContact CG1-CB 4.47Å; V225-L263 HydrophobicContact CG1-CD2 4.04Å
226T93.1Very high93.1Very high72 Ų7235.1 Ų35.144%0.44219%0.186SC..Hα-helixtrans-74.9-46-176.1820000111D189 N224 R229 V230D189-T226 PolarHBondContact OD1-N 2.93Å; D189-T226 PolarHBondContact OD1-OG1 2.99Å; D189-T226 VanDerWaalsContact OD1-OG1 3.07Å; D189-T226 WeakPolarHBondContact OD2-CB 3.3Å; D189-T226 WeakPolarHBondContact OD2-CG2 3.32Å; D189-T226 PolarHBondContact OD2-OG1 2.97Å; N224-T226 VanDerWaalsContact C-N 3.32Å; N224-T226 PolarHBondContact O-N 2.83Å; T226-R229 WeakPolarHBondContact O-CB 3.37Å; T226-R229 PolarHBondContact O-N 2.93Å; T226-V230 PolarHBondContact O-N 3.46Å
227V92.6Very high93Very high0 Ų038.3 Ų38.30%020%0.203CC..Hα-helixtrans-67.7-40171.7168.10000111.9A186 D189 D190 A191 V194 R229 V230 L231A186-V227 HydrophobicContact CB-CG1 3.97Å; D189-V227 WeakPolarHBondContact OD1-CB 3.47Å; D189-V227 PolarHBondContact OD1-N 3.48Å; D190-V227 VanDerWaalsContact C-CG2 3.42Å; A191-V227 HydrophobicContact CB-CG2 4.33Å; V194-V227 HydrophobicContact CB-CG1 4.45Å; V194-V227 HydrophobicContact CG1-CG1 4.44Å; V194-V227 HydrophobicContact CG2-CG1 3.72Å; V194-V227 HydrophobicContact CG2-CG2 4.1Å; V227-R229 PolarHBondContact O-N 3.3Å; V227-V230 PolarHBondContact O-N 2.86Å; V227-V230 VanDerWaalsContact O-N 3.08Å; V227-L231 HydrophobicContact CG1-CD1 3.67Å; V227-L231 HydrophobicContact CG1-CG 3.82Å; V227-L231 WeakPolarHBondContact O-CB 3.47Å; V227-L231 WeakPolarHBondContact O-CG 3.39Å; V227-L231 PolarHBondContact O-N 2.88Å
228A94.2Very high93Very high0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-57.7-37.3176.900000112.1L216 A219 N224 I232 M260 L263L216-A228 HydrophobicContact CD1-CB 3.79Å; A219-A228 HydrophobicContact CB-CB 4.03Å; N224-A228 VanDerWaalsContact O-CB 3.25Å; N224-A228 WeakPolarHBondContact O-CB 3.37Å; N224-A228 PolarHBondContact O-N 3.17Å; A228-I232 WeakPolarHBondContact O-CD1 3.31Å; A228-I232 WeakPolarHBondContact O-CG1 3.36Å; A228-I232 PolarHBondContact O-N 3.16Å; A228-M260 HydrophobicContact CB-CE 3.63Å; A228-M260 HydrophobicContact CB-SD 3.62Å; A228-L263 HydrophobicContact CB-CD2 3.6Å
229R95.1Very high93.1Very high118 Ų11840.2 Ų40.245%0.44521%0.214SC..Hα-helixtrans-61.6-51.5172.1-178.6-177.1-48.7-66.5-7.8111.7V225 T226 V227 L231 I232 E233 L263V225-R229 WeakPolarHBondContact O-CB 3.28Å; V225-R229 PolarHBondContact O-N 2.95Å; V225-R229 VanDerWaalsContact O-N 3.11Å; T226-R229 WeakPolarHBondContact O-CB 3.37Å; T226-R229 PolarHBondContact O-N 2.93Å; V227-R229 PolarHBondContact O-N 3.3Å; R229-L231 VanDerWaalsContact C-N 3.31Å; R229-L231 PolarHBondContact O-N 3.48Å; R229-I232 PolarHBondContact O-N 3.16Å; R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.4Å; R229-E233 WeakPolarHBondContact CG-OE1 3.07Å; R229-E233 WeakPolarHBondContact O-CB 3.47Å; R229-E233 WeakPolarHBondContact O-CG 3.49Å; R229-E233 PolarHBondContact O-N 3.15Å; R229-L263 HydrophobicContact CB-CD2 4.38Å
230V92.5Very high93.1Very high20 Ų2042.3 Ų42.312%0.12122%0.223CC..Hα-helixtrans-60.9-40.11791770000111.5A191 V194 T226 V227 E233 R234A191-V230 HydrophobicContact CB-CG2 4.07Å; V194-V230 HydrophobicContact CG1-CG1 3.87Å; T226-V230 PolarHBondContact O-N 3.46Å; V227-V230 PolarHBondContact O-N 2.86Å; V227-V230 VanDerWaalsContact O-N 3.08Å; V230-E233 PolarHBondContact O-N 3.11Å; V230-R234 HydrophobicContact CG1-CG 4.2Å; V230-R234 WeakPolarHBondContact O-CB 3.42Å; V230-R234 WeakPolarHBondContact O-CG 3.34Å; V230-R234 PolarHBondContact O-N 3.37Å
231L93.2Very high93Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-60.6-46.5175.8-73.1173.1000111.5L182 A186 V194 L198 V205 P215 L216 A219 V227 R229 R234 G235 A236L182-L231 HydrophobicContact CD1-CD2 4.37Å; A186-L231 HydrophobicContact CB-CD1 4.3Å; V194-L231 HydrophobicContact CG1-CD2 3.87Å; V194-L231 HydrophobicContact CG1-CG 4.32Å; L198-L231 HydrophobicContact CD1-CD2 4.11Å; V205-L231 HydrophobicContact CG2-CD2 3.91Å; P215-L231 HydrophobicContact CB-CD1 3.78Å; P215-L231 HydrophobicContact CB-CD2 3.91Å; L216-L231 HydrophobicContact CB-CD1 4.38Å; A219-L231 HydrophobicContact CB-CD1 4.38Å; V227-L231 HydrophobicContact CG1-CD1 3.67Å; V227-L231 HydrophobicContact CG1-CG 3.82Å; V227-L231 WeakPolarHBondContact O-CB 3.47Å; V227-L231 WeakPolarHBondContact O-CG 3.39Å; V227-L231 PolarHBondContact O-N 2.88Å; R229-L231 VanDerWaalsContact C-N 3.31Å; R229-L231 PolarHBondContact O-N 3.48Å; L231-R234 CarbonylContact O-C 3.57Å; L231-R234 PolarHBondContact O-N 3.03Å; L231-G235 PolarHBondContact O-N 2.97Å; L231-G235 VanDerWaalsContact O-N 3.17Å; L231-A236 VanDerWaalsContact C-CB 3.49Å; L231-A236 HydrophobicContact CB-CB 3.85Å; L231-A236 WeakPolarHBondContact O-CB 3.28Å; L231-A236 PolarHBondContact O-N 3.44Å
232I94.2Very high92.8Very high39 Ų3945.8 Ų45.820%0.224%0.24CC..Hα-helixtrans-65.3-44.3178.1-67.5166.7000110.7L216 A228 R229 R234 G235 V238 L263 L264L216-I232 HydrophobicContact CD1-CD1 4.25Å; L216-I232 HydrophobicContact CD1-CG1 4.19Å; L216-I232 HydrophobicContact CD2-CD1 4.47Å; L216-I232 HydrophobicContact CD2-CG1 4.09Å; A228-I232 WeakPolarHBondContact O-CD1 3.31Å; A228-I232 WeakPolarHBondContact O-CG1 3.36Å; A228-I232 PolarHBondContact O-N 3.16Å; R229-I232 PolarHBondContact O-N 3.16Å; I232-R234 PolarHBondContact O-N 2.93Å; I232-G235 PolarHBondContact O-N 2.94Å; I232-V238 HydrophobicContact CD1-CG2 3.89Å; I232-V238 HydrophobicContact CG1-CG2 3.83Å; I232-V238 HydrophobicContact CG2-CG2 4.21Å; I232-L263 HydrophobicContact CD1-CD2 4.34Å; I232-L263 HydrophobicContact CD1-CG 4.3Å; I232-L264 HydrophobicContact CD1-CD2 4.46Å
233E92.2Very high92.4Very high141 Ų14148.9 Ų48.966%0.65925%0.254SS*.Hα-helixtrans-61.9-23.4174.5-72.3171-172.500113.1R229 V230R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.4Å; R229-E233 WeakPolarHBondContact CG-OE1 3.07Å; R229-E233 WeakPolarHBondContact O-CB 3.47Å; R229-E233 WeakPolarHBondContact O-CG 3.49Å; R229-E233 PolarHBondContact O-N 3.15Å; V230-E233 PolarHBondContact O-N 3.11Å
234R89.7Confident92.1Very high89 Ų8951.2 Ų51.234%0.33626%0.261SS..THydrogen-bonded Turntrans-97.19.6174.5-61.6-77.3-175.1122.66.7113.6S195 L198 N199 V205 V230 L231 I232S195-R234 PolarHBondContact O-NH1 3.31Å; S195-R234 PolarHBondContact O-NH2 2.93Å; L198-R234 VanDerWaalsContact C-NH1 3.25Å; L198-R234 HydrophobicContact CB-CG 4.42Å; L198-R234 HydrophobicContact CD1-CB 3.75Å; L198-R234 HydrophobicContact CD1-CG 3.88Å; L198-R234 PolarHBondContact O-NH1 3.09Å; N199-R234 PolarHBondContact OD1-NH1 2.75Å; N199-R234 PolarHBondContact OD1-NH2 2.59Å; V205-R234 HydrophobicContact CG2-CB 4.46Å; V230-R234 HydrophobicContact CG1-CG 4.2Å; V230-R234 WeakPolarHBondContact O-CB 3.42Å; V230-R234 WeakPolarHBondContact O-CG 3.34Å; V230-R234 PolarHBondContact O-N 3.37Å; L231-R234 CarbonylContact O-C 3.57Å; L231-R234 PolarHBondContact O-N 3.03Å; I232-R234 PolarHBondContact O-N 2.93Å
235G89.9Confident91.9Very high48 Ų4853.6 Ų53.650%0.49527%0.273SS..THydrogen-bonded Turntrans92.122.1172.900000116.4V205 N206 L231 I232V205-G235 WeakPolarHBondContact CG1-O 3.44Å; N206-G235 PolarHBondContact ND2-O 2.67Å; L231-G235 PolarHBondContact O-N 2.97Å; L231-G235 VanDerWaalsContact O-N 3.17Å; I232-G235 PolarHBondContact O-N 2.94Å
236A92.5Very high91.9Very high8 Ų853.6 Ų53.67%0.06627%0.271CS..  trans-64133.7168.100000111.1V205 N206 L216 L231 V238V205-A236 HydrophobicContact CG2-CB 3.98Å; N206-A236 WeakPolarHBondContact OD1-CA 3.46Å; L216-A236 HydrophobicContact CB-CB 4.25Å; L216-A236 HydrophobicContact CD2-CB 4.07Å; L231-A236 VanDerWaalsContact C-CB 3.49Å; L231-A236 HydrophobicContact CB-CB 3.85Å; L231-A236 WeakPolarHBondContact O-CB 3.28Å; L231-A236 PolarHBondContact O-N 3.44Å; A236-V238 PolarHBondContact O-N 3.22Å
237D93.2Very high92Very high68 Ų6850.2 Ų50.236%0.36425%0.251SS..  trans-77.8112.9177.7172.916.1000110.4N206 N239 F240N206-D237 PolarHBondContact OD1-N 3.1Å; D237-N239 PolarHBondContact O-N 3.07Å; D237-N239 PolarHBondContact OD1-N 3.4Å; D237-F240 HydrophobicContact CB-CB 3.96Å; D237-F240 HydrophobicContact CB-CD2 4.06Å; D237-F240 VanDerWaalsContact CG-N 3.33Å; D237-F240 WeakPolarHBondContact O-CB 3.45Å; D237-F240 PolarHBondContact O-N 2.83Å; D237-F240 PolarHBondContact OD1-N 3.44Å; D237-F240 VanDerWaalsContact OD2-CA 3.24Å; D237-F240 WeakPolarHBondContact OD2-CA 3.5Å; D237-F240 PolarHBondContact OD2-N 3.36Å
238V94.9Very high92.2Very high11 Ų1150.2 Ų50.27%0.06725%0.251CS..THydrogen-bonded Turntrans-62.5-26.9179.6176.20000112.4L216 I232 A236 P248 L264 A269L216-V238 HydrophobicContact CD2-CG2 4.41Å; I232-V238 HydrophobicContact CD1-CG2 3.89Å; I232-V238 HydrophobicContact CG1-CG2 3.83Å; I232-V238 HydrophobicContact CG2-CG2 4.21Å; A236-V238 PolarHBondContact O-N 3.22Å; V238-P248 WeakPolarHBondContact O-CD 3.16Å; V238-L264 HydrophobicContact CG1-CB 4.47Å; V238-L264 HydrophobicContact CG1-CD2 3.99Å; V238-A269 HydrophobicContact CG1-CB 3.63Å
239N94.5Very high92.3Very high39 Ų3950.2 Ų50.221%0.20925%0.251CS..THydrogen-bonded Turntrans-107.610-177.2-68.1-67.4000113.3D237 Q241 N268 A269 L270D237-N239 PolarHBondContact O-N 3.07Å; D237-N239 PolarHBondContact OD1-N 3.4Å; N239-Q241 PolarHBondContact O-N 2.92Å; N239-N268 PolarHBondContact ND2-O 2.96Å; N239-A269 WeakPolarHBondContact OD1-CA 3.43Å; N239-L270 WeakPolarHBondContact OD1-CB 3.46Å; N239-L270 WeakPolarHBondContact OD1-CG 3.42Å; N239-L270 PolarHBondContact OD1-N 2.85Å
240F93.6Very high92.4Very high44 Ų4444.9 Ų44.919%0.19323%0.231CC..  trans-53.7133.7-175.7-162.7-81.4000111.5N206 Q208 T214 H217 D237 P248N206-F240 HydrophobicContact CB-CD2 4.37Å; N206-F240 HydrophobicContact CB-CE2 4.29Å; Q208-F240 HydrophobicContact CG-CE1 4.34Å; Q208-F240 HydrophobicContact CG-CZ 4.47Å; Q208-F240 VanDerWaalsContact NE2-CE1 3.28Å; Q208-F240 VanDerWaalsContact NE2-CZ 3.28Å; T214-F240 HydrophobicContact CG2-CD1 3.67Å; T214-F240 HydrophobicContact CG2-CD2 4.45Å; T214-F240 HydrophobicContact CG2-CE1 3.96Å; T214-F240 HydrophobicContact CG2-CG 3.95Å; T214-F240 HydrophobicContact CG2-CZ 4.46Å; H217-F240 PolarHBondContact CE1-O 3.21Å; D237-F240 HydrophobicContact CB-CB 3.96Å; D237-F240 HydrophobicContact CB-CD2 4.06Å; D237-F240 VanDerWaalsContact CG-N 3.33Å; D237-F240 WeakPolarHBondContact O-CB 3.45Å; D237-F240 PolarHBondContact O-N 2.83Å; D237-F240 PolarHBondContact OD1-N 3.44Å; D237-F240 VanDerWaalsContact OD2-CA 3.24Å; D237-F240 WeakPolarHBondContact OD2-CA 3.5Å; D237-F240 PolarHBondContact OD2-N 3.36Å; F240-P248 WeakPolarHBondContact O-CD 3.41Å
241Q92.3Very high92.5Very high100 Ų10044.3 Ų44.347%0.46723%0.227SC..  trans-101.1114.6-178.4-72.4-179.724.500111.3N239 N245 I246 T247N239-Q241 PolarHBondContact O-N 2.92Å; Q241-N245 HydrophobicContact CG-CB 4.48Å; Q241-I246 WeakPolarHBondContact CA-O 3.42Å; Q241-T247 HydrophobicContact CG-CG2 3.92Å
242A88.9Confident92.6Very high7 Ų744.3 Ų44.36%0.05823%0.227CC..  trans-77.5-173.8165.500000110.9G212 F213 N245 I246G212-A242 WeakPolarHBondContact O-CB 3.29Å; F213-A242 HydrophobicContact CD1-CB 3.7Å; F213-A242 HydrophobicContact CE1-CB 4.09Å; A242-N245 PolarHBondContact O-N 3.41Å; A242-N245 VanDerWaalsContact O-N 3.09Å; A242-I246 PolarHBondContact N-O 3.34Å
243K84Confident92.6Very high133 Ų13342.5 Ų42.558%0.57822%0.218SC*.G310 helixtrans-51.5142.7175.8-65.4177.7-170.6173.30110.9Q210 P211 N245 I246Q210-K243 WeakPolarHBondContact O-CE 3.34Å; Q210-K243 PolarHBondContact O-NZ 3.03Å; P211-K243 WeakPolarHBondContact O-CD 3.44Å; P211-K243 WeakPolarHBondContact O-CG 3.47Å; K243-N245 PolarHBondContact O-N 3.39Å; K243-I246 WeakPolarHBondContact O-CD1 3.4Å; K243-I246 WeakPolarHBondContact O-CG1 3.44Å
244N85.5Confident92.7Very high73 Ų7339.3 Ų39.339%0.3920%0.202SC..G310 helixtrans60.224.2-173.8-55.2-20.3000115.4I246 T275 R276N244-I246 HydrophobicContact CB-CG1 4.48Å; N244-I246 PolarHBondContact O-N 3Å; N244-T275 WeakPolarHBondContact O-CA 3.37Å; N244-R276 HydrophobicContact CB-CB 4.31Å; N244-R276 PolarHBondContact O-N 3.47Å; N244-R276 VanDerWaalsContact OD1-CZ 3.28Å; N244-R276 PolarHBondContact OD1-NH1 3.16Å
245N90.6Very high92.9Very high73 Ų7340.1 Ų40.139%0.3921%0.205SC..G310 helixtrans62.127179.5-54.310.6000113.7Q241 A242 K243Q241-N245 HydrophobicContact CG-CB 4.48Å; A242-N245 PolarHBondContact O-N 3.41Å; A242-N245 VanDerWaalsContact O-N 3.09Å; K243-N245 PolarHBondContact O-N 3.39Å
246I93.3Very high93Very high42 Ų4239.2 Ų39.222%0.21520%0.196CC..  trans-70.1133.7175.5-62.7171000108.8F213 H217 Q241 A242 K243 N244 H250 V251F213-I246 HydrophobicContact CE1-CG2 4.32Å; H217-I246 PolarHBondContact NE2-O 3.22Å; Q241-I246 WeakPolarHBondContact CA-O 3.42Å; A242-I246 PolarHBondContact N-O 3.34Å; K243-I246 WeakPolarHBondContact O-CD1 3.4Å; K243-I246 WeakPolarHBondContact O-CG1 3.44Å; N244-I246 HydrophobicContact CB-CG1 4.48Å; N244-I246 PolarHBondContact O-N 3Å; I246-H250 HydrophobicContact CG2-CB 4.26Å; I246-V251 HydrophobicContact CG2-CG2 3.76Å
247T95.7Very high93.1Very high2 Ų243.1 Ų43.11%0.01221%0.209CC..  trans-113.3164.7177.464.30000111.3Q241 L249 H250 V251 C273Q241-T247 HydrophobicContact CG-CG2 3.92Å; T247-L249 PolarHBondContact O-N 3.44Å; T247-L249 VanDerWaalsContact O-N 3.15Å; T247-H250 WeakPolarHBondContact O-CB 3.29Å; T247-H250 PolarHBondContact O-N 3.29Å; T247-H250 VanDerWaalsContact O-N 3.08Å; T247-H250 PolarHBondContact OG1-N 3.19Å; T247-H250 PolarHBondContact OG1-ND1 3.36Å; T247-V251 PolarHBondContact O-N 2.85Å; T247-C273 PolarHBondContact OG1-SG 2.81Å; T247-C273 VanDerWaalsContact OG1-SG 3.4Å
248P95.6Very high92.9Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-54.7-32.6173.5-26.635.5000113.2L216 A220 V238 F240 V251 A252 L264L216-P248 HydrophobicContact CD2-CG 4.2Å; L216-P248 HydrophobicContact CG-CB 4.28Å; L216-P248 HydrophobicContact CG-CG 4.16Å; A220-P248 HydrophobicContact CB-CB 4.08Å; V238-P248 WeakPolarHBondContact O-CD 3.16Å; F240-P248 WeakPolarHBondContact O-CD 3.41Å; P248-V251 PolarHBondContact O-N 2.86Å; P248-A252 WeakPolarHBondContact O-CB 3.3Å; P248-A252 PolarHBondContact O-N 2.85Å; P248-L264 HydrophobicContact CB-CD1 4.03Å; P248-L264 HydrophobicContact CB-CD2 4.06Å
249L96.8Very high92.8Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-68.7-40.3177.5-173.863.2000112.5T247 V251 A252 A253 V261 L264 L265 A269 L270 P281 L297T247-L249 PolarHBondContact O-N 3.44Å; T247-L249 VanDerWaalsContact O-N 3.15Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 PolarHBondContact O-N 3.03Å; L249-A252 PolarHBondContact O-N 2.81Å; L249-A253 VanDerWaalsContact O-CB 3.23Å; L249-A253 WeakPolarHBondContact O-CB 3.27Å; L249-A253 PolarHBondContact O-N 3.49Å; L249-V261 HydrophobicContact CD1-CB 4.4Å; L249-V261 HydrophobicContact CD1-CG1 3.92Å; L249-V261 HydrophobicContact CD1-CG2 4.22Å; L249-L264 HydrophobicContact CB-CD1 4.49Å; L249-L264 HydrophobicContact CD1-CB 4.38Å; L249-L264 HydrophobicContact CD1-CD1 4.48Å; L249-L265 HydrophobicContact CD1-CD2 4.37Å; L249-L265 HydrophobicContact CD1-CG 4.32Å; L249-L265 HydrophobicContact CD2-CD2 4.15Å; L249-A269 HydrophobicContact CB-CB 4.33Å; L249-A269 HydrophobicContact CD2-CB 3.95Å; L249-L270 WeakPolarHBondContact CD2-O 3.38Å; L249-P281 HydrophobicContact CB-CG 4.39Å; L249-P281 HydrophobicContact CD2-CB 4.33Å; L249-P281 HydrophobicContact CD2-CG 3.82Å; L249-P281 HydrophobicContact CG-CB 4.03Å; L249-P281 HydrophobicContact CG-CG 3.78Å; L249-L297 HydrophobicContact CD1-CD2 4.39Å
250H96.3Very high92.8Very high5 Ų541.3 Ų41.32%0.02322%0.218CC..Hα-helixtrans-60.9-43172.1-74.499.2000111.6I246 T247 A253 K254 C273 L279I246-H250 HydrophobicContact CG2-CB 4.26Å; T247-H250 WeakPolarHBondContact O-CB 3.29Å; T247-H250 PolarHBondContact O-N 3.29Å; T247-H250 VanDerWaalsContact O-N 3.08Å; T247-H250 PolarHBondContact OG1-N 3.19Å; T247-H250 PolarHBondContact OG1-ND1 3.36Å; H250-A253 PolarHBondContact O-N 2.84Å; H250-K254 WeakPolarHBondContact O-CB 3.19Å; H250-K254 PolarHBondContact O-N 2.54Å; H250-C273 PolarHBondContact CE1-SG 2.81Å; H250-L279 PolarHBondContact NE2-O 3.04Å; H250-L279 VanDerWaalsContact NE2-O 3.15Å
251V94.8Very high92.9Very high9 Ų939.2 Ų39.26%0.05521%0.209CC..Hα-helixtrans-63.3-50.7178.11770000110.6A220 H221 I246 T247 P248 L249 A253 K254 W255A220-V251 HydrophobicContact CB-CG1 4.44Å; H221-V251 HydrophobicContact CB-CG1 3.83Å; I246-V251 HydrophobicContact CG2-CG2 3.76Å; T247-V251 PolarHBondContact O-N 2.85Å; P248-V251 PolarHBondContact O-N 2.86Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 PolarHBondContact O-N 3.03Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 2.8Å; V251-K254 PolarHBondContact O-N 2.82Å; V251-W255 VanDerWaalsContact O-CD1 3.27Å; V251-W255 PolarHBondContact O-N 2.83Å; V251-W255 VanDerWaalsContact O-N 3.13Å
252A95.8Very high93Very high0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-61.6-33.7178.700000112.5A220 P248 L249 G256 R257 M260 V261 L264A220-A252 HydrophobicContact CB-CB 4.36Å; P248-A252 WeakPolarHBondContact O-CB 3.3Å; P248-A252 PolarHBondContact O-N 2.85Å; L249-A252 PolarHBondContact O-N 2.81Å; A252-G256 PolarHBondContact O-N 3.11Å; A252-R257 HydrophobicContact CB-CB 4.27Å; A252-R257 PolarHBondContact O-N 3.36Å; A252-M260 HydrophobicContact CB-CB 4.22Å; A252-M260 HydrophobicContact CB-CG 3.78Å; A252-V261 HydrophobicContact CB-CG2 3.53Å; A252-L264 HydrophobicContact CB-CD1 3.99Å
253A95.4Very high93.3Very high0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-72-40.1175.500000113.9L249 H250 V251 W255 P281 C284 A285 H290 L297L249-A253 VanDerWaalsContact O-CB 3.23Å; L249-A253 WeakPolarHBondContact O-CB 3.27Å; L249-A253 PolarHBondContact O-N 3.49Å; H250-A253 PolarHBondContact O-N 2.84Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 2.8Å; A253-W255 VanDerWaalsContact C-N 3.33Å; A253-W255 PolarHBondContact O-N 2.59Å; A253-P281 HydrophobicContact CB-CB 3.89Å; A253-P281 WeakPolarHBondContact CB-O 3.37Å; A253-C284 HydrophobicContact CB-CB 4.29Å; A253-A285 HydrophobicContact CB-CB 4.47Å; A253-H290 PolarHBondContact O-CD2 3.03Å; A253-H290 VanDerWaalsContact O-CD2 3.24Å; A253-L297 HydrophobicContact CB-CD1 4.25Å
254K94Very high93.9Very high74 Ų7432.4 Ų32.432%0.32218%0.178SC..Hα-helixtrans-64.4-36.7175.7-168.2170.1-172.1168.30111.8H250 V251 C284 S288 H290 E1851H250-K254 WeakPolarHBondContact O-CB 3.19Å; H250-K254 PolarHBondContact O-N 2.54Å; V251-K254 PolarHBondContact O-N 2.82Å; K254-C284 HydrophobicContact CB-CB 4.27Å; K254-S288 WeakPolarHBondContact O-CB 3.21Å; K254-S288 PolarHBondContact O-OG 3.5Å; K254-H290 PolarHBondContact O-NE2 3.19Å; K254-E1851 IonicContact NZ-OE1 3.84Å; K254-E1851 PolarHBondContact NZ-OE1 3.4Å; K254-E1851 IonicContact NZ-OE2 2.88Å; K254-E1851 PolarHBondContact NZ-OE2 3.36Å
255W92.9Very high94.3Very high107 Ų10730.1 Ų30.141%0.40517%0.165SC..THydrogen-bonded Turntrans-99.815.8-175.8-65.9104.9000115.1H221 V251 A253 R257H221-W255 AromaticContact CD2-CD1 3.95Å; H221-W255 AromaticContact CD2-CE2 3.83Å; H221-W255 AromaticContact CD2-NE1 3.43Å; H221-W255 PolarHBondContact CD2-NE1 2.9Å; H221-W255 AromaticContact NE2-CE2 3.7Å; H221-W255 AromaticContact NE2-CZ2 3.68Å; H221-W255 AromaticContact NE2-NE1 3.8Å; V251-W255 VanDerWaalsContact O-CD1 3.27Å; V251-W255 PolarHBondContact O-N 2.83Å; V251-W255 VanDerWaalsContact O-N 3.13Å; A253-W255 VanDerWaalsContact C-N 3.33Å; A253-W255 PolarHBondContact O-N 2.59Å; W255-R257 VanDerWaalsContact C-N 3.27Å; W255-R257 HydrophobicContact CB-CG 4.04Å; W255-R257 VanDerWaalsContact O-CD 3.25Å; W255-R257 WeakPolarHBondContact O-CD 3.42Å; W255-R257 WeakPolarHBondContact O-CG 3.32Å; W255-R257 PolarHBondContact O-N 3.15Å; W255-R257 PolarHBondContact O-NE 2.91Å
256G92.1Very high94.5Very high29 Ų2932.1 Ų32.130%0.29918%0.176SC..THydrogen-bonded Turntrans67.918.1171.500000115.6A252 G258 H290A252-G256 PolarHBondContact O-N 3.11Å; G256-G258 VanDerWaalsContact C-N 3.32Å; G256-G258 PolarHBondContact O-N 3.44Å; G256-H290 VanDerWaalsContact CA-CE1 3.49Å; G256-H290 WeakPolarHBondContact CA-CE1 3.42Å; G256-H290 WeakPolarHBondContact CA-ND1 3.35Å; G256-H290 PolarHBondContact N-NE2 2.85Å
257R93.9Very high94.5Very high89 Ų8931.5 Ų31.534%0.33618%0.176SC..  trans-82.368.7-167.9-54.1-54.1-172.2-162.2-1112.3A220 H221 F222 A252 W255 G259 M260 V261A220-R257 WeakPolarHBondContact O-CG 3.38Å; H221-R257 PolarHBondContact O-NE 2.88Å; H221-R257 PolarHBondContact O-NH2 3.43Å; F222-R257 PolarHBondContact O-NE 2.92Å; A252-R257 HydrophobicContact CB-CB 4.27Å; A252-R257 PolarHBondContact O-N 3.36Å; W255-R257 VanDerWaalsContact C-N 3.27Å; W255-R257 HydrophobicContact CB-CG 4.04Å; W255-R257 VanDerWaalsContact O-CD 3.25Å; W255-R257 WeakPolarHBondContact O-CD 3.42Å; W255-R257 WeakPolarHBondContact O-CG 3.32Å; W255-R257 PolarHBondContact O-N 3.15Å; W255-R257 PolarHBondContact O-NE 2.91Å; R257-G259 PolarHBondContact O-N 2.85Å; R257-M260 HydrophobicContact CB-CB 3.78Å; R257-M260 WeakPolarHBondContact O-CA 3.42Å; R257-M260 VanDerWaalsContact O-CB 3.3Å; R257-M260 WeakPolarHBondContact O-CB 3.27Å; R257-M260 PolarHBondContact O-N 2.87Å; R257-V261 PolarHBondContact O-N 3.01Å
258G90.9Very high94.3Very high29 Ų2937.9 Ų37.930%0.29921%0.21SC..Hα-helixtrans-48.3-50.5-174.800000115.4G256 M260 V261 Q262G256-G258 VanDerWaalsContact C-N 3.32Å; G256-G258 PolarHBondContact O-N 3.44Å; G258-M260 VanDerWaalsContact C-N 3.28Å; G258-M260 PolarHBondContact O-N 3.5Å; G258-V261 PolarHBondContact O-N 3.13Å; G258-Q262 PolarHBondContact O-N 2.82Å
259G92Very high94.2Very high51 Ų5138.2 Ų38.253%0.52621%0.213SC..Hα-helixtrans-63.8-29.7177.800000114.4R257 L263R257-G259 PolarHBondContact O-N 2.85Å; G259-L263 PolarHBondContact O-N 3.04Å; G259-L263 VanDerWaalsContact O-N 3.16Å
260M94.9Very high94.1Very high1 Ų143.2 Ų43.21%0.00524%0.239CC..Hα-helixtrans-74.2-45.8173.1-179.56955.400111.3A219 A220 N224 V225 A228 A252 R257 G258 Q262 L263 L264A219-M260 HydrophobicContact CB-CE 4.41Å; A219-M260 VanDerWaalsContact O-CE 3.32Å; A219-M260 WeakPolarHBondContact O-CE 3.28Å; A220-M260 HydrophobicContact CB-CG 4.02Å; A220-M260 HydrophobicContact CB-SD 4.23Å; N224-M260 VanDerWaalsContact C-CE 3.45Å; N224-M260 WeakPolarHBondContact O-CE 3.05Å; V225-M260 HydrophobicContact CG2-CE 4.28Å; A228-M260 HydrophobicContact CB-CE 3.63Å; A228-M260 HydrophobicContact CB-SD 3.62Å; A252-M260 HydrophobicContact CB-CB 4.22Å; A252-M260 HydrophobicContact CB-CG 3.78Å; R257-M260 HydrophobicContact CB-CB 3.78Å; R257-M260 WeakPolarHBondContact O-CA 3.42Å; R257-M260 VanDerWaalsContact O-CB 3.3Å; R257-M260 WeakPolarHBondContact O-CB 3.27Å; R257-M260 PolarHBondContact O-N 2.87Å; G258-M260 VanDerWaalsContact C-N 3.28Å; G258-M260 PolarHBondContact O-N 3.5Å; M260-Q262 VanDerWaalsContact C-N 3.27Å; M260-Q262 PolarHBondContact O-N 3.11Å; M260-L263 WeakPolarHBondContact O-CB 3.48Å; M260-L263 PolarHBondContact O-N 2.86Å; M260-L263 VanDerWaalsContact O-N 3.09Å; M260-L264 HydrophobicContact CG-CD1 3.83Å; M260-L264 HydrophobicContact CG-CG 4.23Å; M260-L264 WeakPolarHBondContact O-CB 3.35Å; M260-L264 VanDerWaalsContact O-CG 3.31Å; M260-L264 WeakPolarHBondContact O-CG 3.09Å; M260-L264 PolarHBondContact O-N 3.27Å; M260-L264 HydrophobicContact SD-CD1 4.34Å; M260-L264 HydrophobicContact SD-CG 4.26Å
261V95.2Very high93.9Very high0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-57.7-43.4175.8169.60000110.2L249 A252 R257 G258 L263 L264 L265 L293 L296 L297L249-V261 HydrophobicContact CD1-CB 4.4Å; L249-V261 HydrophobicContact CD1-CG1 3.92Å; L249-V261 HydrophobicContact CD1-CG2 4.22Å; A252-V261 HydrophobicContact CB-CG2 3.53Å; R257-V261 PolarHBondContact O-N 3.01Å; G258-V261 PolarHBondContact O-N 3.13Å; V261-L263 PolarHBondContact O-N 2.93Å; V261-L264 PolarHBondContact O-N 2.92Å; V261-L265 HydrophobicContact CG1-CD1 3.58Å; V261-L265 HydrophobicContact CG1-CG 4.17Å; V261-L265 WeakPolarHBondContact O-CB 3.25Å; V261-L265 WeakPolarHBondContact O-CG 2.96Å; V261-L265 PolarHBondContact O-N 2.51Å; V261-L293 HydrophobicContact CB-CD1 3.75Å; V261-L293 HydrophobicContact CG1-CD1 3.85Å; V261-L293 HydrophobicContact CG2-CD1 3.77Å; V261-L293 HydrophobicContact CG2-CD2 4.12Å; V261-L293 HydrophobicContact CG2-CG 4.31Å; V261-L296 HydrophobicContact CG1-CD2 3.9Å; V261-L297 HydrophobicContact CG1-CD2 4Å; V261-L297 HydrophobicContact CG1-CG 4.44Å
262Q95Very high93.8Very high84 Ų8446.7 Ų46.739%0.39326%0.258SS..Hα-helixtrans-61.7-41.4174.6-166.467.667.300112.5G258 M260 N266G258-Q262 PolarHBondContact O-N 2.82Å; M260-Q262 VanDerWaalsContact C-N 3.27Å; M260-Q262 PolarHBondContact O-N 3.11Å; Q262-N266 PolarHBondContact NE2-OD1 2.89Å; Q262-N266 WeakPolarHBondContact O-CB 3.29Å; Q262-N266 PolarHBondContact O-N 3.12Å; Q262-N266 PolarHBondContact O-OD1 2.8Å
263L95.4Very high93.6Very high12 Ų1247.3 Ų47.36%0.06326%0.262CS..Hα-helixtrans-62.5-47.9175.2177.166.4000111.8V225 A228 R229 I232 G259 M260 V261 N266 S267V225-L263 HydrophobicContact CG1-CB 4.47Å; V225-L263 HydrophobicContact CG1-CD2 4.04Å; A228-L263 HydrophobicContact CB-CD2 3.6Å; R229-L263 HydrophobicContact CB-CD2 4.38Å; I232-L263 HydrophobicContact CD1-CD2 4.34Å; I232-L263 HydrophobicContact CD1-CG 4.3Å; G259-L263 PolarHBondContact O-N 3.04Å; G259-L263 VanDerWaalsContact O-N 3.16Å; M260-L263 WeakPolarHBondContact O-CB 3.48Å; M260-L263 PolarHBondContact O-N 2.86Å; M260-L263 VanDerWaalsContact O-N 3.09Å; V261-L263 PolarHBondContact O-N 2.93Å; L263-N266 PolarHBondContact O-N 2.8Å; L263-S267 WeakPolarHBondContact O-CB 3.36Å; L263-S267 PolarHBondContact O-N 2.86Å; L263-S267 PolarHBondContact O-OG 3.43Å
264L96Very high93.6Very high0 Ų053.1 Ų53.10%028%0.284CS..Hα-helixtrans-63.2-46.6-178.9-68.8171.2000111L216 I232 V238 P248 L249 A252 M260 V261 S267 N268 A269L216-L264 HydrophobicContact CD1-CD2 4.38Å; L216-L264 HydrophobicContact CD2-CD2 4.29Å; L216-L264 HydrophobicContact CG-CD2 4.46Å; I232-L264 HydrophobicContact CD1-CD2 4.46Å; V238-L264 HydrophobicContact CG1-CB 4.47Å; V238-L264 HydrophobicContact CG1-CD2 3.99Å; P248-L264 HydrophobicContact CB-CD1 4.03Å; P248-L264 HydrophobicContact CB-CD2 4.06Å; L249-L264 HydrophobicContact CB-CD1 4.49Å; L249-L264 HydrophobicContact CD1-CB 4.38Å; L249-L264 HydrophobicContact CD1-CD1 4.48Å; A252-L264 HydrophobicContact CB-CD1 3.99Å; M260-L264 HydrophobicContact CG-CD1 3.83Å; M260-L264 HydrophobicContact CG-CG 4.23Å; M260-L264 WeakPolarHBondContact O-CB 3.35Å; M260-L264 VanDerWaalsContact O-CG 3.31Å; M260-L264 WeakPolarHBondContact O-CG 3.09Å; M260-L264 PolarHBondContact O-N 3.27Å; M260-L264 HydrophobicContact SD-CD1 4.34Å; M260-L264 HydrophobicContact SD-CG 4.26Å; V261-L264 PolarHBondContact O-N 2.92Å; L264-S267 CarbonylContact O-C 3.59Å; L264-S267 VanDerWaalsContact O-C 3.25Å; L264-S267 WeakPolarHBondContact O-CA 3.46Å; L264-S267 PolarHBondContact O-N 3.27Å; L264-N268 PolarHBondContact O-N 3.42Å; L264-A269 VanDerWaalsContact C-CB 3.47Å; L264-A269 HydrophobicContact CB-CB 3.91Å; L264-A269 WeakPolarHBondContact O-CB 3.44Å; L264-A269 PolarHBondContact O-N 2.86Å
265L94.6Very high93.5Very high25 Ų2550.2 Ų50.213%0.13127%0.273CS..Hα-helixtrans-62-44.2176.2-69.3169.9000112L249 V261 S267 N268 V271 L296 L297 A300L249-L265 HydrophobicContact CD1-CD2 4.37Å; L249-L265 HydrophobicContact CD1-CG 4.32Å; L249-L265 HydrophobicContact CD2-CD2 4.15Å; V261-L265 HydrophobicContact CG1-CD1 3.58Å; V261-L265 HydrophobicContact CG1-CG 4.17Å; V261-L265 WeakPolarHBondContact O-CB 3.25Å; V261-L265 WeakPolarHBondContact O-CG 2.96Å; V261-L265 PolarHBondContact O-N 2.51Å; L265-S267 PolarHBondContact O-N 3.33Å; L265-S267 VanDerWaalsContact O-N 3.15Å; L265-N268 PolarHBondContact O-N 3.02Å; L265-N268 VanDerWaalsContact O-N 3.16Å; L265-V271 HydrophobicContact CD2-CG1 4.49Å; L265-V271 HydrophobicContact CD2-CG2 3.79Å; L265-L296 HydrophobicContact CD1-CD2 3.48Å; L265-L296 VanDerWaalsContact CD1-CD2 3.48Å; L265-L297 HydrophobicContact CD1-CD2 4.45Å; L265-A300 HydrophobicContact CD1-CB 3.82Å; L265-A300 HydrophobicContact CD2-CB 4.18Å
266N94.4Very high93.3Very high115 Ų11549.7 Ų49.762%0.61527%0.271SS*.Hα-helixtrans-64.4-15173.7-68.45.8000113Q262 L263Q262-N266 PolarHBondContact NE2-OD1 2.89Å; Q262-N266 WeakPolarHBondContact O-CB 3.29Å; Q262-N266 PolarHBondContact O-N 3.12Å; Q262-N266 PolarHBondContact O-OD1 2.8Å; L263-N266 PolarHBondContact O-N 2.8Å
267S93.1Very high93.1Very high29 Ų2949.3 Ų49.320%0.20326%0.262CS..THydrogen-bonded Turntrans-108.327.6177.9-47.90000112.2L263 L264 L265 A269L263-S267 WeakPolarHBondContact O-CB 3.36Å; L263-S267 PolarHBondContact O-N 2.86Å; L263-S267 PolarHBondContact O-OG 3.43Å; L264-S267 CarbonylContact O-C 3.59Å; L264-S267 VanDerWaalsContact O-C 3.25Å; L264-S267 WeakPolarHBondContact O-CA 3.46Å; L264-S267 PolarHBondContact O-N 3.27Å; L265-S267 PolarHBondContact O-N 3.33Å; L265-S267 VanDerWaalsContact O-N 3.15Å; S267-A269 PolarHBondContact O-N 3.11Å
268N92.1Very high92.9Very high137 Ų13745.4 Ų45.473%0.73325%0.25SC*.THydrogen-bonded Turntrans64.634.5176.1-61.288.4000115.6N239 L264 L265N239-N268 PolarHBondContact ND2-O 2.96Å; L264-N268 PolarHBondContact O-N 3.42Å; L265-N268 PolarHBondContact O-N 3.02Å; L265-N268 VanDerWaalsContact O-N 3.16Å
269A93.7Very high93.1Very high7 Ų745.2 Ų45.26%0.05824%0.242CC..  trans-64.1135.1165.300000111.8V238 N239 L249 L264 S267 V271V238-A269 HydrophobicContact CG1-CB 3.63Å; N239-A269 WeakPolarHBondContact OD1-CA 3.43Å; L249-A269 HydrophobicContact CB-CB 4.33Å; L249-A269 HydrophobicContact CD2-CB 3.95Å; L264-A269 VanDerWaalsContact C-CB 3.47Å; L264-A269 HydrophobicContact CB-CB 3.91Å; L264-A269 WeakPolarHBondContact O-CB 3.44Å; L264-A269 PolarHBondContact O-N 2.86Å; S267-A269 PolarHBondContact O-N 3.11Å; A269-V271 PolarHBondContact O-N 2.88Å
270L93.1Very high93.3Very high105 Ų10542.8 Ų42.855%0.5522%0.217SC..  trans-73.2106.6-179.6-69.3172.6000110.8N239 L249 D272 C273N239-L270 WeakPolarHBondContact OD1-CB 3.46Å; N239-L270 WeakPolarHBondContact OD1-CG 3.42Å; N239-L270 PolarHBondContact OD1-N 2.85Å; L249-L270 WeakPolarHBondContact CD2-O 3.38Å; L270-D272 PolarHBondContact O-N 3.33Å; L270-C273 HydrophobicContact CB-CB 3.93Å; L270-C273 WeakPolarHBondContact O-CB 3.46Å; L270-C273 PolarHBondContact O-N 2.88Å; L270-C273 VanDerWaalsContact O-N 3.1Å; L270-C273 PolarHBondContact O-SG 2.91Å
271V93.3Very high93.4Very high34 Ų3442.8 Ų42.821%0.20622%0.216CC..THydrogen-bonded Turntrans-56-51.5-171.8-166.40000113.1L265 A269 P281 A300 A302L265-V271 HydrophobicContact CD2-CG1 4.49Å; L265-V271 HydrophobicContact CD2-CG2 3.79Å; A269-V271 PolarHBondContact O-N 2.88Å; V271-P281 WeakPolarHBondContact O-CD 3.43Å; V271-A300 HydrophobicContact CG1-CB 4.41Å; V271-A300 HydrophobicContact CG2-CB 4.47Å; V271-A302 HydrophobicContact CG1-CB 3.62Å
272D92.3Very high93.5Very high53 Ų5342.8 Ų42.828%0.28322%0.216SC..THydrogen-bonded Turntrans-98.937.6176.3-78.9-22.2000112.1L270 R274 N303L270-D272 PolarHBondContact O-N 3.33Å; D272-R274 PolarHBondContact O-NH1 3.27Å; D272-N303 PolarHBondContact OD1-N 3.07Å; D272-N303 WeakPolarHBondContact OD2-CB 3.46Å; D272-N303 PolarHBondContact OD2-N 3.3Å
273C91.8Very high93.5Very high12 Ų1238.8 Ų38.88%0.08120%0.198CC..  trans-57.9153.3163.360.80000110.4T247 H250 L270 T280 P281T247-C273 PolarHBondContact OG1-SG 2.81Å; T247-C273 VanDerWaalsContact OG1-SG 3.4Å; H250-C273 PolarHBondContact CE1-SG 2.81Å; L270-C273 HydrophobicContact CB-CB 3.93Å; L270-C273 WeakPolarHBondContact O-CB 3.46Å; L270-C273 PolarHBondContact O-N 2.88Å; L270-C273 VanDerWaalsContact O-N 3.1Å; L270-C273 PolarHBondContact O-SG 2.91Å; C273-T280 WeakPolarHBondContact O-CA 3.48Å; C273-P281 WeakPolarHBondContact O-CD 3.01Å
274R93.9Very high93.5Very high122 Ų12239 Ų3946%0.4620%0.2SC..  trans-127.7134.6-174.3-77177.7175.680.1-9.6112.3D272 L279 T280D272-R274 PolarHBondContact O-NH1 3.27Å; R274-L279 CarbonylContact C-O 3.53Å; R274-L279 VanDerWaalsContact CA-O 3.25Å; R274-L279 WeakPolarHBondContact CA-O 3.34Å; R274-T280 HydrophobicContact CG-CG2 3.91Å
275T92.7Very high93.5Very high14 Ų1439 Ų399%0.08620%0.2CC..  trans-65.1172.6163.172.10000110.6N244 D277 G278 L279N244-T275 WeakPolarHBondContact O-CA 3.37Å; T275-D277 PolarHBondContact O-N 3.18Å; T275-D277 PolarHBondContact OG1-N 2.91Å; T275-G278 PolarHBondContact O-N 3.39Å; T275-L279 HydrophobicContact CG2-CB 4.05Å; T275-L279 PolarHBondContact N-O 3.43Å; T275-L279 WeakPolarHBondContact OG1-CB 3.39Å; T275-L279 PolarHBondContact OG1-N 3Å
276R89Confident93.5Very high96 Ų9637.8 Ų37.836%0.36219%0.193SC..THydrogen-bonded Turntrans-48.2-46.7173.2-168.1172.563.21699.6112N244 G278 R309 H1855N244-R276 HydrophobicContact CB-CB 4.31Å; N244-R276 PolarHBondContact O-N 3.47Å; N244-R276 VanDerWaalsContact OD1-CZ 3.28Å; N244-R276 PolarHBondContact OD1-NH1 3.16Å; R276-G278 PolarHBondContact O-N 2.84Å; R276-R309 PolarHBondContact O-NE 3.06Å; R276-R309 PolarHBondContact O-NH2 2.87Å; R276-H1855 WeakPolarHBondContact CD-NE2 3.43Å; R276-H1855 VanDerWaalsContact CZ-NE2 3.29Å; R276-H1855 PolarHBondContact NE-CD2 2.91Å; R276-H1855 PolarHBondContact NE-NE2 3.04Å; R276-H1855 PolarHBondContact NH2-CD2 3.21Å; R276-H1855 VanDerWaalsContact NH2-CD2 3.31Å; R276-H1855 PolarHBondContact NH2-NE2 3.4Å
277D87.7Confident93.5Very high20 Ų2033.7 Ų33.711%0.10717%0.169CC..THydrogen-bonded Turntrans-74.2-3.4-179.9-56.1-101.8000114.8T275 R309 S1854 H1855T275-D277 PolarHBondContact O-N 3.18Å; T275-D277 PolarHBondContact OG1-N 2.91Å; D277-R309 PolarHBondContact O-N 2.86Å; D277-R309 VanDerWaalsContact O-N 3.11Å; D277-S1854 WeakPolarHBondContact OD1-CB 3.27Å; D277-S1854 PolarHBondContact OD1-OG 3.3Å; D277-H1855 IonicContact OD1-CD2 3.17Å; D277-H1855 PolarHBondContact OD1-CD2 3.37Å
278G90.6Very high93.5Very high8 Ų833.8 Ų33.88%0.08217%0.17CC..  trans848.5-178.500000114.9T275 R276T275-G278 PolarHBondContact O-N 3.39Å; R276-G278 PolarHBondContact O-N 2.84Å
279L94.8Very high93.6Very high25 Ų2528.7 Ų28.713%0.13115%0.15CC..  trans-63.2138.6171-61.1165.5000109.4H250 R274 T275 H283 T308 M317H250-L279 PolarHBondContact NE2-O 3.04Å; H250-L279 VanDerWaalsContact NE2-O 3.15Å; R274-L279 CarbonylContact C-O 3.53Å; R274-L279 VanDerWaalsContact CA-O 3.25Å; R274-L279 WeakPolarHBondContact CA-O 3.34Å; T275-L279 HydrophobicContact CG2-CB 4.05Å; T275-L279 PolarHBondContact N-O 3.43Å; T275-L279 WeakPolarHBondContact OG1-CB 3.39Å; T275-L279 PolarHBondContact OG1-N 3Å; L279-H283 HydrophobicContact CB-CB 4.35Å; L279-H283 HydrophobicContact CD2-CB 3.93Å; L279-T308 HydrophobicContact CD2-CG2 3.69Å; L279-T308 HydrophobicContact CG-CG2 4.4Å; L279-M317 HydrophobicContact CD2-CE 3.56Å
280T96.4Very high93.6Very high0 Ų031 Ų310%016%0.159CC..  trans-104.3166.6169.567.90000110.7C273 R274 L282 H283 C284 A306C273-T280 WeakPolarHBondContact O-CA 3.48Å; R274-T280 HydrophobicContact CG-CG2 3.91Å; T280-L282 PolarHBondContact O-N 3.17Å; T280-L282 VanDerWaalsContact O-N 3.12Å; T280-H283 PolarHBondContact N-ND1 3.29Å; T280-H283 WeakPolarHBondContact O-CA 3.38Å; T280-H283 WeakPolarHBondContact O-CB 3.36Å; T280-H283 PolarHBondContact O-N 2.86Å; T280-H283 PolarHBondContact OG1-ND1 3.05Å; T280-C284 PolarHBondContact O-N 3.04Å; T280-C284 VanDerWaalsContact O-N 3.16Å; T280-A306 HydrophobicContact CG2-CB 4.32Å
281P96.1Very high93.6Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-52.8-33172.7-28.736.5000113.6L249 A253 V271 C273 C284 A285 L297L249-P281 HydrophobicContact CB-CG 4.39Å; L249-P281 HydrophobicContact CD2-CB 4.33Å; L249-P281 HydrophobicContact CD2-CG 3.82Å; L249-P281 HydrophobicContact CG-CB 4.03Å; L249-P281 HydrophobicContact CG-CG 3.78Å; A253-P281 HydrophobicContact CB-CB 3.89Å; A253-P281 WeakPolarHBondContact CB-O 3.37Å; V271-P281 WeakPolarHBondContact O-CD 3.43Å; C273-P281 WeakPolarHBondContact O-CD 3.01Å; P281-C284 PolarHBondContact O-N 3.33Å; P281-A285 PolarHBondContact O-N 3.38Å; P281-L297 HydrophobicContact CB-CD1 4.21Å; P281-L297 HydrophobicContact CB-CD2 4.24Å
282L96.6Very high93.5Very high0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-67.4-34.5174.9-175.560.8000112.6T280 A286 A294 L297 M298 A302 P314 L330T280-L282 PolarHBondContact O-N 3.17Å; T280-L282 VanDerWaalsContact O-N 3.12Å; L282-A286 WeakPolarHBondContact O-CB 3.43Å; L282-A286 PolarHBondContact O-N 3.4Å; L282-A294 HydrophobicContact CD1-CB 3.8Å; L282-L297 HydrophobicContact CD1-CB 4.32Å; L282-M298 HydrophobicContact CD1-CG 4.1Å; L282-M298 HydrophobicContact CD2-CG 3.8Å; L282-M298 HydrophobicContact CD2-SD 4.33Å; L282-A302 HydrophobicContact CB-CB 4.12Å; L282-A302 HydrophobicContact CD2-CB 4Å; L282-P314 HydrophobicContact CD2-CB 4.47Å; L282-P314 HydrophobicContact CD2-CG 4.02Å; L282-P314 HydrophobicContact CG-CB 4.17Å; L282-P314 HydrophobicContact CG-CG 3.96Å; L282-L330 HydrophobicContact CD1-CD2 4.41Å; L282-L330 HydrophobicContact CD2-CD2 4.44Å
283H96.5Very high93.5Very high1 Ų131.2 Ų31.21%0.00516%0.157CC..Hα-helixtrans-64.5-42.3170.9-68.980.2000111.3L279 T280 A286 R287 A306 L312 M317L279-H283 HydrophobicContact CB-CB 4.35Å; L279-H283 HydrophobicContact CD2-CB 3.93Å; T280-H283 PolarHBondContact N-ND1 3.29Å; T280-H283 WeakPolarHBondContact O-CA 3.38Å; T280-H283 WeakPolarHBondContact O-CB 3.36Å; T280-H283 PolarHBondContact O-N 2.86Å; T280-H283 PolarHBondContact OG1-ND1 3.05Å; H283-A286 PolarHBondContact O-N 2.97Å; H283-R287 PolarHBondContact O-N 3.39Å; H283-A306 PolarHBondContact CE1-O 3.44Å; H283-A306 PolarHBondContact NE2-O 2.93Å; H283-L312 PolarHBondContact NE2-O 3.48Å; H283-M317 HydrophobicContact CB-CG 4.22Å
284C94.7Very high93.6Very high15 Ų1530.7 Ų30.710%0.10115%0.153CC..Hα-helixtrans-63.4-47.1177.6-61.30000111.8A253 K254 T280 P281 A286 S288A253-C284 HydrophobicContact CB-CB 4.29Å; K254-C284 HydrophobicContact CB-CB 4.27Å; T280-C284 PolarHBondContact O-N 3.04Å; T280-C284 VanDerWaalsContact O-N 3.16Å; P281-C284 PolarHBondContact O-N 3.33Å; C284-A286 VanDerWaalsContact C-N 3.33Å; C284-A286 PolarHBondContact O-N 3.25Å; C284-S288 WeakPolarHBondContact O-CB 3.49Å; C284-S288 PolarHBondContact O-N 2.8Å; C284-S288 PolarHBondContact O-OG 3.24Å; C284-S288 VanDerWaalsContact O-OG 3.12Å
285A95.6Very high93.6Very high0 Ų026.5 Ų26.50%014%0.142CC..Hα-helixtrans-61.1-41.7174.600000111.8A253 P281 S288 G289 H290 L297A253-A285 HydrophobicContact CB-CB 4.47Å; P281-A285 PolarHBondContact O-N 3.38Å; A285-S288 PolarHBondContact O-N 3.43Å; A285-G289 PolarHBondContact O-N 3.19Å; A285-H290 HydrophobicContact CB-CB 4.4Å; A285-H290 PolarHBondContact O-N 2.81Å; A285-H290 VanDerWaalsContact O-N 3.15Å; A285-L297 HydrophobicContact CB-CD1 3.96Å
286A95.8Very high93.6Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-72.6-31.4-176.900000114.3L282 H283 C284 S288 P314 M317 A318 N323 V326 L330L282-A286 WeakPolarHBondContact O-CB 3.43Å; L282-A286 PolarHBondContact O-N 3.4Å; H283-A286 PolarHBondContact O-N 2.97Å; C284-A286 VanDerWaalsContact C-N 3.33Å; C284-A286 PolarHBondContact O-N 3.25Å; A286-S288 VanDerWaalsContact C-N 3.33Å; A286-P314 HydrophobicContact CB-CB 3.96Å; A286-P314 WeakPolarHBondContact CB-O 3.47Å; A286-M317 HydrophobicContact CB-CB 4.36Å; A286-A318 WeakPolarHBondContact O-CA 3.31Å; A286-N323 PolarHBondContact O-ND2 3.27Å; A286-V326 HydrophobicContact CB-CG1 3.67Å; A286-L330 HydrophobicContact CB-CD1 4.11Å
287R94.4Very high93.9Very high29 Ų2923.2 Ų23.211%0.10913%0.131CC..Hα-helixtrans-70.4-31.8170.3-161.6-158.6173.712-5.4112.1H283 M317 N323 E1849 Q1850H283-R287 PolarHBondContact O-N 3.39Å; R287-M317 HydrophobicContact CB-CB 4.19Å; R287-N323 PolarHBondContact O-ND2 3.11Å; R287-E1849 VanDerWaalsContact NH2-N 3.16Å; R287-Q1850 VanDerWaalsContact CG-OE1 3.25Å; R287-Q1850 VanDerWaalsContact NE-OE1 3.13Å
288S92.9Very high94.2Very high31 Ų3123.2 Ų23.222%0.21713%0.131CC..THydrogen-bonded Turntrans-99.412.2-169.9-61.10000114.7K254 C284 A285 A286 H290K254-S288 WeakPolarHBondContact O-CB 3.21Å; K254-S288 PolarHBondContact O-OG 3.5Å; C284-S288 WeakPolarHBondContact O-CB 3.49Å; C284-S288 PolarHBondContact O-N 2.8Å; C284-S288 PolarHBondContact O-OG 3.24Å; C284-S288 VanDerWaalsContact O-OG 3.12Å; A285-S288 PolarHBondContact O-N 3.43Å; A286-S288 VanDerWaalsContact C-N 3.33Å; S288-H290 VanDerWaalsContact C-N 3.34Å; S288-H290 VanDerWaalsContact CB-CD2 3.46Å; S288-H290 WeakPolarHBondContact CB-CD2 3.36Å; S288-H290 WeakPolarHBondContact CB-NE2 3.29Å; S288-H290 PolarHBondContact O-CE1 2.86Å; S288-H290 PolarHBondContact O-N 3.08Å; S288-H290 PolarHBondContact O-NE2 3.35Å
289G92.7Very high94.2Very high30 Ų3025.8 Ų25.831%0.30916%0.157SC..THydrogen-bonded Turntrans81.10.3173.200000116.5A285 A291 N323 V326A285-G289 PolarHBondContact O-N 3.19Å; G289-A291 VanDerWaalsContact C-N 3.34Å; G289-A291 PolarHBondContact O-N 3.38Å; G289-N323 WeakPolarHBondContact CA-OD1 3.42Å; G289-N323 PolarHBondContact N-ND2 3.44Å; G289-N323 PolarHBondContact N-OD1 2.93Å; G289-V326 VanDerWaalsContact C-CG2 3.45Å
290H94.6Very high94.1Very high55 Ų5526.7 Ų26.726%0.25517%0.169SC..  trans-80.372.1-168.7-56.9-54.6000112.9A253 K254 G256 A285 S288 E292 L293 A294A253-H290 PolarHBondContact O-CD2 3.03Å; A253-H290 VanDerWaalsContact O-CD2 3.24Å; K254-H290 PolarHBondContact O-NE2 3.19Å; G256-H290 VanDerWaalsContact CA-CE1 3.49Å; G256-H290 WeakPolarHBondContact CA-CE1 3.42Å; G256-H290 WeakPolarHBondContact CA-ND1 3.35Å; G256-H290 PolarHBondContact N-NE2 2.85Å; A285-H290 HydrophobicContact CB-CB 4.4Å; A285-H290 PolarHBondContact O-N 2.81Å; A285-H290 VanDerWaalsContact O-N 3.15Å; S288-H290 VanDerWaalsContact C-N 3.34Å; S288-H290 VanDerWaalsContact CB-CD2 3.46Å; S288-H290 WeakPolarHBondContact CB-CD2 3.36Å; S288-H290 WeakPolarHBondContact CB-NE2 3.29Å; S288-H290 PolarHBondContact O-CE1 2.86Å; S288-H290 PolarHBondContact O-N 3.08Å; S288-H290 PolarHBondContact O-NE2 3.35Å; H290-E292 PolarHBondContact O-N 3.41Å; H290-L293 HydrophobicContact CB-CB 3.68Å; H290-L293 HydrophobicContact CB-CD2 4.24Å; H290-L293 CarbonylContact O-C 3.56Å; H290-L293 WeakPolarHBondContact O-CA 3.38Å; H290-L293 WeakPolarHBondContact O-CB 3.46Å; H290-L293 PolarHBondContact O-N 2.98Å; H290-A294 PolarHBondContact O-N 3.12Å
291A92.8Very high93.9Very high16 Ų1629.3 Ų29.313%0.13220%0.196CC..Hα-helixtrans-62.6-39.6-172.800000114.8G289 L293 A294 S295 E325 V326 V329G289-A291 VanDerWaalsContact C-N 3.34Å; G289-A291 PolarHBondContact O-N 3.38Å; A291-L293 VanDerWaalsContact C-N 3.26Å; A291-L293 PolarHBondContact O-N 3.35Å; A291-A294 PolarHBondContact O-N 3.32Å; A291-S295 PolarHBondContact O-N 2.91Å; A291-S295 PolarHBondContact O-OG 2.97Å; A291-S295 VanDerWaalsContact O-OG 3.09Å; A291-E325 HydrophobicContact CB-CB 4.1Å; A291-E325 HydrophobicContact CB-CG 3.72Å; A291-V326 HydrophobicContact CB-CG2 4Å; A291-V329 HydrophobicContact CB-CG2 4.38Å
292E91.5Very high93.8Very high175 Ų17529.5 Ų29.582%0.81820%0.197SC*.Hα-helixtrans-61.2-38.5171.2-65-167.5160.100111.3H290 S295 L296H290-E292 PolarHBondContact O-N 3.41Å; E292-S295 WeakPolarHBondContact O-CB 3.35Å; E292-S295 PolarHBondContact O-N 2.88Å; E292-L296 WeakPolarHBondContact O-CB 3.42Å; E292-L296 PolarHBondContact O-N 2.93Å
293L93.1Very high93.5Very high7 Ų732.4 Ų32.44%0.03721%0.213CC..Hα-helixtrans-75.8-35-177.4-15952.4000112.3V261 H290 A291 S295 L296 L297V261-L293 HydrophobicContact CB-CD1 3.75Å; V261-L293 HydrophobicContact CG1-CD1 3.85Å; V261-L293 HydrophobicContact CG2-CD1 3.77Å; V261-L293 HydrophobicContact CG2-CD2 4.12Å; V261-L293 HydrophobicContact CG2-CG 4.31Å; H290-L293 HydrophobicContact CB-CB 3.68Å; H290-L293 HydrophobicContact CB-CD2 4.24Å; H290-L293 CarbonylContact O-C 3.56Å; H290-L293 WeakPolarHBondContact O-CA 3.38Å; H290-L293 WeakPolarHBondContact O-CB 3.46Å; H290-L293 PolarHBondContact O-N 2.98Å; A291-L293 VanDerWaalsContact C-N 3.26Å; A291-L293 PolarHBondContact O-N 3.35Å; L293-S295 VanDerWaalsContact C-N 3.33Å; L293-L296 HydrophobicContact CD1-CB 4.43Å; L293-L296 HydrophobicContact CD1-CD1 4.14Å; L293-L296 PolarHBondContact O-N 2.95Å; L293-L297 WeakPolarHBondContact O-CB 3.49Å; L293-L297 VanDerWaalsContact O-CG 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.38Å; L293-L297 PolarHBondContact O-N 3.25Å
294A93.8Very high93.3Very high0 Ų033.5 Ų33.50%022%0.22CC..Hα-helixtrans-61.6-42.4167.700000110.9L282 H290 A291 L297 M298 V329L282-A294 HydrophobicContact CD1-CB 3.8Å; H290-A294 PolarHBondContact O-N 3.12Å; A291-A294 PolarHBondContact O-N 3.32Å; A294-L297 PolarHBondContact O-N 3.32Å; A294-M298 HydrophobicContact CB-CE 4.26Å; A294-M298 WeakPolarHBondContact O-CB 3.32Å; A294-M298 VanDerWaalsContact O-CE 3.3Å; A294-M298 WeakPolarHBondContact O-CE 3.48Å; A294-M298 WeakPolarHBondContact O-CG 3.46Å; A294-M298 PolarHBondContact O-N 3.4Å; A294-V329 HydrophobicContact CB-CG1 4.43Å
295S93.1Very high93.1Very high34 Ų3435.4 Ų35.424%0.23823%0.234CC..Hα-helixtrans-62.8-39.6173.8-65.60000112.9A291 E292 L293 G299 V329A291-S295 PolarHBondContact O-N 2.91Å; A291-S295 PolarHBondContact O-OG 2.97Å; A291-S295 VanDerWaalsContact O-OG 3.09Å; E292-S295 WeakPolarHBondContact O-CB 3.35Å; E292-S295 PolarHBondContact O-N 2.88Å; L293-S295 VanDerWaalsContact C-N 3.33Å; S295-G299 PolarHBondContact O-N 3.21Å; S295-V329 VanDerWaalsContact OG-CG1 3.28Å; S295-V329 WeakPolarHBondContact OG-CG1 3.47Å
296L93.3Very high93Very high41 Ų4135.6 Ų35.622%0.21524%0.235CC..Hα-helixtrans-67.1-49176.9-166.3170000110.9V261 L265 E292 L293 M298 G299 A300V261-L296 HydrophobicContact CG1-CD2 3.9Å; L265-L296 HydrophobicContact CD1-CD2 3.48Å; L265-L296 VanDerWaalsContact CD1-CD2 3.48Å; E292-L296 WeakPolarHBondContact O-CB 3.42Å; E292-L296 PolarHBondContact O-N 2.93Å; L293-L296 HydrophobicContact CD1-CB 4.43Å; L293-L296 HydrophobicContact CD1-CD1 4.14Å; L293-L296 PolarHBondContact O-N 2.95Å; L296-M298 PolarHBondContact O-N 3.14Å; L296-G299 CarbonylContact O-C 3.56Å; L296-G299 WeakPolarHBondContact O-CA 3.46Å; L296-G299 PolarHBondContact O-N 3.11Å; L296-G299 VanDerWaalsContact O-N 3.11Å; L296-A300 PolarHBondContact O-N 2.74Å
297L95Very high92.8Very high0 Ų039.3 Ų39.30%025%0.251CS..Hα-helixtrans-60.6-45.1177.5-74.1167.7000111.8L249 A253 V261 L265 P281 L282 A285 L293 A294 G299 A300 G301 A302L249-L297 HydrophobicContact CD1-CD2 4.39Å; A253-L297 HydrophobicContact CB-CD1 4.25Å; V261-L297 HydrophobicContact CG1-CD2 4Å; V261-L297 HydrophobicContact CG1-CG 4.44Å; L265-L297 HydrophobicContact CD1-CD2 4.45Å; P281-L297 HydrophobicContact CB-CD1 4.21Å; P281-L297 HydrophobicContact CB-CD2 4.24Å; L282-L297 HydrophobicContact CD1-CB 4.32Å; A285-L297 HydrophobicContact CB-CD1 3.96Å; L293-L297 WeakPolarHBondContact O-CB 3.49Å; L293-L297 VanDerWaalsContact O-CG 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.38Å; L293-L297 PolarHBondContact O-N 3.25Å; A294-L297 PolarHBondContact O-N 3.32Å; L297-G299 VanDerWaalsContact C-N 3.32Å; L297-G299 PolarHBondContact O-N 3.26Å; L297-A300 CarbonylContact O-C 3.54Å; L297-A300 WeakPolarHBondContact O-CA 3.48Å; L297-A300 WeakPolarHBondContact O-CB 3.21Å; L297-A300 PolarHBondContact O-N 2.89Å; L297-A300 VanDerWaalsContact O-N 3.11Å; L297-G301 PolarHBondContact O-N 2.91Å; L297-A302 HydrophobicContact CB-CB 3.97Å; L297-A302 WeakPolarHBondContact O-CB 3.49Å; L297-A302 PolarHBondContact O-N 3.16Å
298M93.5Very high92.7Very high20 Ų2038.6 Ų38.610%0.09925%0.25CC..Hα-helixtrans-66.6-33.1173.7-71-174.8-76.400112.4L282 A294 L296 A300 G301 P304 V329 L330 R333L282-M298 HydrophobicContact CD1-CG 4.1Å; L282-M298 HydrophobicContact CD2-CG 3.8Å; L282-M298 HydrophobicContact CD2-SD 4.33Å; A294-M298 HydrophobicContact CB-CE 4.26Å; A294-M298 WeakPolarHBondContact O-CB 3.32Å; A294-M298 VanDerWaalsContact O-CE 3.3Å; A294-M298 WeakPolarHBondContact O-CE 3.48Å; A294-M298 WeakPolarHBondContact O-CG 3.46Å; A294-M298 PolarHBondContact O-N 3.4Å; L296-M298 PolarHBondContact O-N 3.14Å; M298-A300 PolarHBondContact O-N 2.7Å; M298-G301 PolarHBondContact O-N 3.07Å; M298-P304 HydrophobicContact SD-CB 3.89Å; M298-P304 HydrophobicContact SD-CG 4.39Å; M298-V329 HydrophobicContact CE-CG1 3.61Å; M298-L330 HydrophobicContact CE-CD2 3.91Å; M298-L330 HydrophobicContact SD-CD2 3.94Å; M298-R333 HydrophobicContact CE-CB 3.94Å; M298-R333 HydrophobicContact CE-CG 3.76Å; M298-R333 HydrophobicContact SD-CB 3.51Å; M298-R333 VanDerWaalsContact SD-CB 3.51Å; M298-R333 HydrophobicContact SD-CG 3.92Å
299G91.6Very high92.5Very high62 Ų6243.5 Ų43.564%0.63926%0.264SS*.Hα-helixtrans-63.9-27.4170.200000113.7S295 L296 L297 G301S295-G299 PolarHBondContact O-N 3.21Å; L296-G299 CarbonylContact O-C 3.56Å; L296-G299 WeakPolarHBondContact O-CA 3.46Å; L296-G299 PolarHBondContact O-N 3.11Å; L296-G299 VanDerWaalsContact O-N 3.11Å; L297-G299 VanDerWaalsContact C-N 3.32Å; L297-G299 PolarHBondContact O-N 3.26Å; G299-G301 VanDerWaalsContact C-N 3.35Å
300A92Very high92.2Very high45 Ų4545 Ų4537%0.37227%0.265SS..THydrogen-bonded Turntrans-87.41.2171.300000113.8L265 V271 L296 L297 M298L265-A300 HydrophobicContact CD1-CB 3.82Å; L265-A300 HydrophobicContact CD2-CB 4.18Å; V271-A300 HydrophobicContact CG1-CB 4.41Å; V271-A300 HydrophobicContact CG2-CB 4.47Å; L296-A300 PolarHBondContact O-N 2.74Å; L297-A300 CarbonylContact O-C 3.54Å; L297-A300 WeakPolarHBondContact O-CA 3.48Å; L297-A300 WeakPolarHBondContact O-CB 3.21Å; L297-A300 PolarHBondContact O-N 2.89Å; L297-A300 VanDerWaalsContact O-N 3.11Å; M298-A300 PolarHBondContact O-N 2.7Å
301G92Very high91.9Very high55 Ų5543 Ų4357%0.56726%0.259SS*.THydrogen-bonded Turntrans98.212.5175.800000116.3L297 M298 G299 N303L297-G301 PolarHBondContact O-N 2.91Å; M298-G301 PolarHBondContact O-N 3.07Å; G299-G301 VanDerWaalsContact C-N 3.35Å; G301-N303 PolarHBondContact O-N 2.94Å
302A93.7Very high92Very high3 Ų343.9 Ų43.93%0.02526%0.261CS..  trans-61132173.600000111.1V271 L282 L297 P304V271-A302 HydrophobicContact CG1-CB 3.62Å; L282-A302 HydrophobicContact CB-CB 4.12Å; L282-A302 HydrophobicContact CD2-CB 4Å; L297-A302 HydrophobicContact CB-CB 3.97Å; L297-A302 WeakPolarHBondContact O-CB 3.49Å; L297-A302 PolarHBondContact O-N 3.16Å; A302-P304 VanDerWaalsContact O-CD 3.29Å; A302-P304 WeakPolarHBondContact O-CD 3.39Å
303N91.9Very high92.2Very high61 Ų6135.5 Ų35.533%0.32622%0.222SC..  trans-78116.3-175.6179.715.2000112.8D272 G301 S305 A306D272-N303 PolarHBondContact OD1-N 3.07Å; D272-N303 WeakPolarHBondContact OD2-CB 3.46Å; D272-N303 PolarHBondContact OD2-N 3.3Å; G301-N303 PolarHBondContact O-N 2.94Å; N303-S305 PolarHBondContact ND2-OG 3.46Å; N303-S305 VanDerWaalsContact ND2-OG 3.16Å; N303-S305 PolarHBondContact O-N 3.44Å; N303-S305 PolarHBondContact OD1-N 3.35Å; N303-S305 PolarHBondContact OD1-OG 2.89Å; N303-A306 HydrophobicContact CB-CB 4.23Å; N303-A306 PolarHBondContact ND2-N 2.86Å; N303-A306 VanDerWaalsContact O-CB 3.29Å; N303-A306 WeakPolarHBondContact O-CB 3.31Å; N303-A306 PolarHBondContact O-N 3.29Å; N303-A306 VanDerWaalsContact O-N 3.12Å
304P91.3Very high92.3Very high24 Ų2435.2 Ų35.216%0.15622%0.22CC..THydrogen-bonded Turntrans-66.7-17.2176.427.8-35.1000114.5M298 A302 P314 L330 A335M298-P304 HydrophobicContact SD-CB 3.89Å; M298-P304 HydrophobicContact SD-CG 4.39Å; A302-P304 VanDerWaalsContact O-CD 3.29Å; A302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-P314 WeakPolarHBondContact O-CD 3.34Å; P304-L330 HydrophobicContact CB-CD2 4.38Å; P304-A335 HydrophobicContact CB-CB 4.24Å
305S90.9Very high92.4Very high56 Ų5635.2 Ų35.239%0.39222%0.22SC..THydrogen-bonded Turntrans-99.810.9174.269.40000113.8N303 K307N303-S305 PolarHBondContact ND2-OG 3.46Å; N303-S305 VanDerWaalsContact ND2-OG 3.16Å; N303-S305 PolarHBondContact O-N 3.44Å; N303-S305 PolarHBondContact OD1-N 3.35Å; N303-S305 PolarHBondContact OD1-OG 2.89Å; S305-K307 PolarHBondContact O-N 2.95Å
306A92.5Very high92.6Very high3 Ų333.6 Ų33.63%0.02521%0.209CC..  trans-57138.9173.600000110.6T280 H283 N303 T313 P314T280-A306 HydrophobicContact CG2-CB 4.32Å; H283-A306 PolarHBondContact CE1-O 3.44Å; H283-A306 PolarHBondContact NE2-O 2.93Å; N303-A306 HydrophobicContact CB-CB 4.23Å; N303-A306 PolarHBondContact ND2-N 2.86Å; N303-A306 VanDerWaalsContact O-CB 3.29Å; N303-A306 WeakPolarHBondContact O-CB 3.31Å; N303-A306 PolarHBondContact O-N 3.29Å; N303-A306 VanDerWaalsContact O-N 3.12Å; A306-T313 WeakPolarHBondContact O-CA 3.48Å; A306-P314 VanDerWaalsContact O-CD 3.27Å; A306-P314 WeakPolarHBondContact O-CD 3.22Å
307K92.7Very high92.7Very high78 Ų7831.9 Ų31.934%0.33920%0.2SC..  trans-114.6143.9178.5-69.9-172.9179.9-163.80112.6S305 G311 L312 T313 D339 R340S305-K307 PolarHBondContact O-N 2.95Å; K307-G311 WeakPolarHBondContact CD-O 3.47Å; K307-L312 CarbonylContact C-O 3.59Å; K307-L312 VanDerWaalsContact CA-O 3.3Å; K307-L312 WeakPolarHBondContact CA-O 3.32Å; K307-T313 HydrophobicContact CD-CG2 4.33Å; K307-T313 HydrophobicContact CG-CG2 3.72Å; K307-D339 WeakPolarHBondContact CE-OD1 3.44Å; K307-D339 IonicContact NZ-OD1 3.53Å; K307-D339 PolarHBondContact NZ-OD1 3Å; K307-R340 PolarHBondContact NZ-O 3.38Å
308T92.7Very high92.7Very high14 Ų1431.9 Ų31.99%0.08620%0.2CC..  trans-73.6176.9165.270.70000111.4L279 N310 G311 L312 M317L279-T308 HydrophobicContact CD2-CG2 3.69Å; L279-T308 HydrophobicContact CG-CG2 4.4Å; T308-N310 PolarHBondContact O-N 3.44Å; T308-N310 PolarHBondContact OG1-N 3.26Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-L312 HydrophobicContact CG2-CB 4.26Å; T308-L312 PolarHBondContact N-O 3.1Å; T308-L312 PolarHBondContact OG1-N 3.31Å; T308-M317 HydrophobicContact CG2-CE 3.65Å
309R87.6Confident92.8Very high135 Ų13530.9 Ų30.951%0.50920%0.195SC..THydrogen-bonded Turntrans-53.9-35.1173.5-70.2-174.7-169.5-142-2.5113.3R276 D277 G311R276-R309 PolarHBondContact O-NE 3.06Å; R276-R309 PolarHBondContact O-NH2 2.87Å; D277-R309 PolarHBondContact O-N 2.86Å; D277-R309 VanDerWaalsContact O-N 3.11Å; R309-G311 VanDerWaalsContact C-N 3.3Å; R309-G311 PolarHBondContact O-N 3.24Å
310N86Confident92.9Very high62 Ų6230.2 Ų30.233%0.33218%0.175SC..THydrogen-bonded Turntrans-86.64.9-180-57.731.2000113.1T308 L312 T341 G342 C1853T308-N310 PolarHBondContact O-N 3.44Å; T308-N310 PolarHBondContact OG1-N 3.26Å; N310-L312 PolarHBondContact O-N 2.79Å; N310-T341 WeakPolarHBondContact O-CB 3.32Å; N310-G342 PolarHBondContact O-N 2.84Å; N310-G342 VanDerWaalsContact O-N 3.12Å; N310-C1853 PolarHBondContact ND2-O 3.35Å
311G89.5Confident92.5Very high12 Ų1228.4 Ų28.412%0.12416%0.161CC..  trans82.13-179.500000115.8K307 T308 R309K307-G311 WeakPolarHBondContact CD-O 3.47Å; T308-G311 PolarHBondContact O-N 3.02Å; R309-G311 VanDerWaalsContact C-N 3.3Å; R309-G311 PolarHBondContact O-N 3.24Å
312L94Very high92.5Very high34 Ų3428 Ų2818%0.17815%0.146CC..  trans-66.7137.1176.7-64.4161.9000110.4H283 K307 T308 N310 H316 M317 T341H283-L312 PolarHBondContact NE2-O 3.48Å; K307-L312 CarbonylContact C-O 3.59Å; K307-L312 VanDerWaalsContact CA-O 3.3Å; K307-L312 WeakPolarHBondContact CA-O 3.32Å; T308-L312 HydrophobicContact CG2-CB 4.26Å; T308-L312 PolarHBondContact N-O 3.1Å; T308-L312 PolarHBondContact OG1-N 3.31Å; N310-L312 PolarHBondContact O-N 2.79Å; L312-H316 HydrophobicContact CB-CB 4.25Å; L312-H316 HydrophobicContact CD2-CB 3.7Å; L312-M317 HydrophobicContact CB-CE 3.76Å; L312-M317 HydrophobicContact CD1-CE 3.84Å; L312-M317 HydrophobicContact CG-CE 4.43Å; L312-T341 HydrophobicContact CD2-CG2 3.6Å; L312-T341 HydrophobicContact CG-CG2 4.18Å
313T95.8Very high92.5Very high0 Ų029 Ų290%015%0.15CC..  trans-101.9168.3172.863.50000111.8A306 K307 L315 H316 M317 D339A306-T313 WeakPolarHBondContact O-CA 3.48Å; K307-T313 HydrophobicContact CD-CG2 4.33Å; K307-T313 HydrophobicContact CG-CG2 3.72Å; T313-L315 PolarHBondContact O-N 3.49Å; T313-L315 VanDerWaalsContact O-N 3.1Å; T313-H316 PolarHBondContact N-ND1 2.9Å; T313-H316 WeakPolarHBondContact O-CA 3.3Å; T313-H316 WeakPolarHBondContact O-CB 3.33Å; T313-H316 PolarHBondContact O-N 3.41Å; T313-H316 PolarHBondContact OG1-ND1 3.02Å; T313-M317 PolarHBondContact O-N 3.23Å; T313-M317 VanDerWaalsContact O-N 3.12Å; T313-D339 HydrophobicContact CG2-CB 4.15Å
314P95.9Very high92.6Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-51.3-31.6170.3-3036.4000114.1L282 A286 P304 A306 M317 A318 L330L282-P314 HydrophobicContact CD2-CB 4.47Å; L282-P314 HydrophobicContact CD2-CG 4.02Å; L282-P314 HydrophobicContact CG-CB 4.17Å; L282-P314 HydrophobicContact CG-CG 3.96Å; A286-P314 HydrophobicContact CB-CB 3.96Å; A286-P314 WeakPolarHBondContact CB-O 3.47Å; P304-P314 WeakPolarHBondContact O-CD 3.34Å; A306-P314 VanDerWaalsContact O-CD 3.27Å; A306-P314 WeakPolarHBondContact O-CD 3.22Å; P314-M317 WeakPolarHBondContact O-CB 3.42Å; P314-M317 PolarHBondContact O-N 3.3Å; P314-A318 PolarHBondContact O-N 3.42Å; P314-L330 VanDerWaalsContact C-CD1 3.48Å; P314-L330 HydrophobicContact CB-CD1 3.83Å; P314-L330 HydrophobicContact CB-CD2 3.93Å; P314-L330 WeakPolarHBondContact O-CD1 3.46Å
315L96.4Very high92.7Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-70.9-33176.8-173.759.1000112.4T313 M317 A318 A319 A327 L330 I331 A335 V337 P347 L363T313-L315 PolarHBondContact O-N 3.49Å; T313-L315 VanDerWaalsContact O-N 3.1Å; L315-M317 VanDerWaalsContact C-N 3.34Å; L315-A318 PolarHBondContact O-N 3.27Å; L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.22Å; L315-A327 HydrophobicContact CD1-CB 4Å; L315-L330 HydrophobicContact CB-CD1 4.33Å; L315-L330 HydrophobicContact CD1-CB 4.37Å; L315-L330 HydrophobicContact CD1-CD1 4.46Å; L315-I331 HydrophobicContact CD1-CD1 4.23Å; L315-I331 HydrophobicContact CD1-CG1 4.03Å; L315-I331 HydrophobicContact CD2-CD1 4.49Å; L315-I331 HydrophobicContact CD2-CG1 3.97Å; L315-A335 HydrophobicContact CB-CB 4.23Å; L315-A335 HydrophobicContact CD2-CB 4.21Å; L315-V337 HydrophobicContact CD2-CG1 4.32Å; L315-P347 HydrophobicContact CB-CG 4.47Å; L315-P347 HydrophobicContact CD2-CG 4.07Å; L315-P347 HydrophobicContact CG-CB 4.19Å; L315-P347 HydrophobicContact CG-CG 4Å; L315-L363 HydrophobicContact CD1-CD2 4.33Å; L315-L363 HydrophobicContact CD2-CD2 4.07Å; L315-L363 HydrophobicContact CG-CD2 4.28Å
316H96.3Very high92.9Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-66.6-36.4169-66.880.6000111.5L312 T313 A319 Q320 D339 L345 P347L312-H316 HydrophobicContact CB-CB 4.25Å; L312-H316 HydrophobicContact CD2-CB 3.7Å; T313-H316 PolarHBondContact N-ND1 2.9Å; T313-H316 WeakPolarHBondContact O-CA 3.3Å; T313-H316 WeakPolarHBondContact O-CB 3.33Å; T313-H316 PolarHBondContact O-N 3.41Å; T313-H316 PolarHBondContact OG1-ND1 3.02Å; H316-A319 PolarHBondContact O-N 2.64Å; H316-Q320 PolarHBondContact O-N 3.19Å; H316-D339 PolarHBondContact CE1-O 3.19Å; H316-L345 PolarHBondContact NE2-O 2.66Å; H316-P347 WeakPolarHBondContact NE2-CD 3.42Å
317M95.2Very high93.1Very high5 Ų530.6 Ų30.63%0.02515%0.147CC..Hα-helixtrans-66.9-39.4175.8-58.5-56.5178.900112.3L279 H283 A286 R287 T308 L312 T313 P314 L315 Q320 G321 Q1850L279-M317 HydrophobicContact CD2-CE 3.56Å; H283-M317 HydrophobicContact CB-CG 4.22Å; A286-M317 HydrophobicContact CB-CB 4.36Å; R287-M317 HydrophobicContact CB-CB 4.19Å; T308-M317 HydrophobicContact CG2-CE 3.65Å; L312-M317 HydrophobicContact CB-CE 3.76Å; L312-M317 HydrophobicContact CD1-CE 3.84Å; L312-M317 HydrophobicContact CG-CE 4.43Å; T313-M317 PolarHBondContact O-N 3.23Å; T313-M317 VanDerWaalsContact O-N 3.12Å; P314-M317 WeakPolarHBondContact O-CB 3.42Å; P314-M317 PolarHBondContact O-N 3.3Å; L315-M317 VanDerWaalsContact C-N 3.34Å; M317-Q320 PolarHBondContact O-N 3.45Å; M317-G321 PolarHBondContact O-N 3.25Å; M317-Q1850 PolarHBondContact SD-NE2 3.13Å; M317-Q1850 PolarHBondContact SD-OE1 2.9Å
318A95.8Very high93.2Very high0 Ų032 Ų320%015%0.151CC..Hα-helixtrans-64.6-41.6172.500000111.7A286 P314 L315 Q320 G321 N322 N323 V326 A327 L330A286-A318 WeakPolarHBondContact O-CA 3.31Å; P314-A318 PolarHBondContact O-N 3.42Å; L315-A318 PolarHBondContact O-N 3.27Å; A318-Q320 VanDerWaalsContact C-N 3.35Å; A318-Q320 PolarHBondContact O-N 2.94Å; A318-G321 PolarHBondContact O-N 2.7Å; A318-N322 PolarHBondContact O-N 2.72Å; A318-N323 HydrophobicContact CB-CB 4.34Å; A318-N323 PolarHBondContact O-N 3.08Å; A318-V326 HydrophobicContact CB-CB 4.22Å; A318-V326 HydrophobicContact CB-CG1 3.73Å; A318-A327 HydrophobicContact CB-CB 4.25Å; A318-L330 HydrophobicContact CB-CD1 4.19Å
319A95Very high93.2Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-64.2-32.1177.100000113.9L315 H316 P347 V350 A351 N356 V359 L363L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.22Å; H316-A319 PolarHBondContact O-N 2.64Å; A319-P347 HydrophobicContact CB-CB 4.19Å; A319-P347 WeakPolarHBondContact CB-O 3.28Å; A319-V350 HydrophobicContact CB-CB 4.36Å; A319-V350 HydrophobicContact CB-CG1 4.28Å; A319-A351 HydrophobicContact CB-CB 4.49Å; A319-N356 PolarHBondContact O-ND2 3.15Å; A319-V359 HydrophobicContact CB-CG1 4.11Å; A319-L363 HydrophobicContact CB-CD1 4.47Å
320Q92.7Very high93.6Very high47 Ų4725.6 Ų25.622%0.2213%0.126CC..Hα-helixtrans-80.7-21.4176.3-172.3162.4-600114.2H316 M317 A318 V350 N356 E1849 Q1850H316-Q320 PolarHBondContact O-N 3.19Å; M317-Q320 PolarHBondContact O-N 3.45Å; A318-Q320 VanDerWaalsContact C-N 3.35Å; A318-Q320 PolarHBondContact O-N 2.94Å; Q320-V350 HydrophobicContact CB-CG1 3.71Å; Q320-V350 HydrophobicContact CG-CG1 4.44Å; Q320-N356 PolarHBondContact O-ND2 3.38Å; Q320-E1849 PolarHBondContact NE2-O 2.91Å; Q320-E1849 VanDerWaalsContact NE2-O 3.16Å; Q320-Q1850 VanDerWaalsContact CD-NE2 3.31Å
321G85.3Confident94Very high7 Ų723.9 Ų23.97%0.07212%0.117CC..THydrogen-bonded Turntrans-10618.8179.100000114.9M317 A318 N323 E1846M317-G321 PolarHBondContact O-N 3.25Å; A318-G321 PolarHBondContact O-N 2.7Å; G321-N323 VanDerWaalsContact O-CG 3.26Å; G321-N323 PolarHBondContact O-N 3.46Å; G321-N323 PolarHBondContact O-ND2 2.89Å; G321-N323 PolarHBondContact O-OD1 3.26Å; G321-E1846 VanDerWaalsContact C-OE2 3.24Å
322N91.1Very high94.1Very high48 Ų4830.4 Ų30.426%0.25715%0.148SC..THydrogen-bonded Turntrans44.234.2-172.3-161.955.7000114.6A318 E324 N356 E1846A318-N322 PolarHBondContact O-N 2.72Å; N322-E324 PolarHBondContact O-N 3.41Å; N322-N356 HydrophobicContact CB-CB 4.1Å; N322-N356 PolarHBondContact N-ND2 2.92Å; N322-N356 WeakPolarHBondContact OD1-CB 3.47Å; N322-E1846 VanDerWaalsContact CB-OE2 3.3Å; N322-E1846 WeakPolarHBondContact CB-OE2 3.41Å; N322-E1846 PolarHBondContact N-OE2 3.18Å
323N93.7Very high93.8Very high22 Ų2235.1 Ų35.112%0.11816%0.164CC..  trans-83.477.4-172.4-65.7-52.8000111.4A286 R287 G289 A318 G321 E325 V326 A327A286-N323 PolarHBondContact O-ND2 3.27Å; R287-N323 PolarHBondContact O-ND2 3.11Å; G289-N323 WeakPolarHBondContact CA-OD1 3.42Å; G289-N323 PolarHBondContact N-ND2 3.44Å; G289-N323 PolarHBondContact N-OD1 2.93Å; A318-N323 HydrophobicContact CB-CB 4.34Å; A318-N323 PolarHBondContact O-N 3.08Å; G321-N323 VanDerWaalsContact O-CG 3.26Å; G321-N323 PolarHBondContact O-N 3.46Å; G321-N323 PolarHBondContact O-ND2 2.89Å; G321-N323 PolarHBondContact O-OD1 3.26Å; N323-E325 PolarHBondContact O-N 3.33Å; N323-V326 HydrophobicContact CB-CB 3.81Å; N323-V326 HydrophobicContact CB-CG2 3.89Å; N323-V326 WeakPolarHBondContact O-CB 3.32Å; N323-V326 PolarHBondContact O-N 3.16Å; N323-A327 PolarHBondContact O-N 2.85Å
324E94.4Very high93.4Very high68 Ų6838 Ų3832%0.31819%0.193SC..Hα-helixtrans-49.4-56-176.5-68.8-178.4-132.700114.2N322 V326 A327 R328 E358 V359 I362N322-E324 PolarHBondContact O-N 3.41Å; E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.1Å; E324-A327 WeakPolarHBondContact O-CB 3.25Å; E324-A327 PolarHBondContact O-N 2.76Å; E324-A327 VanDerWaalsContact O-N 3.08Å; E324-R328 WeakPolarHBondContact O-CG 3.46Å; E324-R328 PolarHBondContact O-N 3.04Å; E324-R328 IonicContact OE2-NH2 2.68Å; E324-E358 VanDerWaalsContact CD-CB 3.4Å; E324-E358 HydrophobicContact CG-CB 3.84Å; E324-E358 WeakPolarHBondContact OE1-CB 3.48Å; E324-V359 HydrophobicContact CG-CG2 4.12Å; E324-I362 HydrophobicContact CB-CD1 3.65Å; E324-I362 HydrophobicContact CG-CD1 3.79Å
325E94.1Very high93.2Very high110 Ų11038.3 Ų38.351%0.51420%0.196SC..Hα-helixtrans-68.7-33.1-175.1-172.356.1-155.600111.8A291 N323 R328 V329A291-E325 HydrophobicContact CB-CB 4.1Å; A291-E325 HydrophobicContact CB-CG 3.72Å; N323-E325 PolarHBondContact O-N 3.33Å; E325-R328 PolarHBondContact O-N 3.3Å; E325-V329 VanDerWaalsContact O-CB 3.27Å; E325-V329 WeakPolarHBondContact O-CB 3.4Å; E325-V329 VanDerWaalsContact O-CG2 3.28Å; E325-V329 WeakPolarHBondContact O-CG2 3.14Å; E325-V329 PolarHBondContact O-N 3.42Å
326V94.9Very high93.1Very high1 Ų140.8 Ų40.81%0.00621%0.213CC..Hα-helixtrans-62-44.8169.8175.10000110.6A286 G289 A291 A318 N323 E324 V329 L330A286-V326 HydrophobicContact CB-CG1 3.67Å; G289-V326 VanDerWaalsContact C-CG2 3.45Å; A291-V326 HydrophobicContact CB-CG2 4Å; A318-V326 HydrophobicContact CB-CB 4.22Å; A318-V326 HydrophobicContact CB-CG1 3.73Å; N323-V326 HydrophobicContact CB-CB 3.81Å; N323-V326 HydrophobicContact CB-CG2 3.89Å; N323-V326 WeakPolarHBondContact O-CB 3.32Å; N323-V326 PolarHBondContact O-N 3.16Å; E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.1Å; V326-V329 PolarHBondContact O-N 3.34Å; V326-L330 HydrophobicContact CG1-CD1 3.77Å; V326-L330 HydrophobicContact CG1-CG 4.2Å; V326-L330 WeakPolarHBondContact O-CB 3.48Å; V326-L330 VanDerWaalsContact O-CG 3.29Å; V326-L330 WeakPolarHBondContact O-CG 3.35Å; V326-L330 PolarHBondContact O-N 3.13Å
327A95.1Very high92.9Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-62.4-45178.900000111.3L315 A318 N323 E324 L330 I331 V359 I362L315-A327 HydrophobicContact CD1-CB 4Å; A318-A327 HydrophobicContact CB-CB 4.25Å; N323-A327 PolarHBondContact O-N 2.85Å; E324-A327 WeakPolarHBondContact O-CB 3.25Å; E324-A327 PolarHBondContact O-N 2.76Å; E324-A327 VanDerWaalsContact O-N 3.08Å; A327-L330 PolarHBondContact O-N 3.27Å; A327-I331 WeakPolarHBondContact O-CB 3.25Å; A327-I331 WeakPolarHBondContact O-CD1 3.49Å; A327-I331 VanDerWaalsContact O-CG1 3.25Å; A327-I331 WeakPolarHBondContact O-CG1 3.48Å; A327-I331 PolarHBondContact O-N 3Å; A327-V359 HydrophobicContact CB-CG1 4Å; A327-I362 HydrophobicContact CB-CG2 4.34Å
328R95.1Very high92.7Very high107 Ų10744.5 Ų44.540%0.40424%0.242SC..Hα-helixtrans-58-48.8173.2-65.4178.4-163.8-77.2-0.9111.5E324 E325 L330 I331 L332 I362E324-R328 WeakPolarHBondContact O-CG 3.46Å; E324-R328 PolarHBondContact O-N 3.04Å; E324-R328 IonicContact OE2-NH2 2.68Å; E325-R328 PolarHBondContact O-N 3.3Å; R328-L330 PolarHBondContact O-N 3.3Å; R328-I331 PolarHBondContact O-N 3.19Å; R328-L332 WeakPolarHBondContact O-CB 3.46Å; R328-L332 PolarHBondContact O-N 2.95Å; R328-I362 HydrophobicContact CG-CD1 4.15Å; R328-I362 HydrophobicContact CG-CG1 4.49Å; R328-I362 HydrophobicContact CG-CG2 4.14Å
329V93.7Very high92.6Very high14 Ų1445.9 Ų45.99%0.08525%0.25CC..Hα-helixtrans-61.9-41.5178.7159.70000112.4A291 A294 S295 M298 E325 V326 R333A291-V329 HydrophobicContact CB-CG2 4.38Å; A294-V329 HydrophobicContact CB-CG1 4.43Å; S295-V329 VanDerWaalsContact OG-CG1 3.28Å; S295-V329 WeakPolarHBondContact OG-CG1 3.47Å; M298-V329 HydrophobicContact CE-CG1 3.61Å; E325-V329 VanDerWaalsContact O-CB 3.27Å; E325-V329 WeakPolarHBondContact O-CB 3.4Å; E325-V329 VanDerWaalsContact O-CG2 3.28Å; E325-V329 WeakPolarHBondContact O-CG2 3.14Å; E325-V329 PolarHBondContact O-N 3.42Å; V326-V329 PolarHBondContact O-N 3.34Å; V329-R333 WeakPolarHBondContact O-CB 3.43Å; V329-R333 WeakPolarHBondContact O-CG 3.49Å; V329-R333 PolarHBondContact O-N 3.39Å; V329-R333 VanDerWaalsContact O-N 3.14Å
330L95.3Very high92.4Very high0 Ų051.2 Ų51.20%027%0.27CS..Hα-helixtrans-67.5-46.2177.8-75.6172.3000112L282 A286 M298 P304 P314 L315 A318 V326 A327 R328 R333 G334 A335L282-L330 HydrophobicContact CD1-CD2 4.41Å; L282-L330 HydrophobicContact CD2-CD2 4.44Å; A286-L330 HydrophobicContact CB-CD1 4.11Å; M298-L330 HydrophobicContact CE-CD2 3.91Å; M298-L330 HydrophobicContact SD-CD2 3.94Å; P304-L330 HydrophobicContact CB-CD2 4.38Å; P314-L330 VanDerWaalsContact C-CD1 3.48Å; P314-L330 HydrophobicContact CB-CD1 3.83Å; P314-L330 HydrophobicContact CB-CD2 3.93Å; P314-L330 WeakPolarHBondContact O-CD1 3.46Å; L315-L330 HydrophobicContact CB-CD1 4.33Å; L315-L330 HydrophobicContact CD1-CB 4.37Å; L315-L330 HydrophobicContact CD1-CD1 4.46Å; A318-L330 HydrophobicContact CB-CD1 4.19Å; V326-L330 HydrophobicContact CG1-CD1 3.77Å; V326-L330 HydrophobicContact CG1-CG 4.2Å; V326-L330 WeakPolarHBondContact O-CB 3.48Å; V326-L330 VanDerWaalsContact O-CG 3.29Å; V326-L330 WeakPolarHBondContact O-CG 3.35Å; V326-L330 PolarHBondContact O-N 3.13Å; A327-L330 PolarHBondContact O-N 3.27Å; R328-L330 PolarHBondContact O-N 3.3Å; L330-R333 CarbonylContact O-C 3.43Å; L330-R333 PolarHBondContact O-N 3.32Å; L330-R333 VanDerWaalsContact O-N 3.14Å; L330-G334 PolarHBondContact O-N 3.12Å; L330-G334 VanDerWaalsContact O-N 3.17Å; L330-A335 HydrophobicContact CB-CB 3.9Å; L330-A335 VanDerWaalsContact O-CB 3.29Å; L330-A335 WeakPolarHBondContact O-CB 3.3Å; L330-A335 PolarHBondContact O-N 3.23Å
331I94.2Very high92.4Very high27 Ų2749.5 Ų49.514%0.13826%0.263CS..Hα-helixtrans-63.1-45.8178.4-65.9164.9000110.1L315 A327 R328 R333 G334 V337 I362 L363 N366L315-I331 HydrophobicContact CD1-CD1 4.23Å; L315-I331 HydrophobicContact CD1-CG1 4.03Å; L315-I331 HydrophobicContact CD2-CD1 4.49Å; L315-I331 HydrophobicContact CD2-CG1 3.97Å; A327-I331 WeakPolarHBondContact O-CB 3.25Å; A327-I331 WeakPolarHBondContact O-CD1 3.49Å; A327-I331 VanDerWaalsContact O-CG1 3.25Å; A327-I331 WeakPolarHBondContact O-CG1 3.48Å; A327-I331 PolarHBondContact O-N 3Å; R328-I331 PolarHBondContact O-N 3.19Å; I331-R333 PolarHBondContact O-N 3.21Å; I331-R333 VanDerWaalsContact O-N 3.15Å; I331-G334 PolarHBondContact O-N 2.86Å; I331-V337 HydrophobicContact CD1-CG1 3.79Å; I331-V337 HydrophobicContact CG1-CG1 3.91Å; I331-V337 HydrophobicContact CG2-CG1 4.41Å; I331-I362 HydrophobicContact CD1-CG2 4Å; I331-L363 HydrophobicContact CD1-CD2 4.32Å; I331-N366 HydrophobicContact CD1-CB 4.31Å; I331-N366 HydrophobicContact CG2-CB 4.12Å
332L91.8Very high92.4Very high149 Ų14952.1 Ų52.178%0.7829%0.29SS*.Hα-helixtrans-60.4-24175.5-178.161.3000113.3R328R328-L332 WeakPolarHBondContact O-CB 3.46Å; R328-L332 PolarHBondContact O-N 2.95Å
333R88.1Confident92.3Very high133 Ų13354.2 Ų54.250%0.50230%0.301SS..THydrogen-bonded Turntrans-97.79.2175.6-64.9-65.8-172.7127.97.1113.9M298 V329 L330 I331M298-R333 HydrophobicContact CE-CB 3.94Å; M298-R333 HydrophobicContact CE-CG 3.76Å; M298-R333 HydrophobicContact SD-CB 3.51Å; M298-R333 VanDerWaalsContact SD-CB 3.51Å; M298-R333 HydrophobicContact SD-CG 3.92Å; V329-R333 WeakPolarHBondContact O-CB 3.43Å; V329-R333 WeakPolarHBondContact O-CG 3.49Å; V329-R333 PolarHBondContact O-N 3.39Å; V329-R333 VanDerWaalsContact O-N 3.14Å; L330-R333 CarbonylContact O-C 3.43Å; L330-R333 PolarHBondContact O-N 3.32Å; L330-R333 VanDerWaalsContact O-N 3.14Å; I331-R333 PolarHBondContact O-N 3.21Å; I331-R333 VanDerWaalsContact O-N 3.15Å
334G86.9Confident92Very high60 Ų6054.7 Ų54.762%0.61931%0.306SS*.THydrogen-bonded Turntrans94.917.1170.800000115.9L330 I331L330-G334 PolarHBondContact O-N 3.12Å; L330-G334 VanDerWaalsContact O-N 3.17Å; I331-G334 PolarHBondContact O-N 2.86Å
335A92.6Very high92Very high6 Ų653.6 Ų53.65%0.0530%0.302CS..  trans-66.8130.4166.400000110.4P304 L315 L330 V337P304-A335 HydrophobicContact CB-CB 4.24Å; L315-A335 HydrophobicContact CB-CB 4.23Å; L315-A335 HydrophobicContact CD2-CB 4.21Å; L330-A335 HydrophobicContact CB-CB 3.9Å; L330-A335 VanDerWaalsContact O-CB 3.29Å; L330-A335 WeakPolarHBondContact O-CB 3.3Å; L330-A335 PolarHBondContact O-N 3.23Å; A335-V337 PolarHBondContact O-N 3.17Å
336S92.9Very high92.2Very high53 Ų5348.5 Ų48.537%0.37128%0.279SS..  trans-76.5124.7-178.5-176.50000111.6A338 D339S336-A338 PolarHBondContact O-N 3.42Å; S336-A338 PolarHBondContact OG-N 2.77Å; S336-D339 PolarHBondContact O-N 3.43Å; S336-D339 PolarHBondContact OG-N 3.45Å
337V93.5Very high92.2Very high18 Ų1848.5 Ų48.511%0.10928%0.278CS..THydrogen-bonded Turntrans-66.6-15.2169.3-60.40000112.9L315 I331 A335 L363 N366 C368L315-V337 HydrophobicContact CD2-CG1 4.32Å; I331-V337 HydrophobicContact CD1-CG1 3.79Å; I331-V337 HydrophobicContact CG1-CG1 3.91Å; I331-V337 HydrophobicContact CG2-CG1 4.41Å; A335-V337 PolarHBondContact O-N 3.17Å; V337-L363 HydrophobicContact CB-CD2 4.3Å; V337-L363 HydrophobicContact CG1-CD2 4.03Å; V337-N366 HydrophobicContact CG1-CB 4.06Å; V337-C368 HydrophobicContact CB-CB 4.03Å; V337-C368 HydrophobicContact CG2-CB 4.21Å; V337-C368 PolarHBondContact O-SG 3.09Å
338A91.3Very high92.3Very high64 Ų6448.5 Ų48.553%0.52928%0.278SS..THydrogen-bonded Turntrans-102.27.4178.900000113.5S336S336-A338 PolarHBondContact O-N 3.42Å; S336-A338 PolarHBondContact OG-N 2.77Å
339D92.3Very high92.4Very high29 Ų2943.4 Ų43.416%0.15526%0.259CS..  trans-60.2145.3174-112.9-50.3000111.5K307 T313 H316 S336 T346 P347K307-D339 WeakPolarHBondContact CE-OD1 3.44Å; K307-D339 IonicContact NZ-OD1 3.53Å; K307-D339 PolarHBondContact NZ-OD1 3Å; T313-D339 HydrophobicContact CG2-CB 4.15Å; H316-D339 PolarHBondContact CE1-O 3.19Å; S336-D339 PolarHBondContact O-N 3.43Å; S336-D339 PolarHBondContact OG-N 3.45Å; D339-T346 WeakPolarHBondContact O-CA 3.48Å; D339-P347 WeakPolarHBondContact O-CD 3.5Å
340R92.3Very high92.5Very high112 Ų11243.4 Ų43.442%0.42326%0.259SS..  trans-121.7147.1-179-69.1-175-174.3-166.5-0113.9K307 L345 T346K307-R340 PolarHBondContact NZ-O 3.38Å; R340-L345 CarbonylContact C-O 3.46Å; R340-L345 VanDerWaalsContact CA-O 3.26Å; R340-L345 WeakPolarHBondContact CA-O 3.23Å; R340-T346 HydrophobicContact CG-CG2 4.11Å
341T91.9Very high92.5Very high12 Ų1243.4 Ų43.47%0.07426%0.259CS..  trans-75.9-178.9165.5700000111.9N310 L312 D343 S344 L345N310-T341 WeakPolarHBondContact O-CB 3.32Å; L312-T341 HydrophobicContact CD2-CG2 3.6Å; L312-T341 HydrophobicContact CG-CG2 4.18Å; T341-D343 VanDerWaalsContact C-N 3.33Å; T341-D343 PolarHBondContact O-N 2.89Å; T341-D343 PolarHBondContact OG1-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.39Å; T341-S344 PolarHBondContact O-N 3.48Å; T341-L345 HydrophobicContact CG2-CB 4.14Å; T341-L345 PolarHBondContact N-O 3.27Å; T341-L345 WeakPolarHBondContact OG1-CB 3.09Å; T341-L345 PolarHBondContact OG1-N 3.46Å
342G84.8Confident92.6Very high62 Ų6242.1 Ų42.164%0.63925%0.253SS*.THydrogen-bonded Turntrans-55-45.9169.300000112.8N310 S344N310-G342 PolarHBondContact O-N 2.84Å; N310-G342 VanDerWaalsContact O-N 3.12Å; G342-S344 PolarHBondContact O-N 3.05Å
343D88.5Confident92.8Very high92 Ų9239 Ų3949%0.49223%0.234SC..THydrogen-bonded Turntrans-76.515.8179.8-26.2-83.4000113.6T341 L345 L375T341-D343 VanDerWaalsContact C-N 3.33Å; T341-D343 PolarHBondContact O-N 2.89Å; T341-D343 PolarHBondContact OG1-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.39Å; D343-L345 HydrophobicContact CB-CD1 4.31Å; D343-L345 HydrophobicContact CB-CG 4.2Å; D343-L345 PolarHBondContact O-N 2.91Å; D343-L345 VanDerWaalsContact O-N 3.16Å; D343-L375 WeakPolarHBondContact O-CB 3.49Å; D343-L375 PolarHBondContact O-N 3.21Å
344S89Confident92.9Very high31 Ų3133.9 Ų33.922%0.21722%0.218CC..  trans58.415.7-173.3-77.70000116.3T341 G342T341-S344 PolarHBondContact O-N 3.48Å; G342-S344 PolarHBondContact O-N 3.05Å
345L94.7Very high93.2Very high45 Ų4532 Ų3224%0.23620%0.199CC..  trans-67.8138.1176-58.8166.9000110.4H316 R340 T341 D343 H349 A374 I383H316-L345 PolarHBondContact NE2-O 2.66Å; R340-L345 CarbonylContact C-O 3.46Å; R340-L345 VanDerWaalsContact CA-O 3.26Å; R340-L345 WeakPolarHBondContact CA-O 3.23Å; T341-L345 HydrophobicContact CG2-CB 4.14Å; T341-L345 PolarHBondContact N-O 3.27Å; T341-L345 WeakPolarHBondContact OG1-CB 3.09Å; T341-L345 PolarHBondContact OG1-N 3.46Å; D343-L345 HydrophobicContact CB-CD1 4.31Å; D343-L345 HydrophobicContact CB-CG 4.2Å; D343-L345 PolarHBondContact O-N 2.91Å; D343-L345 VanDerWaalsContact O-N 3.16Å; L345-H349 HydrophobicContact CB-CB 4.13Å; L345-H349 HydrophobicContact CD2-CB 3.8Å; L345-A374 HydrophobicContact CD2-CB 3.75Å; L345-I383 HydrophobicContact CD2-CD1 4.16Å
346T96.3Very high93.3Very high4 Ų432.1 Ų32.13%0.02520%0.199CC..  trans-96.7168.4170.167.70000110.8D339 R340 L348 H349 V350 A372D339-T346 WeakPolarHBondContact O-CA 3.48Å; R340-T346 HydrophobicContact CG-CG2 4.11Å; T346-L348 PolarHBondContact O-N 3.13Å; T346-L348 VanDerWaalsContact O-N 3.11Å; T346-H349 PolarHBondContact N-ND1 3.31Å; T346-H349 WeakPolarHBondContact O-CB 3.46Å; T346-H349 PolarHBondContact O-N 2.69Å; T346-H349 PolarHBondContact OG1-ND1 2.89Å; T346-V350 PolarHBondContact O-N 3.46Å; T346-A372 HydrophobicContact CG2-CB 4.06Å
347P96Very high93.3Very high0 Ų030.8 Ų30.80%019%0.188CC..Hα-helixtrans-55.7-30.3174.1-26.335.3000113.3L315 H316 A319 D339 V350 A351 L363L315-P347 HydrophobicContact CB-CG 4.47Å; L315-P347 HydrophobicContact CD2-CG 4.07Å; L315-P347 HydrophobicContact CG-CB 4.19Å; L315-P347 HydrophobicContact CG-CG 4Å; H316-P347 WeakPolarHBondContact NE2-CD 3.42Å; A319-P347 HydrophobicContact CB-CB 4.19Å; A319-P347 WeakPolarHBondContact CB-O 3.28Å; D339-P347 WeakPolarHBondContact O-CD 3.5Å; P347-V350 PolarHBondContact O-N 3.31Å; P347-A351 PolarHBondContact O-N 2.85Å; P347-L363 HydrophobicContact CB-CD1 3.72Å; P347-L363 HydrophobicContact CB-CD2 3.82Å; P347-L363 HydrophobicContact CB-CG 4.45Å; P347-L363 HydrophobicContact CG-CD2 4.5Å
348L97.1Very high93.3Very high0 Ų032.9 Ų32.90%020%0.197CC..Hα-helixtrans-70.6-33.6177.2-177.462.4000112.5T346 V350 A351 A352 A360 L363 L364 C368 P380 L396T346-L348 PolarHBondContact O-N 3.13Å; T346-L348 VanDerWaalsContact O-N 3.11Å; L348-V350 VanDerWaalsContact C-N 3.31Å; L348-A351 PolarHBondContact O-N 3.5Å; L348-A352 VanDerWaalsContact O-CB 3.26Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.5Å; L348-A360 HydrophobicContact CD1-CB 3.86Å; L348-L363 HydrophobicContact CB-CD1 4.33Å; L348-L364 HydrophobicContact CD1-CD1 4.45Å; L348-L364 HydrophobicContact CD1-CD2 4.47Å; L348-L364 HydrophobicContact CD1-CG 4.15Å; L348-L364 HydrophobicContact CD2-CD2 3.69Å; L348-L364 HydrophobicContact CD2-CG 4.24Å; L348-C368 VanDerWaalsContact CB-SG 3.59Å; L348-C368 HydrophobicContact CD2-CB 4.44Å; L348-P380 HydrophobicContact CB-CG 4.44Å; L348-P380 HydrophobicContact CD2-CB 4.34Å; L348-P380 HydrophobicContact CD2-CG 3.94Å; L348-P380 HydrophobicContact CG-CB 4.05Å; L348-P380 HydrophobicContact CG-CG 3.88Å; L348-L396 HydrophobicContact CD1-CD2 4.3Å; L348-L396 HydrophobicContact CD2-CD2 4.17Å; L348-L396 HydrophobicContact CG-CD2 4.44Å
349H97Very high93.5Very high1 Ų129.9 Ų29.91%0.00517%0.172CC..Hα-helixtrans-63.7-39.1170.6-70.181.1000111.4L345 T346 A352 H353 A372 A374 F378 I383L345-H349 HydrophobicContact CB-CB 4.13Å; L345-H349 HydrophobicContact CD2-CB 3.8Å; T346-H349 PolarHBondContact N-ND1 3.31Å; T346-H349 WeakPolarHBondContact O-CB 3.46Å; T346-H349 PolarHBondContact O-N 2.69Å; T346-H349 PolarHBondContact OG1-ND1 2.89Å; H349-A352 PolarHBondContact O-N 3.28Å; H349-H353 WeakPolarHBondContact O-CB 3.22Å; H349-H353 PolarHBondContact O-N 3.24Å; H349-A372 PolarHBondContact CE1-O 3.29Å; H349-A372 PolarHBondContact NE2-O 3.13Å; H349-A374 PolarHBondContact NE2-N 3.06Å; H349-F378 PolarHBondContact NE2-O 3.4Å; H349-I383 HydrophobicContact CB-CD1 4.12Å
350V95.3Very high93.7Very high14 Ų1428.5 Ų28.59%0.08516%0.164CC..Hα-helixtrans-68.1-43.5176.9177.70000111.2A319 Q320 T346 P347 L348 A352 H353 C354A319-V350 HydrophobicContact CB-CB 4.36Å; A319-V350 HydrophobicContact CB-CG1 4.28Å; Q320-V350 HydrophobicContact CB-CG1 3.71Å; Q320-V350 HydrophobicContact CG-CG1 4.44Å; T346-V350 PolarHBondContact O-N 3.46Å; P347-V350 PolarHBondContact O-N 3.31Å; L348-V350 VanDerWaalsContact C-N 3.31Å; V350-A352 PolarHBondContact O-N 3.25Å; V350-H353 WeakPolarHBondContact O-CB 3.39Å; V350-H353 PolarHBondContact O-N 3.39Å; V350-C354 PolarHBondContact O-N 2.94Å; V350-C354 VanDerWaalsContact O-N 3.14Å; V350-C354 PolarHBondContact O-SG 3.35Å
351A96.2Very high93.9Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-61.3-43.8174.700000111.7A319 P347 L348 H353 C354 G355 N356 A360 L363A319-A351 HydrophobicContact CB-CB 4.49Å; P347-A351 PolarHBondContact O-N 2.85Å; L348-A351 PolarHBondContact O-N 3.5Å; A351-H353 PolarHBondContact O-N 3.01Å; A351-C354 PolarHBondContact O-N 3.24Å; A351-G355 PolarHBondContact O-N 2.86Å; A351-N356 HydrophobicContact CB-CB 4.36Å; A351-N356 PolarHBondContact O-N 3.41Å; A351-A360 HydrophobicContact CB-CB 3.94Å; A351-L363 HydrophobicContact CB-CD1 4.35Å
352A96.1Very high94.1Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-67-31.5175.800000114L348 H349 V350 P380 A384 V392L348-A352 VanDerWaalsContact O-CB 3.26Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.5Å; H349-A352 PolarHBondContact O-N 3.28Å; V350-A352 PolarHBondContact O-N 3.25Å; A352-P380 HydrophobicContact CB-CB 4.06Å; A352-A384 HydrophobicContact CB-CB 4.36Å; A352-V392 HydrophobicContact CB-CG1 4.08Å
353H95.4Very high94.6Very high82 Ų8223.1 Ų23.138%0.3812%0.124SC..Hα-helixtrans-64.4-42.5172.6179.1-76.3000111.9H349 V350 A351 I383 K387H349-H353 WeakPolarHBondContact O-CB 3.22Å; H349-H353 PolarHBondContact O-N 3.24Å; V350-H353 WeakPolarHBondContact O-CB 3.39Å; V350-H353 PolarHBondContact O-N 3.39Å; A351-H353 PolarHBondContact O-N 3.01Å; H353-I383 HydrophobicContact CB-CG2 3.88Å; H353-K387 WeakPolarHBondContact CD2-CE 3.48Å; H353-K387 WeakPolarHBondContact NE2-CE 3.31Å; H353-K387 PolarHBondContact NE2-NZ 2.91Å
354C91.7Very high95Very high26 Ų2619.4 Ų19.418%0.17610%0.103CC..Hα-helixtrans-82.3-38-175.4-55.60000112.3V350 A351 N356 K389V350-C354 PolarHBondContact O-N 2.94Å; V350-C354 VanDerWaalsContact O-N 3.14Å; V350-C354 PolarHBondContact O-SG 3.35Å; A351-C354 PolarHBondContact O-N 3.24Å; C354-N356 HydrophobicContact CB-CB 4.44Å; C354-N356 VanDerWaalsContact CB-OD1 3.22Å; C354-N356 WeakPolarHBondContact CB-OD1 3.24Å; C354-K389 WeakPolarHBondContact O-CE 3.26Å; C354-K389 PolarHBondContact O-NZ 2.76Å
355G92.1Very high95.3Very high20 Ų2022.1 Ų22.121%0.20612%0.116CC..THydrogen-bonded Turntrans106.812.2-170.500000113.9A351 T357A351-G355 PolarHBondContact O-N 2.86Å; G355-T357 VanDerWaalsContact C-N 3.31Å; G355-T357 PolarHBondContact O-N 2.89Å; G355-T357 PolarHBondContact O-OG1 3.03Å
356N94.5Very high95.3Very high10 Ų1023.9 Ų23.95%0.05313%0.125CC..  trans-79.279-163.8-67.610.4000110A319 Q320 N322 A351 C354 E358 V359 A360A319-N356 PolarHBondContact O-ND2 3.15Å; Q320-N356 PolarHBondContact O-ND2 3.38Å; N322-N356 HydrophobicContact CB-CB 4.1Å; N322-N356 PolarHBondContact N-ND2 2.92Å; N322-N356 WeakPolarHBondContact OD1-CB 3.47Å; A351-N356 HydrophobicContact CB-CB 4.36Å; A351-N356 PolarHBondContact O-N 3.41Å; C354-N356 HydrophobicContact CB-CB 4.44Å; C354-N356 VanDerWaalsContact CB-OD1 3.22Å; C354-N356 WeakPolarHBondContact CB-OD1 3.24Å; N356-E358 PolarHBondContact O-N 3.46Å; N356-V359 PolarHBondContact O-N 3.09Å; N356-A360 WeakPolarHBondContact O-CB 3.01Å; N356-A360 PolarHBondContact O-N 2.98Å
357T93.5Very high95.1Very high25 Ų2526.6 Ų26.615%0.15315%0.154CC..Hα-helixtrans-65.2-40.3-161.6-56.80000112.3G355 A360 R361 R391 L395G355-T357 VanDerWaalsContact C-N 3.31Å; G355-T357 PolarHBondContact O-N 2.89Å; G355-T357 PolarHBondContact O-OG1 3.03Å; T357-A360 WeakPolarHBondContact O-CB 3.24Å; T357-A360 PolarHBondContact O-N 2.92Å; T357-R361 PolarHBondContact O-N 3Å; T357-R391 HydrophobicContact CG2-CB 4.24Å; T357-L395 HydrophobicContact CG2-CD2 4.09Å; T357-L395 VanDerWaalsContact O-CD2 3.31Å; T357-L395 WeakPolarHBondContact O-CD2 3.42Å
358E93.9Very high95Very high62 Ų6227 Ų2729%0.2916%0.156SC..Hα-helixtrans-77.5-34.9-179.1-61.3-49.312500112.7E324 N356 A360 R361 I362E324-E358 VanDerWaalsContact CD-CB 3.4Å; E324-E358 HydrophobicContact CG-CB 3.84Å; E324-E358 WeakPolarHBondContact OE1-CB 3.48Å; N356-E358 PolarHBondContact O-N 3.46Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-R361 WeakPolarHBondContact O-CB 3.41Å; E358-R361 PolarHBondContact O-N 3.31Å; E358-R361 IonicContact OE1-CZ 3.57Å; E358-R361 IonicContact OE1-NE 3.66Å; E358-R361 IonicContact OE1-NH2 2.75Å; E358-R361 PolarHBondContact OE1-NH2 3.4Å; E358-R361 IonicContact OE2-CZ 3.5Å; E358-R361 IonicContact OE2-NE 3.06Å; E358-R361 PolarHBondContact OE2-NE 3.46Å; E358-R361 IonicContact OE2-NH2 3.67Å; E358-R361 PolarHBondContact OE2-NH2 3.12Å; E358-I362 WeakPolarHBondContact O-CD1 3.23Å; E358-I362 VanDerWaalsContact O-CG1 3.22Å; E358-I362 WeakPolarHBondContact O-CG1 3.36Å; E358-I362 PolarHBondContact O-N 3.27Å
359V95.3Very high94.8Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-68.8-34.9169.8-175.40000111.5A319 E324 A327 N356 R361 I362 L363A319-V359 HydrophobicContact CB-CG1 4.11Å; E324-V359 HydrophobicContact CG-CG2 4.12Å; A327-V359 HydrophobicContact CB-CG1 4Å; N356-V359 PolarHBondContact O-N 3.09Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.31Å; V359-I362 PolarHBondContact O-N 3.4Å; V359-L363 HydrophobicContact CG1-CD1 4.06Å; V359-L363 HydrophobicContact CG1-CG 4.34Å; V359-L363 WeakPolarHBondContact O-CB 3.22Å; V359-L363 WeakPolarHBondContact O-CD1 3.34Å; V359-L363 VanDerWaalsContact O-CG 3.23Å; V359-L363 WeakPolarHBondContact O-CG 3.1Å; V359-L363 PolarHBondContact O-N 3.25Å
360A96.1Very high94.8Very high0 Ų031.8 Ų31.80%018%0.183CC..Hα-helixtrans-59.7-43.7170.200000111.5L348 A351 N356 T357 E358 L363 L364 V392 L395L348-A360 HydrophobicContact CD1-CB 3.86Å; A351-A360 HydrophobicContact CB-CB 3.94Å; N356-A360 WeakPolarHBondContact O-CB 3.01Å; N356-A360 PolarHBondContact O-N 2.98Å; T357-A360 WeakPolarHBondContact O-CB 3.24Å; T357-A360 PolarHBondContact O-N 2.92Å; E358-A360 VanDerWaalsContact C-N 3.35Å; A360-L363 PolarHBondContact O-N 3.15Å; A360-L364 VanDerWaalsContact O-CG 3.29Å; A360-L364 WeakPolarHBondContact O-CG 3.36Å; A360-L364 PolarHBondContact O-N 2.88Å; A360-V392 HydrophobicContact CB-CG1 4.37Å; A360-L395 HydrophobicContact CB-CD2 3.78Å
361R96.4Very high94.8Very high74 Ų7432.2 Ų32.228%0.27918%0.184SC..Hα-helixtrans-60.4-48.9174.9-168.1-165.9-49.8-70.1-5.3111.5T357 E358 V359 L363 L364 D365 L395T357-R361 PolarHBondContact O-N 3Å; E358-R361 WeakPolarHBondContact O-CB 3.41Å; E358-R361 PolarHBondContact O-N 3.31Å; E358-R361 IonicContact OE1-CZ 3.57Å; E358-R361 IonicContact OE1-NE 3.66Å; E358-R361 IonicContact OE1-NH2 2.75Å; E358-R361 PolarHBondContact OE1-NH2 3.4Å; E358-R361 IonicContact OE2-CZ 3.5Å; E358-R361 IonicContact OE2-NE 3.06Å; E358-R361 PolarHBondContact OE2-NE 3.46Å; E358-R361 IonicContact OE2-NH2 3.67Å; E358-R361 PolarHBondContact OE2-NH2 3.12Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.31Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 2.91Å; R361-L364 PolarHBondContact O-N 3.18Å; R361-L364 VanDerWaalsContact O-N 3.16Å; R361-D365 WeakPolarHBondContact O-CB 3.3Å; R361-D365 VanDerWaalsContact O-CG 3.24Å; R361-D365 PolarHBondContact O-N 3.49Å; R361-L395 HydrophobicContact CB-CD1 4.34Å; R361-L395 HydrophobicContact CB-CD2 4.1Å; R361-L395 HydrophobicContact CG-CD1 4.32Å
362I95.8Very high94.7Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-57.6-40.2177.6-68.7162000111.5E324 A327 R328 I331 E358 V359 N366E324-I362 HydrophobicContact CB-CD1 3.65Å; E324-I362 HydrophobicContact CG-CD1 3.79Å; A327-I362 HydrophobicContact CB-CG2 4.34Å; R328-I362 HydrophobicContact CG-CD1 4.15Å; R328-I362 HydrophobicContact CG-CG1 4.49Å; R328-I362 HydrophobicContact CG-CG2 4.14Å; I331-I362 HydrophobicContact CD1-CG2 4Å; E358-I362 WeakPolarHBondContact O-CD1 3.23Å; E358-I362 VanDerWaalsContact O-CG1 3.22Å; E358-I362 WeakPolarHBondContact O-CG1 3.36Å; E358-I362 PolarHBondContact O-N 3.27Å; V359-I362 PolarHBondContact O-N 3.4Å; I362-N366 WeakPolarHBondContact O-CB 3.42Å; I362-N366 PolarHBondContact O-N 3.04Å; I362-N366 PolarHBondContact O-ND2 3.02Å
363L96.5Very high94.6Very high0 Ų035.7 Ų35.70%020%0.198CC..Hα-helixtrans-67.9-43.2177.5-71.3165.2000111.9L315 A319 I331 V337 P347 L348 A351 V359 A360 R361 N366 G367 C368L315-L363 HydrophobicContact CD1-CD2 4.33Å; L315-L363 HydrophobicContact CD2-CD2 4.07Å; L315-L363 HydrophobicContact CG-CD2 4.28Å; A319-L363 HydrophobicContact CB-CD1 4.47Å; I331-L363 HydrophobicContact CD1-CD2 4.32Å; V337-L363 HydrophobicContact CB-CD2 4.3Å; V337-L363 HydrophobicContact CG1-CD2 4.03Å; P347-L363 HydrophobicContact CB-CD1 3.72Å; P347-L363 HydrophobicContact CB-CD2 3.82Å; P347-L363 HydrophobicContact CB-CG 4.45Å; P347-L363 HydrophobicContact CG-CD2 4.5Å; L348-L363 HydrophobicContact CB-CD1 4.33Å; A351-L363 HydrophobicContact CB-CD1 4.35Å; V359-L363 HydrophobicContact CG1-CD1 4.06Å; V359-L363 HydrophobicContact CG1-CG 4.34Å; V359-L363 WeakPolarHBondContact O-CB 3.22Å; V359-L363 WeakPolarHBondContact O-CD1 3.34Å; V359-L363 VanDerWaalsContact O-CG 3.23Å; V359-L363 WeakPolarHBondContact O-CG 3.1Å; V359-L363 PolarHBondContact O-N 3.25Å; A360-L363 PolarHBondContact O-N 3.15Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 2.91Å; L363-N366 CarbonylContact O-C 3.57Å; L363-N366 PolarHBondContact O-N 2.86Å; L363-G367 PolarHBondContact O-N 2.85Å; L363-C368 HydrophobicContact CB-CB 4.01Å; L363-C368 WeakPolarHBondContact O-CB 3.29Å; L363-C368 PolarHBondContact O-N 3.02Å
364L96Very high94.5Very high13 Ų1332.4 Ų32.47%0.06819%0.185CC..Hα-helixtrans-65.7-45.4176.9-69.6164.5000112L348 A360 R361 N366 G367 V370 L395 L396 Y399L348-L364 HydrophobicContact CD1-CD1 4.45Å; L348-L364 HydrophobicContact CD1-CD2 4.47Å; L348-L364 HydrophobicContact CD1-CG 4.15Å; L348-L364 HydrophobicContact CD2-CD2 3.69Å; L348-L364 HydrophobicContact CD2-CG 4.24Å; A360-L364 VanDerWaalsContact O-CG 3.29Å; A360-L364 WeakPolarHBondContact O-CG 3.36Å; A360-L364 PolarHBondContact O-N 2.88Å; R361-L364 PolarHBondContact O-N 3.18Å; R361-L364 VanDerWaalsContact O-N 3.16Å; L364-N366 PolarHBondContact O-N 3.48Å; L364-G367 PolarHBondContact O-N 3.42Å; L364-V370 HydrophobicContact CD2-CB 3.76Å; L364-V370 HydrophobicContact CD2-CG2 3.82Å; L364-L395 HydrophobicContact CD1-CD2 4.09Å; L364-L395 HydrophobicContact CD1-CG 3.96Å; L364-L396 HydrophobicContact CD1-CD2 4.33Å; L364-Y399 HydrophobicContact CB-CD1 3.59Å; L364-Y399 HydrophobicContact CB-CE1 3.59Å; L364-Y399 HydrophobicContact CB-CG 4.15Å; L364-Y399 HydrophobicContact CD1-CD1 4.32Å; L364-Y399 HydrophobicContact CD1-CD2 4.07Å; L364-Y399 HydrophobicContact CD1-CE2 4.41Å; L364-Y399 HydrophobicContact CD1-CG 4Å; L364-Y399 HydrophobicContact CD2-CD1 4.44Å; L364-Y399 HydrophobicContact CD2-CG 4.46Å; L364-Y399 HydrophobicContact CG-CD1 4.33Å; L364-Y399 HydrophobicContact CG-CG 4.44Å
365D95.1Very high94.3Very high89 Ų8936.8 Ų36.848%0.47621%0.206SC..Hα-helixtrans-58.7-28.1175.5-72.1-17.6000112.8R361 Y399R361-D365 WeakPolarHBondContact O-CB 3.3Å; R361-D365 VanDerWaalsContact O-CG 3.24Å; R361-D365 PolarHBondContact O-N 3.49Å; D365-Y399 PolarHBondContact OD1-OH 3.34Å
366N94.6Very high94Very high82 Ų8240.7 Ų40.744%0.43922%0.222SC..THydrogen-bonded Turntrans-96.416176.3-72.6-91.7000113.2I331 V337 I362 L363 L364I331-N366 HydrophobicContact CD1-CB 4.31Å; I331-N366 HydrophobicContact CG2-CB 4.12Å; V337-N366 HydrophobicContact CG1-CB 4.06Å; I362-N366 WeakPolarHBondContact O-CB 3.42Å; I362-N366 PolarHBondContact O-N 3.04Å; I362-N366 PolarHBondContact O-ND2 3.02Å; L363-N366 CarbonylContact O-C 3.57Å; L363-N366 PolarHBondContact O-N 2.86Å; L364-N366 PolarHBondContact O-N 3.48Å
367G92.1Very high93.8Very high60 Ų6040.2 Ų40.262%0.61922%0.22SC*.THydrogen-bonded Turntrans79.626.5171.100000115.3L363 L364L363-G367 PolarHBondContact O-N 2.85Å; L364-G367 PolarHBondContact O-N 3.42Å
368C94Very high93.8Very high8 Ų841.2 Ų41.25%0.05422%0.222CC..  trans-64.5133.5166.1-165.30000109.8V337 L348 L363 V370V337-C368 HydrophobicContact CB-CB 4.03Å; V337-C368 HydrophobicContact CG2-CB 4.21Å; V337-C368 PolarHBondContact O-SG 3.09Å; L348-C368 VanDerWaalsContact CB-SG 3.59Å; L348-C368 HydrophobicContact CD2-CB 4.44Å; L363-C368 HydrophobicContact CB-CB 4.01Å; L363-C368 WeakPolarHBondContact O-CB 3.29Å; L363-C368 PolarHBondContact O-N 3.02Å; C368-V370 PolarHBondContact O-N 3.44Å
369D94.2Very high94Very high86 Ų8638.3 Ų38.346%0.4621%0.208SC..  trans-65.8108.3178.717418.6000111.1N371 A372D369-N371 PolarHBondContact O-N 2.99Å; D369-N371 WeakPolarHBondContact OD1-CA 3.18Å; D369-N371 WeakPolarHBondContact OD1-CB 3.15Å; D369-N371 PolarHBondContact OD1-N 3.34Å; D369-A372 HydrophobicContact CB-CB 4.07Å; D369-A372 VanDerWaalsContact CG-N 3.28Å; D369-A372 VanDerWaalsContact O-CB 3.26Å; D369-A372 WeakPolarHBondContact O-CB 3.44Å; D369-A372 PolarHBondContact O-N 2.9Å; D369-A372 VanDerWaalsContact O-N 3.12Å; D369-A372 PolarHBondContact OD1-N 3.3Å; D369-A372 VanDerWaalsContact OD2-CA 3.28Å; D369-A372 WeakPolarHBondContact OD2-CA 3.48Å; D369-A372 PolarHBondContact OD2-N 2.86Å
370V95.5Very high94Very high16 Ų1638.3 Ų38.310%0.09721%0.208CC..THydrogen-bonded Turntrans-57.4-25.4176.472.30000112.9L364 C368 L396 Y399 A401L364-V370 HydrophobicContact CD2-CB 3.76Å; L364-V370 HydrophobicContact CD2-CG2 3.82Å; C368-V370 PolarHBondContact O-N 3.44Å; V370-L396 HydrophobicContact CG2-CB 4.43Å; V370-L396 HydrophobicContact CG2-CD2 3.66Å; V370-Y399 WeakPolarHBondContact CG1-O 3.38Å; V370-A401 HydrophobicContact CG2-CB 3.8Å
371N95.2Very high94.1Very high23 Ų2338.3 Ų38.312%0.12321%0.208CC..THydrogen-bonded Turntrans-106.310.5-177.3-65.4-55.4000113D369 R373 Q402 M405D369-N371 PolarHBondContact O-N 2.99Å; D369-N371 WeakPolarHBondContact OD1-CA 3.18Å; D369-N371 WeakPolarHBondContact OD1-CB 3.15Å; D369-N371 PolarHBondContact OD1-N 3.34Å; N371-R373 PolarHBondContact O-N 2.84Å; N371-Q402 WeakPolarHBondContact OD1-CB 3.3Å; N371-Q402 PolarHBondContact OD1-N 2.88Å; N371-M405 HydrophobicContact CB-CE 3.95Å
372A94.2Very high94.1Very high3 Ų334.8 Ų34.83%0.02520%0.195CC..  trans-53.4138.4179.600000110.9T346 H349 D369 T379 P380T346-A372 HydrophobicContact CG2-CB 4.06Å; H349-A372 PolarHBondContact CE1-O 3.29Å; H349-A372 PolarHBondContact NE2-O 3.13Å; D369-A372 HydrophobicContact CB-CB 4.07Å; D369-A372 VanDerWaalsContact CG-N 3.28Å; D369-A372 VanDerWaalsContact O-CB 3.26Å; D369-A372 WeakPolarHBondContact O-CB 3.44Å; D369-A372 PolarHBondContact O-N 2.9Å; D369-A372 VanDerWaalsContact O-N 3.12Å; D369-A372 PolarHBondContact OD1-N 3.3Å; D369-A372 VanDerWaalsContact OD2-CA 3.28Å; D369-A372 WeakPolarHBondContact OD2-CA 3.48Å; D369-A372 PolarHBondContact OD2-N 2.86Å; A372-T379 WeakPolarHBondContact O-CA 3.34Å; A372-P380 WeakPolarHBondContact O-CD 3.08Å
373R94.7Very high94.1Very high71 Ų7135.7 Ų35.727%0.26820%0.2SC..  trans-100.6127.5178.4-61.7174.376.280.5-9.2111.1N371 G377 F378 T379 M405 T406 E408N371-R373 PolarHBondContact O-N 2.84Å; R373-G377 PolarHBondContact NH1-O 3.41Å; R373-F378 WeakPolarHBondContact CA-O 3.43Å; R373-T379 HydrophobicContact CG-CG2 4.48Å; R373-M405 HydrophobicContact CG-SD 4.2Å; R373-M405 PolarHBondContact NH1-SD 2.96Å; R373-M405 VanDerWaalsContact NH1-SD 3.35Å; R373-T406 VanDerWaalsContact CZ-O 3.26Å; R373-T406 PolarHBondContact NH1-O 3.09Å; R373-T406 PolarHBondContact NH2-O 2.95Å; R373-E408 IonicContact CZ-OE1 2.69Å; R373-E408 IonicContact NE-OE1 2.69Å; R373-E408 IonicContact NH2-OE1 2.73Å; R373-E408 PolarHBondContact NH2-OE1 2.92Å; R373-E408 IonicContact NH2-OE2 3.3Å
374A92.6Very high94.1Very high12 Ų1235.7 Ų35.710%0.09920%0.2CC..  trans-69.6174.9159.100000111L345 H349 N376 G377 F378L345-A374 HydrophobicContact CD2-CB 3.75Å; H349-A374 PolarHBondContact NE2-N 3.06Å; A374-N376 VanDerWaalsContact C-N 3.34Å; A374-N376 PolarHBondContact O-N 3.42Å; A374-G377 PolarHBondContact O-N 3.33Å; A374-F378 HydrophobicContact CB-CB 4.4Å; A374-F378 PolarHBondContact N-O 3.45Å
375L88.5Confident94Very high118 Ų11835.1 Ų35.162%0.61820%0.197SC*.THydrogen-bonded Turntrans-50.2-47.5-174.8-175.263.4000113.7D343 G377D343-L375 WeakPolarHBondContact O-CB 3.49Å; D343-L375 PolarHBondContact O-N 3.21Å; L375-G377 PolarHBondContact O-N 3.27Å
376N85.4Confident94Very high103 Ų10334.6 Ų34.655%0.55119%0.19SC*.THydrogen-bonded Turntrans-87.523.1-178.1-55.342000112.9A374 F378 T407A374-N376 VanDerWaalsContact C-N 3.34Å; A374-N376 PolarHBondContact O-N 3.42Å; N376-F378 HydrophobicContact CB-CD2 4.08Å; N376-F378 HydrophobicContact CB-CE2 4.47Å; N376-F378 PolarHBondContact O-N 2.89Å; N376-T407 WeakPolarHBondContact O-CB 3.46Å
377G89.9Confident94Very high0 Ų032.8 Ų32.80%018%0.179CC..SBendtrans74.10.917900000116R373 A374 L375 E408R373-G377 PolarHBondContact NH1-O 3.41Å; A374-G377 PolarHBondContact O-N 3.33Å; L375-G377 PolarHBondContact O-N 3.27Å; G377-E408 WeakPolarHBondContact CA-OE1 3.44Å; G377-E408 PolarHBondContact N-OE1 2.62Å
378F94.5Very high94.1Very high45 Ų4534.2 Ų34.220%0.19717%0.169CC..  trans-62.8135174.8-84.3-106.3000110.7H349 R373 A374 N376 H382 I383 K386 T407H349-F378 PolarHBondContact NE2-O 3.4Å; R373-F378 WeakPolarHBondContact CA-O 3.43Å; A374-F378 HydrophobicContact CB-CB 4.4Å; A374-F378 PolarHBondContact N-O 3.45Å; N376-F378 HydrophobicContact CB-CD2 4.08Å; N376-F378 HydrophobicContact CB-CE2 4.47Å; N376-F378 PolarHBondContact O-N 2.89Å; F378-H382 HydrophobicContact CB-CB 4.41Å; F378-H382 HydrophobicContact CD1-CB 3.56Å; F378-H382 HydrophobicContact CE1-CB 4.18Å; F378-H382 HydrophobicContact CG-CB 4.28Å; F378-I383 HydrophobicContact CB-CG1 4.46Å; F378-I383 HydrophobicContact CD1-CG1 4.32Å; F378-K386 HydrophobicContact CE1-CD 4.46Å; F378-T407 HydrophobicContact CD1-CG2 4.48Å; F378-T407 HydrophobicContact CD2-CG2 3.6Å; F378-T407 HydrophobicContact CE1-CG2 4.41Å; F378-T407 HydrophobicContact CE2-CG2 3.53Å; F378-T407 HydrophobicContact CG-CG2 4.09Å; F378-T407 HydrophobicContact CZ-CG2 3.95Å
379T96.6Very high94.1Very high1 Ų135.8 Ų35.81%0.00618%0.175CC..  trans-100.2167.9169.669.70000111.2A372 R373 L381 H382 I383 M405A372-T379 WeakPolarHBondContact O-CA 3.34Å; R373-T379 HydrophobicContact CG-CG2 4.48Å; T379-L381 PolarHBondContact O-N 2.94Å; T379-L381 VanDerWaalsContact O-N 3.15Å; T379-L381 PolarHBondContact OG1-N 3.18Å; T379-H382 PolarHBondContact N-ND1 2.73Å; T379-H382 WeakPolarHBondContact O-CB 3.32Å; T379-H382 PolarHBondContact O-N 2.74Å; T379-H382 PolarHBondContact OG1-N 3.4Å; T379-H382 PolarHBondContact OG1-ND1 3.08Å; T379-I383 PolarHBondContact O-N 2.92Å; T379-I383 VanDerWaalsContact O-N 3.09Å; T379-M405 HydrophobicContact CG2-CG 4.35Å; T379-M405 HydrophobicContact CG2-SD 3.46Å; T379-M405 WeakPolarHBondContact CG2-SD 3.27Å
380P96.5Very high94.1Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-51.6-35.7171.5-28.736.4000113.2L348 A352 A372 I383 A384 L396L348-P380 HydrophobicContact CB-CG 4.44Å; L348-P380 HydrophobicContact CD2-CB 4.34Å; L348-P380 HydrophobicContact CD2-CG 3.94Å; L348-P380 HydrophobicContact CG-CB 4.05Å; L348-P380 HydrophobicContact CG-CG 3.88Å; A352-P380 HydrophobicContact CB-CB 4.06Å; A372-P380 WeakPolarHBondContact O-CD 3.08Å; P380-I383 PolarHBondContact O-N 3.43Å; P380-A384 WeakPolarHBondContact O-CB 3.2Å; P380-A384 PolarHBondContact O-N 2.98Å; P380-L396 HydrophobicContact CB-CD1 3.88Å; P380-L396 HydrophobicContact CB-CD2 3.99Å
381L97.2Very high94.1Very high0 Ų042.6 Ų42.60%020%0.196CC..Hα-helixtrans-67.1-41.1177.4-177.661.4000112.2T379 I383 A384 C385 I393 L396 L397 A401 P413T379-L381 PolarHBondContact O-N 2.94Å; T379-L381 VanDerWaalsContact O-N 3.15Å; T379-L381 PolarHBondContact OG1-N 3.18Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.02Å; L381-A384 PolarHBondContact O-N 3.19Å; L381-C385 WeakPolarHBondContact O-CB 3.22Å; L381-C385 PolarHBondContact O-N 2.67Å; L381-C385 PolarHBondContact O-SG 3.01Å; L381-I393 HydrophobicContact CD1-CB 4.49Å; L381-I393 HydrophobicContact CD1-CG2 3.88Å; L381-L396 HydrophobicContact CB-CD1 4.25Å; L381-L396 HydrophobicContact CD1-CB 4.4Å; L381-L397 HydrophobicContact CD1-CG 4.45Å; L381-L397 HydrophobicContact CD2-CD2 4.21Å; L381-A401 HydrophobicContact CB-CB 4.42Å; L381-A401 HydrophobicContact CD2-CB 3.94Å; L381-P413 HydrophobicContact CD2-CB 4.17Å; L381-P413 HydrophobicContact CD2-CG 3.76Å; L381-P413 HydrophobicContact CG-CB 4.06Å; L381-P413 HydrophobicContact CG-CG 3.91Å
382H96.6Very high94.1Very high0 Ų041.5 Ų41.50%019%0.191CC..Hα-helixtrans-62.1-41.6173.6-69.984.5000111.7F378 T379 K386 M405 L411 P413F378-H382 HydrophobicContact CB-CB 4.41Å; F378-H382 HydrophobicContact CD1-CB 3.56Å; F378-H382 HydrophobicContact CE1-CB 4.18Å; F378-H382 HydrophobicContact CG-CB 4.28Å; T379-H382 PolarHBondContact N-ND1 2.73Å; T379-H382 WeakPolarHBondContact O-CB 3.32Å; T379-H382 PolarHBondContact O-N 2.74Å; T379-H382 PolarHBondContact OG1-N 3.4Å; T379-H382 PolarHBondContact OG1-ND1 3.08Å; H382-K386 WeakPolarHBondContact O-CB 3.43Å; H382-K386 PolarHBondContact O-N 2.91Å; H382-M405 PolarHBondContact CE1-O 3.27Å; H382-M405 PolarHBondContact NE2-O 2.9Å; H382-L411 PolarHBondContact NE2-O 2.97Å; H382-L411 VanDerWaalsContact NE2-O 3.08Å; H382-P413 WeakPolarHBondContact NE2-CD 3.19Å
383I95.6Very high94.2Very high20 Ų2041.4 Ų41.410%0.10319%0.189CC..Hα-helixtrans-66.2-47.2177.2-64.7-173.3000110.5L345 H349 H353 F378 T379 P380 L381 C385 K386 K387L345-I383 HydrophobicContact CD2-CD1 4.16Å; H349-I383 HydrophobicContact CB-CD1 4.12Å; H353-I383 HydrophobicContact CB-CG2 3.88Å; F378-I383 HydrophobicContact CB-CG1 4.46Å; F378-I383 HydrophobicContact CD1-CG1 4.32Å; T379-I383 PolarHBondContact O-N 2.92Å; T379-I383 VanDerWaalsContact O-N 3.09Å; P380-I383 PolarHBondContact O-N 3.43Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.02Å; I383-C385 VanDerWaalsContact C-N 3.29Å; I383-C385 PolarHBondContact O-N 3.5Å; I383-K386 PolarHBondContact O-N 2.85Å; I383-K387 HydrophobicContact CG2-CG 4.09Å; I383-K387 WeakPolarHBondContact O-CB 3.36Å; I383-K387 VanDerWaalsContact O-CG 3.26Å; I383-K387 WeakPolarHBondContact O-CG 3.46Å; I383-K387 PolarHBondContact O-N 3.16Å
384A96.3Very high94.2Very high0 Ų041.8 Ų41.80%019%0.194CC..Hα-helixtrans-59-40.2178.100000111.8A352 P380 L381 K387 Q388 K389 V392 I393 L396A352-A384 HydrophobicContact CB-CB 4.36Å; P380-A384 WeakPolarHBondContact O-CB 3.2Å; P380-A384 PolarHBondContact O-N 2.98Å; L381-A384 PolarHBondContact O-N 3.19Å; A384-K387 CarbonylContact O-C 3.52Å; A384-K387 PolarHBondContact O-N 3.46Å; A384-Q388 PolarHBondContact O-N 2.78Å; A384-K389 PolarHBondContact O-N 3.21Å; A384-V392 HydrophobicContact CB-CB 4.46Å; A384-V392 HydrophobicContact CB-CG1 4.44Å; A384-I393 HydrophobicContact CB-CG1 3.61Å; A384-L396 HydrophobicContact CB-CD1 4.11Å
385C95.7Very high94.4Very high0 Ų041.3 Ų41.30%019%0.19CC..Hα-helixtrans-64.5-49.3172.7-64.50000112.1L381 I383 K387 Q388 V416 I425L381-C385 WeakPolarHBondContact O-CB 3.22Å; L381-C385 PolarHBondContact O-N 2.67Å; L381-C385 PolarHBondContact O-SG 3.01Å; I383-C385 VanDerWaalsContact C-N 3.29Å; I383-C385 PolarHBondContact O-N 3.5Å; C385-K387 PolarHBondContact O-N 3.35Å; C385-Q388 PolarHBondContact O-N 3.25Å; C385-Q388 VanDerWaalsContact O-N 3.14Å; C385-V416 HydrophobicContact CB-CG1 4.29Å; C385-I425 HydrophobicContact CB-CG2 4.44Å
386K94.6Very high94.8Very high78 Ų7835.7 Ų35.734%0.33916%0.161SC..Hα-helixtrans-60.1-30.8178-172.1173.4-176.81780112.8F378 H382 I383 V416 I420F378-K386 HydrophobicContact CE1-CD 4.46Å; H382-K386 WeakPolarHBondContact O-CB 3.43Å; H382-K386 PolarHBondContact O-N 2.91Å; I383-K386 PolarHBondContact O-N 2.85Å; K386-V416 HydrophobicContact CB-CG1 3.8Å; K386-V416 HydrophobicContact CG-CG1 4.48Å; K386-I420 HydrophobicContact CG-CD1 4.39Å
387K94.6Very high95.3Very high45 Ų4531.7 Ų31.720%0.19614%0.139CC..THydrogen-bonded Turntrans-98.56.4-179.1-59.9-62-161.8167.90113.7H353 I383 A384 C385 K389 F1806H353-K387 WeakPolarHBondContact CD2-CE 3.48Å; H353-K387 WeakPolarHBondContact NE2-CE 3.31Å; H353-K387 PolarHBondContact NE2-NZ 2.91Å; I383-K387 HydrophobicContact CG2-CG 4.09Å; I383-K387 WeakPolarHBondContact O-CB 3.36Å; I383-K387 VanDerWaalsContact O-CG 3.26Å; I383-K387 WeakPolarHBondContact O-CG 3.46Å; I383-K387 PolarHBondContact O-N 3.16Å; A384-K387 CarbonylContact O-C 3.52Å; A384-K387 PolarHBondContact O-N 3.46Å; C385-K387 PolarHBondContact O-N 3.35Å; K387-K389 VanDerWaalsContact C-N 3.28Å; K387-K389 HydrophobicContact CB-CG 3.8Å; K387-K389 WeakPolarHBondContact O-CD 3.38Å; K387-K389 VanDerWaalsContact O-CE 3.32Å; K387-K389 WeakPolarHBondContact O-CE 3.49Å; K387-K389 WeakPolarHBondContact O-CG 3.41Å; K387-K389 PolarHBondContact O-N 3.38Å; K387-F1806 HydrophobicContact CD-CE1 3.51Å; K387-F1806 HydrophobicContact CD-CZ 3.73Å; K387-F1806 VanDerWaalsContact NZ-CZ 3.3Å
388Q93.5Very high95.5Very high89 Ų8938 Ų3842%0.41617%0.169SC..THydrogen-bonded Turntrans5038.4-178-54.1-168.11900115.1A384 C385 I390 I420 I425A384-Q388 PolarHBondContact O-N 2.78Å; C385-Q388 PolarHBondContact O-N 3.25Å; C385-Q388 VanDerWaalsContact O-N 3.14Å; Q388-I390 PolarHBondContact O-N 3.03Å; Q388-I390 VanDerWaalsContact O-N 3.12Å; Q388-I420 HydrophobicContact CG-CG2 4.1Å; Q388-I425 HydrophobicContact CB-CD1 3.86Å; Q388-I425 HydrophobicContact CG-CD1 3.98Å
389K94.8Very high95.5Very high41 Ų4139.3 Ų39.318%0.17817%0.173CC..  trans-89.667.4-175-57.5-59.2177.7161.20112C354 A384 K387 R391 V392 I393 H1802C354-K389 WeakPolarHBondContact O-CE 3.26Å; C354-K389 PolarHBondContact O-NZ 2.76Å; A384-K389 PolarHBondContact O-N 3.21Å; K387-K389 VanDerWaalsContact C-N 3.28Å; K387-K389 HydrophobicContact CB-CG 3.8Å; K387-K389 WeakPolarHBondContact O-CD 3.38Å; K387-K389 VanDerWaalsContact O-CE 3.32Å; K387-K389 WeakPolarHBondContact O-CE 3.49Å; K387-K389 WeakPolarHBondContact O-CG 3.41Å; K387-K389 PolarHBondContact O-N 3.38Å; K389-R391 PolarHBondContact O-N 3.08Å; K389-V392 HydrophobicContact CB-CB 4.29Å; K389-V392 HydrophobicContact CB-CG2 4.36Å; K389-V392 WeakPolarHBondContact O-CA 3.35Å; K389-V392 PolarHBondContact O-N 3.44Å; K389-I393 PolarHBondContact O-N 2.78Å; K389-H1802 PolarHBondContact NZ-NE2 3.27Å
390I93.5Very high95.2Very high57 Ų5746 Ų4629%0.29221%0.209SC..Hα-helixtrans-43.8-53-171.7-60.2174.5000113.3Q388 V392 I393 E394 E424 I425 L428Q388-I390 PolarHBondContact O-N 3.03Å; Q388-I390 VanDerWaalsContact O-N 3.12Å; I390-V392 PolarHBondContact O-N 3.1Å; I390-V392 VanDerWaalsContact O-N 3.14Å; I390-I393 CarbonylContact O-C 3.46Å; I390-I393 WeakPolarHBondContact O-CA 3.32Å; I390-I393 WeakPolarHBondContact O-CB 3.4Å; I390-I393 PolarHBondContact O-N 3.07Å; I390-E394 HydrophobicContact CG2-CG 4.25Å; I390-E394 WeakPolarHBondContact O-CG 3.48Å; I390-E394 PolarHBondContact O-N 3.18Å; I390-E424 WeakPolarHBondContact CD1-OE2 3.42Å; I390-I425 HydrophobicContact CG1-CD1 4.38Å; I390-I425 HydrophobicContact CG1-CG1 4.08Å; I390-L428 HydrophobicContact CG2-CD2 4.41Å
391R94.9Very high95.2Very high188 Ų18846.4 Ų46.471%0.70921%0.212SC*.Hα-helixtrans-57.5-30.9179.1-69.7-177.4-178.8162.61.4114.7T357 K389 E394 L395T357-R391 HydrophobicContact CG2-CB 4.24Å; K389-R391 PolarHBondContact O-N 3.08Å; R391-E394 WeakPolarHBondContact CA-OE2 3.22Å; R391-L395 VanDerWaalsContact O-CB 3.29Å; R391-L395 WeakPolarHBondContact O-CB 3.21Å; R391-L395 PolarHBondContact O-N 2.89Å; R391-L395 VanDerWaalsContact O-N 3.1Å
392V95.6Very high95Very high1 Ų151.7 Ų51.71%0.00624%0.237CC..Hα-helixtrans-82.8-29.9174.9-171.60000111.3A352 A360 A384 K389 I390 L395 L396A352-V392 HydrophobicContact CB-CG1 4.08Å; A360-V392 HydrophobicContact CB-CG1 4.37Å; A384-V392 HydrophobicContact CB-CB 4.46Å; A384-V392 HydrophobicContact CB-CG1 4.44Å; K389-V392 HydrophobicContact CB-CB 4.29Å; K389-V392 HydrophobicContact CB-CG2 4.36Å; K389-V392 WeakPolarHBondContact O-CA 3.35Å; K389-V392 PolarHBondContact O-N 3.44Å; I390-V392 PolarHBondContact O-N 3.1Å; I390-V392 VanDerWaalsContact O-N 3.14Å; V392-L395 PolarHBondContact O-N 3.39Å; V392-L396 HydrophobicContact CG1-CD1 3.91Å; V392-L396 HydrophobicContact CG1-CG 4.1Å; V392-L396 VanDerWaalsContact O-CB 3.3Å; V392-L396 WeakPolarHBondContact O-CB 3.49Å; V392-L396 WeakPolarHBondContact O-CD1 3.46Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.39Å
393I96.4Very high94.8Very high0 Ų052.5 Ų52.50%024%0.241CC..Hα-helixtrans-63.1-49.9170.6-59.1171.6000109.5L381 A384 K389 I390 L395 L396 L397 I425 L428L381-I393 HydrophobicContact CD1-CB 4.49Å; L381-I393 HydrophobicContact CD1-CG2 3.88Å; A384-I393 HydrophobicContact CB-CG1 3.61Å; K389-I393 PolarHBondContact O-N 2.78Å; I390-I393 CarbonylContact O-C 3.46Å; I390-I393 WeakPolarHBondContact O-CA 3.32Å; I390-I393 WeakPolarHBondContact O-CB 3.4Å; I390-I393 PolarHBondContact O-N 3.07Å; I393-L395 PolarHBondContact O-N 3.04Å; I393-L396 PolarHBondContact O-N 3.34Å; I393-L397 HydrophobicContact CG2-CD1 3.89Å; I393-L397 WeakPolarHBondContact O-CB 3.46Å; I393-L397 VanDerWaalsContact O-CG 3.25Å; I393-L397 WeakPolarHBondContact O-CG 3.3Å; I393-L397 PolarHBondContact O-N 3.3Å; I393-I425 HydrophobicContact CD1-CB 4.47Å; I393-I425 HydrophobicContact CD1-CD1 3.85Å; I393-I425 HydrophobicContact CD1-CG1 3.93Å; I393-I425 HydrophobicContact CD1-CG2 3.72Å; I393-L428 HydrophobicContact CB-CD2 4.29Å; I393-L428 HydrophobicContact CG2-CD2 3.75Å
394E95.6Very high94.6Very high79 Ų7954.4 Ų54.437%0.36925%0.251SS..Hα-helixtrans-56.1-47.6174.2-66.1174.2130.800111.6I390 R391 L397 Q398 L428I390-E394 HydrophobicContact CG2-CG 4.25Å; I390-E394 WeakPolarHBondContact O-CG 3.48Å; I390-E394 PolarHBondContact O-N 3.18Å; R391-E394 WeakPolarHBondContact CA-OE2 3.22Å; E394-L397 PolarHBondContact O-N 2.68Å; E394-Q398 VanDerWaalsContact O-CG 3.27Å; E394-Q398 WeakPolarHBondContact O-CG 3.16Å; E394-Q398 PolarHBondContact O-N 3.01Å; E394-L428 HydrophobicContact CG-CD1 4.47Å; E394-L428 HydrophobicContact CG-CD2 3.95Å
395L96.1Very high94.4Very high3 Ų356.4 Ų56.42%0.01626%0.261CS..Hα-helixtrans-62.7-45.3178.2-177.870.1000112.6T357 A360 R361 L364 R391 V392 I393 L397 Q398 Y399T357-L395 HydrophobicContact CG2-CD2 4.09Å; T357-L395 VanDerWaalsContact O-CD2 3.31Å; T357-L395 WeakPolarHBondContact O-CD2 3.42Å; A360-L395 HydrophobicContact CB-CD2 3.78Å; R361-L395 HydrophobicContact CB-CD1 4.34Å; R361-L395 HydrophobicContact CB-CD2 4.1Å; R361-L395 HydrophobicContact CG-CD1 4.32Å; L364-L395 HydrophobicContact CD1-CD2 4.09Å; L364-L395 HydrophobicContact CD1-CG 3.96Å; R391-L395 VanDerWaalsContact O-CB 3.29Å; R391-L395 WeakPolarHBondContact O-CB 3.21Å; R391-L395 PolarHBondContact O-N 2.89Å; R391-L395 VanDerWaalsContact O-N 3.1Å; V392-L395 PolarHBondContact O-N 3.39Å; I393-L395 PolarHBondContact O-N 3.04Å; L395-L397 VanDerWaalsContact C-N 3.33Å; L395-L397 PolarHBondContact O-N 2.89Å; L395-Q398 WeakPolarHBondContact O-CB 3.47Å; L395-Q398 PolarHBondContact O-N 2.88Å; L395-Y399 HydrophobicContact CD1-CD2 4.14Å; L395-Y399 HydrophobicContact CD1-CE2 3.64Å; L395-Y399 HydrophobicContact CG-CE2 4.45Å; L395-Y399 VanDerWaalsContact O-CD2 3.29Å; L395-Y399 WeakPolarHBondContact O-CD2 3.43Å; L395-Y399 PolarHBondContact O-N 3.32Å
396L96.9Very high94.3Very high0 Ų058.4 Ų58.40%027%0.273CS..Hα-helixtrans-64.3-39.8178.7-71.6168.2000111L348 L364 V370 P380 L381 A384 V392 I393 Q398 Y399 A401L348-L396 HydrophobicContact CD1-CD2 4.3Å; L348-L396 HydrophobicContact CD2-CD2 4.17Å; L348-L396 HydrophobicContact CG-CD2 4.44Å; L364-L396 HydrophobicContact CD1-CD2 4.33Å; V370-L396 HydrophobicContact CG2-CB 4.43Å; V370-L396 HydrophobicContact CG2-CD2 3.66Å; P380-L396 HydrophobicContact CB-CD1 3.88Å; P380-L396 HydrophobicContact CB-CD2 3.99Å; L381-L396 HydrophobicContact CB-CD1 4.25Å; L381-L396 HydrophobicContact CD1-CB 4.4Å; A384-L396 HydrophobicContact CB-CD1 4.11Å; V392-L396 HydrophobicContact CG1-CD1 3.91Å; V392-L396 HydrophobicContact CG1-CG 4.1Å; V392-L396 VanDerWaalsContact O-CB 3.3Å; V392-L396 WeakPolarHBondContact O-CB 3.49Å; V392-L396 WeakPolarHBondContact O-CD1 3.46Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.39Å; I393-L396 PolarHBondContact O-N 3.34Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.43Å; L396-Y399 CarbonylContact O-C 3.56Å; L396-Y399 PolarHBondContact O-N 3.42Å; L396-A401 HydrophobicContact CB-CB 4Å; L396-A401 WeakPolarHBondContact O-CB 3.39Å; L396-A401 PolarHBondContact O-N 3.33Å; L396-A401 VanDerWaalsContact O-N 3.08Å
397L94.8Very high94.2Very high18 Ų1854.8 Ų54.89%0.09426%0.258CS..Hα-helixtrans-66.6-32.1175.1-69170.6000112.7L381 I393 E394 L395 Y399 D400 I403 L428 H432L381-L397 HydrophobicContact CD1-CG 4.45Å; L381-L397 HydrophobicContact CD2-CD2 4.21Å; I393-L397 HydrophobicContact CG2-CD1 3.89Å; I393-L397 WeakPolarHBondContact O-CB 3.46Å; I393-L397 VanDerWaalsContact O-CG 3.25Å; I393-L397 WeakPolarHBondContact O-CG 3.3Å; I393-L397 PolarHBondContact O-N 3.3Å; E394-L397 PolarHBondContact O-N 2.68Å; L395-L397 VanDerWaalsContact C-N 3.33Å; L395-L397 PolarHBondContact O-N 2.89Å; L397-Y399 PolarHBondContact O-N 2.79Å; L397-D400 PolarHBondContact O-N 2.73Å; L397-I403 HydrophobicContact CD2-CB 4.34Å; L397-I403 HydrophobicContact CD2-CD1 3.78Å; L397-I403 HydrophobicContact CD2-CG1 4.13Å; L397-L428 HydrophobicContact CD1-CG 4.3Å; L397-H432 HydrophobicContact CD1-CB 4.13Å; L397-H432 HydrophobicContact CD2-CB 4.2Å
398Q94.1Very high93.9Very high133 Ų13357.8 Ų57.862%0.62127%0.272SS*.Hα-helixtrans-68.1-20.3172.6-74.3167.52100113.9E394 L395 L396E394-Q398 VanDerWaalsContact O-CG 3.27Å; E394-Q398 WeakPolarHBondContact O-CG 3.16Å; E394-Q398 PolarHBondContact O-N 3.01Å; L395-Q398 WeakPolarHBondContact O-CB 3.47Å; L395-Q398 PolarHBondContact O-N 2.88Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.43Å
399Y95Very high93.6Very high73 Ų7354.8 Ų54.829%0.28626%0.262SS..THydrogen-bonded Turntrans-108.935.2177.1-72.4-114.5000111.3L364 D365 V370 L395 L396 L397 A401L364-Y399 HydrophobicContact CB-CD1 3.59Å; L364-Y399 HydrophobicContact CB-CE1 3.59Å; L364-Y399 HydrophobicContact CB-CG 4.15Å; L364-Y399 HydrophobicContact CD1-CD1 4.32Å; L364-Y399 HydrophobicContact CD1-CD2 4.07Å; L364-Y399 HydrophobicContact CD1-CE2 4.41Å; L364-Y399 HydrophobicContact CD1-CG 4Å; L364-Y399 HydrophobicContact CD2-CD1 4.44Å; L364-Y399 HydrophobicContact CD2-CG 4.46Å; L364-Y399 HydrophobicContact CG-CD1 4.33Å; L364-Y399 HydrophobicContact CG-CG 4.44Å; D365-Y399 PolarHBondContact OD1-OH 3.34Å; V370-Y399 WeakPolarHBondContact CG1-O 3.38Å; L395-Y399 HydrophobicContact CD1-CD2 4.14Å; L395-Y399 HydrophobicContact CD1-CE2 3.64Å; L395-Y399 HydrophobicContact CG-CE2 4.45Å; L395-Y399 VanDerWaalsContact O-CD2 3.29Å; L395-Y399 WeakPolarHBondContact O-CD2 3.43Å; L395-Y399 PolarHBondContact O-N 3.32Å; L396-Y399 CarbonylContact O-C 3.56Å; L396-Y399 PolarHBondContact O-N 3.42Å; L397-Y399 PolarHBondContact O-N 2.79Å; Y399-A401 PolarHBondContact O-N 2.96Å
400D92Very high93.3Very high141 Ų14153.1 Ų53.175%0.75426%0.256SS*.THydrogen-bonded Turntrans56.838.6174-64.1-45.4000115.4L397 Q402L397-D400 PolarHBondContact O-N 2.73Å; D400-Q402 PolarHBondContact O-N 3.37Å
401A94.6Very high93.4Very high9 Ų952.6 Ų52.67%0.07425%0.254CS..  trans-58.7128.4169.100000111.8V370 L381 L396 Y399 I403V370-A401 HydrophobicContact CG2-CB 3.8Å; L381-A401 HydrophobicContact CB-CB 4.42Å; L381-A401 HydrophobicContact CD2-CB 3.94Å; L396-A401 HydrophobicContact CB-CB 4Å; L396-A401 WeakPolarHBondContact O-CB 3.39Å; L396-A401 PolarHBondContact O-N 3.33Å; L396-A401 VanDerWaalsContact O-N 3.08Å; Y399-A401 PolarHBondContact O-N 2.96Å; A401-I403 PolarHBondContact O-N 3.11Å
402Q93Very high93.4Very high111 Ų11143.7 Ų43.752%0.51922%0.22SC..  trans-73.190.9-176.6-70.9-178.414.300111.2N371 D400 N404 M405N371-Q402 WeakPolarHBondContact OD1-CB 3.3Å; N371-Q402 PolarHBondContact OD1-N 2.88Å; D400-Q402 PolarHBondContact O-N 3.37Å; Q402-N404 PolarHBondContact O-N 2.8Å; Q402-M405 HydrophobicContact CB-CB 4.17Å; Q402-M405 HydrophobicContact CB-CE 4.26Å; Q402-M405 WeakPolarHBondContact O-CB 3.28Å; Q402-M405 PolarHBondContact O-N 3.43Å
403I93.5Very high93.4Very high16 Ų1643.7 Ų43.78%0.08222%0.22CC..THydrogen-bonded Turntrans-58.7-17.4-172.1-158.4168000115.8L397 A401 P413 L429 H432 A434L397-I403 HydrophobicContact CD2-CB 4.34Å; L397-I403 HydrophobicContact CD2-CD1 3.78Å; L397-I403 HydrophobicContact CD2-CG1 4.13Å; A401-I403 PolarHBondContact O-N 3.11Å; I403-P413 WeakPolarHBondContact O-CD 3.44Å; I403-L429 HydrophobicContact CD1-CB 4.24Å; I403-L429 HydrophobicContact CD1-CD2 3.84Å; I403-L429 WeakPolarHBondContact CD1-O 3.29Å; I403-L429 HydrophobicContact CG1-CD2 3.74Å; I403-H432 HydrophobicContact CD1-CB 3.6Å; I403-A434 HydrophobicContact CD1-CB 3.92Å; I403-A434 HydrophobicContact CG1-CB 3.97Å
404N91.2Very high93.4Very high60 Ų6043.8 Ų43.832%0.32122%0.22SC..THydrogen-bonded Turntrans-113.26.1-179.8-62.8-51.9000113.6Q402 G433 A434 N435 Q438Q402-N404 PolarHBondContact O-N 2.8Å; N404-G433 PolarHBondContact ND2-O 3Å; N404-A434 WeakPolarHBondContact OD1-CA 3.14Å; N404-N435 PolarHBondContact OD1-N 3.16Å; N404-Q438 PolarHBondContact O-NE2 2.91Å
405M92.4Very high93.5Very high42 Ų4240.1 Ų40.121%0.20720%0.203CC..  trans-63.6148.7171.3-174.2177.6-62.600109.9N371 R373 T379 H382 Q402 P413N371-M405 HydrophobicContact CB-CE 3.95Å; R373-M405 HydrophobicContact CG-SD 4.2Å; R373-M405 PolarHBondContact NH1-SD 2.96Å; R373-M405 VanDerWaalsContact NH1-SD 3.35Å; T379-M405 HydrophobicContact CG2-CG 4.35Å; T379-M405 HydrophobicContact CG2-SD 3.46Å; T379-M405 WeakPolarHBondContact CG2-SD 3.27Å; H382-M405 PolarHBondContact CE1-O 3.27Å; H382-M405 PolarHBondContact NE2-O 2.9Å; Q402-M405 HydrophobicContact CB-CB 4.17Å; Q402-M405 HydrophobicContact CB-CE 4.26Å; Q402-M405 WeakPolarHBondContact O-CB 3.28Å; Q402-M405 PolarHBondContact O-N 3.43Å; M405-P413 WeakPolarHBondContact O-CD 3.22Å
406T93.5Very high93.4Very high42 Ų4240.5 Ų40.526%0.25821%0.206SC..  trans-118.4156-177.659.60000114.4R373 G410 L411R373-T406 VanDerWaalsContact CZ-O 3.26Å; R373-T406 PolarHBondContact NH1-O 3.09Å; R373-T406 PolarHBondContact NH2-O 2.95Å; T406-G410 WeakPolarHBondContact CG2-O 3.28Å; T406-L411 CarbonylContact C-O 3.54Å; T406-L411 WeakPolarHBondContact CA-O 3.41Å; T406-L411 WeakPolarHBondContact CB-O 3.46Å
407T92.7Very high93.3Very high2 Ų240.5 Ų40.51%0.01221%0.206CC..  trans-61.1173.4159.168.10000111.3N376 F378 S409 G410 L411N376-T407 WeakPolarHBondContact O-CB 3.46Å; F378-T407 HydrophobicContact CD1-CG2 4.48Å; F378-T407 HydrophobicContact CD2-CG2 3.6Å; F378-T407 HydrophobicContact CE1-CG2 4.41Å; F378-T407 HydrophobicContact CE2-CG2 3.53Å; F378-T407 HydrophobicContact CG-CG2 4.09Å; F378-T407 HydrophobicContact CZ-CG2 3.95Å; T407-S409 PolarHBondContact O-N 3.13Å; T407-S409 PolarHBondContact OG1-N 2.77Å; T407-S409 PolarHBondContact OG1-OG 2.89Å; T407-G410 PolarHBondContact O-N 3.2Å; T407-L411 HydrophobicContact CG2-CB 4.13Å; T407-L411 PolarHBondContact N-O 2.84Å; T407-L411 WeakPolarHBondContact OG1-CB 3.33Å; T407-L411 PolarHBondContact OG1-N 3.21Å; T407-L411 VanDerWaalsContact OG1-N 3.15Å
408E88.5Confident93.4Very high108 Ų10839.7 Ų39.751%0.50520%0.202SC..THydrogen-bonded Turntrans-60.4-33173.6-50.5-46.8136.100112R373 G377 G410R373-E408 IonicContact CZ-OE1 2.69Å; R373-E408 IonicContact NE-OE1 2.69Å; R373-E408 IonicContact NH2-OE1 2.73Å; R373-E408 PolarHBondContact NH2-OE1 2.92Å; R373-E408 IonicContact NH2-OE2 3.3Å; G377-E408 WeakPolarHBondContact CA-OE1 3.44Å; G377-E408 PolarHBondContact N-OE1 2.62Å; E408-G410 PolarHBondContact O-N 2.88Å
409S85.9Confident93.4Very high27 Ų2736.9 Ų36.919%0.18919%0.187CC..THydrogen-bonded Turntrans-69.3-5172.5-13.60000115T407 M441 E912T407-S409 PolarHBondContact O-N 3.13Å; T407-S409 PolarHBondContact OG1-N 2.77Å; T407-S409 PolarHBondContact OG1-OG 2.89Å; S409-M441 WeakPolarHBondContact O-CG 3.42Å; S409-M441 PolarHBondContact O-N 2.81Å; S409-E912 WeakPolarHBondContact CA-OE1 3.18Å; S409-E912 WeakPolarHBondContact CB-OE1 3.34Å; S409-E912 WeakPolarHBondContact CB-OE2 3.27Å; S409-E912 PolarHBondContact OG-OE2 3.04Å
410G90.2Very high93.2Very high6 Ų635.1 Ų35.16%0.06218%0.183CC..  trans78.211.9-173.800000115.1T406 T407 E408 H415T406-G410 WeakPolarHBondContact CG2-O 3.28Å; T407-G410 PolarHBondContact O-N 3.2Å; E408-G410 PolarHBondContact O-N 2.88Å; G410-H415 PolarHBondContact O-ND1 3.46Å
411L94.3Very high93.1Very high46 Ų4629.2 Ų29.224%0.24116%0.155CC..  trans-74.6128.8173.9-61.8166.8000109.3H382 T406 T407 H415 V416 T440 L449H382-L411 PolarHBondContact NE2-O 2.97Å; H382-L411 VanDerWaalsContact NE2-O 3.08Å; T406-L411 CarbonylContact C-O 3.54Å; T406-L411 WeakPolarHBondContact CA-O 3.41Å; T406-L411 WeakPolarHBondContact CB-O 3.46Å; T407-L411 HydrophobicContact CG2-CB 4.13Å; T407-L411 PolarHBondContact N-O 2.84Å; T407-L411 WeakPolarHBondContact OG1-CB 3.33Å; T407-L411 PolarHBondContact OG1-N 3.21Å; T407-L411 VanDerWaalsContact OG1-N 3.15Å; L411-H415 HydrophobicContact CB-CB 4.18Å; L411-H415 HydrophobicContact CD2-CB 3.86Å; L411-V416 HydrophobicContact CB-CG2 4.43Å; L411-T440 HydrophobicContact CD2-CG2 3.79Å; L411-L449 HydrophobicContact CD2-CD1 3.86Å
412S95.7Very high92.6Very high1 Ų129.1 Ų29.11%0.00716%0.155CC..  trans-96.3171.9170.768.90000110.8L414 H415 V416 Q438S412-L414 PolarHBondContact O-N 3.07Å; S412-H415 PolarHBondContact N-ND1 3.09Å; S412-H415 WeakPolarHBondContact O-CB 3.49Å; S412-H415 PolarHBondContact O-N 2.85Å; S412-H415 PolarHBondContact OG-N 3.31Å; S412-H415 PolarHBondContact OG-ND1 2.93Å; S412-V416 PolarHBondContact O-N 3.38Å; S412-Q438 VanDerWaalsContact CB-OE1 3.31Å; S412-Q438 PolarHBondContact OG-OE1 3.21Å
413P95.9Very high92.4Very high0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-53.3-35.9172.3-27.736000112.8L381 H382 I403 M405 V416 A417 L429L381-P413 HydrophobicContact CD2-CB 4.17Å; L381-P413 HydrophobicContact CD2-CG 3.76Å; L381-P413 HydrophobicContact CG-CB 4.06Å; L381-P413 HydrophobicContact CG-CG 3.91Å; H382-P413 WeakPolarHBondContact NE2-CD 3.19Å; I403-P413 WeakPolarHBondContact O-CD 3.44Å; M405-P413 WeakPolarHBondContact O-CD 3.22Å; P413-V416 PolarHBondContact O-N 3.5Å; P413-A417 WeakPolarHBondContact O-CB 3.31Å; P413-A417 PolarHBondContact O-N 3Å; P413-L429 HydrophobicContact CB-CD1 4.22Å; P413-L429 HydrophobicContact CB-CD2 4.16Å
414L96.6Very high92.3Very high2 Ų231.8 Ų31.81%0.0117%0.172CC..Hα-helixtrans-70.6-38.8175.7-171.665.9000112.3S412 V416 A417 A418 V426 L429 I430 A434 A446 L462S412-L414 PolarHBondContact O-N 3.07Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 2.91Å; L414-A417 PolarHBondContact O-N 3.06Å; L414-A418 WeakPolarHBondContact O-CB 3.27Å; L414-A418 PolarHBondContact O-N 2.86Å; L414-V426 HydrophobicContact CD1-CB 4.43Å; L414-V426 HydrophobicContact CD1-CG1 4.07Å; L414-V426 HydrophobicContact CD1-CG2 4.37Å; L414-L429 HydrophobicContact CD1-CB 4.24Å; L414-L429 HydrophobicContact CD1-CD1 4.32Å; L414-I430 HydrophobicContact CD1-CD1 4.41Å; L414-I430 HydrophobicContact CD1-CG1 4.11Å; L414-I430 HydrophobicContact CD2-CG1 4.45Å; L414-A434 HydrophobicContact CB-CB 4.18Å; L414-A434 HydrophobicContact CD1-CB 4.49Å; L414-A434 HydrophobicContact CD2-CB 4Å; L414-A434 HydrophobicContact CG-CB 4.45Å; L414-A446 HydrophobicContact CD2-CB 4.28Å; L414-A446 HydrophobicContact CG-CB 4.14Å; L414-L462 HydrophobicContact CD1-CD2 4.42Å; L414-L462 HydrophobicContact CD2-CD2 4.4Å
415H96Very high92.5Very high2 Ų229.1 Ų29.11%0.00916%0.157CC..Hα-helixtrans-59.2-43.2171.4-71.3145.6000111.6G410 L411 S412 F419 Q438 A446 L449G410-H415 PolarHBondContact O-ND1 3.46Å; L411-H415 HydrophobicContact CB-CB 4.18Å; L411-H415 HydrophobicContact CD2-CB 3.86Å; S412-H415 PolarHBondContact N-ND1 3.09Å; S412-H415 WeakPolarHBondContact O-CB 3.49Å; S412-H415 PolarHBondContact O-N 2.85Å; S412-H415 PolarHBondContact OG-N 3.31Å; S412-H415 PolarHBondContact OG-ND1 2.93Å; H415-F419 WeakPolarHBondContact O-CB 3.31Å; H415-F419 PolarHBondContact O-N 3.28Å; H415-F419 VanDerWaalsContact O-N 3.08Å; H415-Q438 PolarHBondContact NE2-O 3.34Å; H415-Q438 VanDerWaalsContact NE2-O 3.16Å; H415-A446 PolarHBondContact CD2-N 3.33Å; H415-A446 VanDerWaalsContact CD2-N 3.28Å; H415-A446 PolarHBondContact NE2-N 3.35Å; H415-L449 HydrophobicContact CB-CD1 3.63Å
416V94.5Very high92.6Very high11 Ų1127.1 Ų27.17%0.06715%0.148CC..Hα-helixtrans-65.9-49.9177.3175.10000111.3C385 K386 L411 S412 P413 L414 A418 F419 I420C385-V416 HydrophobicContact CB-CG1 4.29Å; K386-V416 HydrophobicContact CB-CG1 3.8Å; K386-V416 HydrophobicContact CG-CG1 4.48Å; L411-V416 HydrophobicContact CB-CG2 4.43Å; S412-V416 PolarHBondContact O-N 3.38Å; P413-V416 PolarHBondContact O-N 3.5Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 2.91Å; V416-A418 VanDerWaalsContact C-N 3.33Å; V416-A418 PolarHBondContact O-N 3.23Å; V416-F419 PolarHBondContact O-N 2.67Å; V416-I420 HydrophobicContact CG1-CG1 4.25Å; V416-I420 WeakPolarHBondContact O-CB 3.48Å; V416-I420 WeakPolarHBondContact O-CG1 3.47Å; V416-I420 PolarHBondContact O-N 2.93Å
417A95.6Very high92.6Very high1 Ų129.4 Ų29.41%0.00816%0.155CC..Hα-helixtrans-62.6-38.4179.800000112.6P413 L414 G421 G422 I425 V426 L429P413-A417 WeakPolarHBondContact O-CB 3.31Å; P413-A417 PolarHBondContact O-N 3Å; L414-A417 PolarHBondContact O-N 3.06Å; A417-G421 PolarHBondContact O-N 3.15Å; A417-G421 VanDerWaalsContact O-N 3.14Å; A417-G422 PolarHBondContact O-N 3.22Å; A417-I425 HydrophobicContact CB-CB 4.34Å; A417-I425 HydrophobicContact CB-CG2 3.71Å; A417-V426 HydrophobicContact CB-CG2 3.81Å; A417-L429 HydrophobicContact CB-CD1 3.75Å
418A95.7Very high92.6Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-70.3-35.7178.800000113.2L414 V416 V426 A446 A450 V458 L462L414-A418 WeakPolarHBondContact O-CB 3.27Å; L414-A418 PolarHBondContact O-N 2.86Å; V416-A418 VanDerWaalsContact C-N 3.33Å; V416-A418 PolarHBondContact O-N 3.23Å; A418-V426 HydrophobicContact CB-CG2 4.4Å; A418-A446 HydrophobicContact CB-CB 3.96Å; A418-A450 HydrophobicContact CB-CB 4.5Å; A418-V458 HydrophobicContact CB-CG1 3.96Å; A418-L462 HydrophobicContact CB-CD1 4.07Å
419F94.4Very high93Very high74 Ų7425.2 Ų25.233%0.32514%0.136SC..Hα-helixtrans-70.9-43173-174.5-93.6000111.9H415 V416 G421 L449 N453H415-F419 WeakPolarHBondContact O-CB 3.31Å; H415-F419 PolarHBondContact O-N 3.28Å; H415-F419 VanDerWaalsContact O-N 3.08Å; V416-F419 PolarHBondContact O-N 2.67Å; F419-G421 VanDerWaalsContact C-N 3.27Å; F419-G421 PolarHBondContact O-N 2.81Å; F419-L449 HydrophobicContact CB-CB 4.29Å; F419-L449 HydrophobicContact CD2-CB 4.34Å; F419-N453 HydrophobicContact CD2-CB 3.99Å; F419-N453 HydrophobicContact CE2-CB 3.92Å; F419-N453 HydrophobicContact CZ-CB 4.4Å; F419-N453 PolarHBondContact O-ND2 3.12Å
420I91.4Very high93.4Very high36 Ų3625 Ų2519%0.18513%0.133CC..Hα-helixtrans-71.2-18.1-176.7-69.4-70.9000113.2K386 Q388 V416K386-I420 HydrophobicContact CG-CD1 4.39Å; Q388-I420 HydrophobicContact CG-CG2 4.1Å; V416-I420 HydrophobicContact CG1-CG1 4.25Å; V416-I420 WeakPolarHBondContact O-CB 3.48Å; V416-I420 WeakPolarHBondContact O-CG1 3.47Å; V416-I420 PolarHBondContact O-N 2.93Å
421G88.8Confident93.5Very high18 Ų1830.8 Ų30.819%0.18616%0.158CC..THydrogen-bonded Turntrans86.427.4174.100000115.1A417 F419 P423 Q455A417-G421 PolarHBondContact O-N 3.15Å; A417-G421 VanDerWaalsContact O-N 3.14Å; F419-G421 VanDerWaalsContact C-N 3.27Å; F419-G421 PolarHBondContact O-N 2.81Å; G421-P423 WeakPolarHBondContact O-CD 3.38Å; G421-Q455 VanDerWaalsContact CA-CD 3.49Å
422G85.5Confident93.4Very high7 Ų733.1 Ų33.17%0.07217%0.168CC..  trans-97.489.6178.500000112.7A417 E424 I425 V426A417-G422 PolarHBondContact O-N 3.22Å; G422-E424 VanDerWaalsContact C-N 3.33Å; G422-E424 PolarHBondContact O-N 3.3Å; G422-I425 PolarHBondContact O-N 2.91Å; G422-I425 VanDerWaalsContact O-N 3.14Å; G422-V426 WeakPolarHBondContact O-CG2 3.23Å; G422-V426 PolarHBondContact O-N 2.66Å
423P88.4Confident93.2Very high49 Ų4935.4 Ų35.432%0.31819%0.191SC..Hα-helixtrans-62.6-37-175.725.3-35.2000112.9G421 I425 V426 Q427 V458G421-P423 WeakPolarHBondContact O-CD 3.38Å; P423-I425 VanDerWaalsContact C-N 3.33Å; P423-I425 PolarHBondContact O-N 3.26Å; P423-V426 PolarHBondContact O-N 3.21Å; P423-Q427 WeakPolarHBondContact O-CB 3.47Å; P423-Q427 PolarHBondContact O-N 3.3Å; P423-V458 HydrophobicContact CB-CG2 4.35Å
424E90.9Very high93.1Very high134 Ų13435.7 Ų35.763%0.62619%0.194SC*.Hα-helixtrans-59.9-42.7174.6-62.1179.217500111.7I390 G422 Q427 L428I390-E424 WeakPolarHBondContact CD1-OE2 3.42Å; G422-E424 VanDerWaalsContact C-N 3.33Å; G422-E424 PolarHBondContact O-N 3.3Å; E424-Q427 PolarHBondContact O-N 3.3Å; E424-L428 VanDerWaalsContact O-CB 3.25Å; E424-L428 WeakPolarHBondContact O-CB 3.15Å; E424-L428 PolarHBondContact O-N 3.15Å
425I94.9Very high92.9Very high4 Ų439.4 Ų39.42%0.02121%0.213CC..Hα-helixtrans-71.1-41.1178.9-61.4170.9000110.4C385 Q388 I390 I393 A417 G422 P423 Q427 L428 L429C385-I425 HydrophobicContact CB-CG2 4.44Å; Q388-I425 HydrophobicContact CB-CD1 3.86Å; Q388-I425 HydrophobicContact CG-CD1 3.98Å; I390-I425 HydrophobicContact CG1-CD1 4.38Å; I390-I425 HydrophobicContact CG1-CG1 4.08Å; I393-I425 HydrophobicContact CD1-CB 4.47Å; I393-I425 HydrophobicContact CD1-CD1 3.85Å; I393-I425 HydrophobicContact CD1-CG1 3.93Å; I393-I425 HydrophobicContact CD1-CG2 3.72Å; A417-I425 HydrophobicContact CB-CB 4.34Å; A417-I425 HydrophobicContact CB-CG2 3.71Å; G422-I425 PolarHBondContact O-N 2.91Å; G422-I425 VanDerWaalsContact O-N 3.14Å; P423-I425 VanDerWaalsContact C-N 3.33Å; P423-I425 PolarHBondContact O-N 3.26Å; I425-Q427 VanDerWaalsContact C-N 3.34Å; I425-Q427 PolarHBondContact O-N 3.17Å; I425-L428 PolarHBondContact O-N 3.49Å; I425-L429 HydrophobicContact CG2-CD1 3.91Å; I425-L429 HydrophobicContact CG2-CG 4.27Å; I425-L429 WeakPolarHBondContact O-CB 3.48Å; I425-L429 WeakPolarHBondContact O-CG 3.42Å; I425-L429 PolarHBondContact O-N 3.14Å
426V95.3Very high92.8Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-59.2-46173.7167.20000110.4L414 A417 A418 G422 P423 L429 I430 V458 T461 L462L414-V426 HydrophobicContact CD1-CB 4.43Å; L414-V426 HydrophobicContact CD1-CG1 4.07Å; L414-V426 HydrophobicContact CD1-CG2 4.37Å; A417-V426 HydrophobicContact CB-CG2 3.81Å; A418-V426 HydrophobicContact CB-CG2 4.4Å; G422-V426 WeakPolarHBondContact O-CG2 3.23Å; G422-V426 PolarHBondContact O-N 2.66Å; P423-V426 PolarHBondContact O-N 3.21Å; V426-L429 PolarHBondContact O-N 3.19Å; V426-I430 HydrophobicContact CG1-CD1 3.77Å; V426-I430 WeakPolarHBondContact O-CB 3.2Å; V426-I430 WeakPolarHBondContact O-CD1 3.26Å; V426-I430 WeakPolarHBondContact O-CG1 3.38Å; V426-I430 PolarHBondContact O-N 3.01Å; V426-V458 HydrophobicContact CG2-CG1 4.11Å; V426-T461 HydrophobicContact CG1-CG2 4.06Å; V426-L462 HydrophobicContact CG1-CD2 4.01Å; V426-L462 HydrophobicContact CG1-CG 4.22Å
427Q93.1Very high92.8Very high90 Ų9042.6 Ų42.642%0.42123%0.23SC..Hα-helixtrans-65.1-45.5177.1-169.817822.200112P423 E424 I425 L429 I430 Q431P423-Q427 WeakPolarHBondContact O-CB 3.47Å; P423-Q427 PolarHBondContact O-N 3.3Å; E424-Q427 PolarHBondContact O-N 3.3Å; I425-Q427 VanDerWaalsContact C-N 3.34Å; I425-Q427 PolarHBondContact O-N 3.17Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.5Å; Q427-I430 PolarHBondContact O-N 3.39Å; Q427-Q431 WeakPolarHBondContact O-CB 3.26Å; Q427-Q431 VanDerWaalsContact O-CG 3.28Å; Q427-Q431 WeakPolarHBondContact O-CG 3.41Å; Q427-Q431 PolarHBondContact O-N 3.08Å
428L93.5Very high92.6Very high22 Ų2244.2 Ų44.212%0.11524%0.238CC..Hα-helixtrans-58.3-44.6176.5179.166.2000111.6I390 I393 E394 L397 E424 I425 Q431 H432I390-L428 HydrophobicContact CG2-CD2 4.41Å; I393-L428 HydrophobicContact CB-CD2 4.29Å; I393-L428 HydrophobicContact CG2-CD2 3.75Å; E394-L428 HydrophobicContact CG-CD1 4.47Å; E394-L428 HydrophobicContact CG-CD2 3.95Å; L397-L428 HydrophobicContact CD1-CG 4.3Å; E424-L428 VanDerWaalsContact O-CB 3.25Å; E424-L428 WeakPolarHBondContact O-CB 3.15Å; E424-L428 PolarHBondContact O-N 3.15Å; I425-L428 PolarHBondContact O-N 3.49Å; L428-Q431 PolarHBondContact O-N 3.1Å; L428-H432 PolarHBondContact O-N 3.44Å; L428-H432 PolarHBondContact O-ND1 2.95Å
429L96Very high92.4Very high0 Ų046.4 Ų46.40%026%0.256CS..Hα-helixtrans-65.4-42.8177.5-71.9170.1000111.6I403 P413 L414 A417 I425 V426 Q427 H432 G433 A434I403-L429 HydrophobicContact CD1-CB 4.24Å; I403-L429 HydrophobicContact CD1-CD2 3.84Å; I403-L429 WeakPolarHBondContact CD1-O 3.29Å; I403-L429 HydrophobicContact CG1-CD2 3.74Å; P413-L429 HydrophobicContact CB-CD1 4.22Å; P413-L429 HydrophobicContact CB-CD2 4.16Å; L414-L429 HydrophobicContact CD1-CB 4.24Å; L414-L429 HydrophobicContact CD1-CD1 4.32Å; A417-L429 HydrophobicContact CB-CD1 3.75Å; I425-L429 HydrophobicContact CG2-CD1 3.91Å; I425-L429 HydrophobicContact CG2-CG 4.27Å; I425-L429 WeakPolarHBondContact O-CB 3.48Å; I425-L429 WeakPolarHBondContact O-CG 3.42Å; I425-L429 PolarHBondContact O-N 3.14Å; V426-L429 PolarHBondContact O-N 3.19Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.5Å; L429-H432 CarbonylContact O-C 3.51Å; L429-H432 PolarHBondContact O-N 2.94Å; L429-H432 VanDerWaalsContact O-N 3.17Å; L429-G433 PolarHBondContact O-N 3.35Å; L429-A434 HydrophobicContact CB-CB 3.95Å; L429-A434 VanDerWaalsContact O-CB 3.23Å; L429-A434 WeakPolarHBondContact O-CB 3.36Å; L429-A434 PolarHBondContact O-N 3.25Å
430I94.5Very high92.3Very high23 Ų2343.6 Ų43.612%0.11825%0.245CC..Hα-helixtrans-65.3-40.4178.2-68.7168.6000111.2L414 V426 Q427 H432 G433 V436 L462 H465L414-I430 HydrophobicContact CD1-CD1 4.41Å; L414-I430 HydrophobicContact CD1-CG1 4.11Å; L414-I430 HydrophobicContact CD2-CG1 4.45Å; V426-I430 HydrophobicContact CG1-CD1 3.77Å; V426-I430 WeakPolarHBondContact O-CB 3.2Å; V426-I430 WeakPolarHBondContact O-CD1 3.26Å; V426-I430 WeakPolarHBondContact O-CG1 3.38Å; V426-I430 PolarHBondContact O-N 3.01Å; Q427-I430 PolarHBondContact O-N 3.39Å; I430-H432 PolarHBondContact O-N 3.47Å; I430-G433 PolarHBondContact O-N 3.25Å; I430-V436 HydrophobicContact CD1-CG2 4.17Å; I430-V436 HydrophobicContact CG1-CG2 4.05Å; I430-V436 HydrophobicContact CG2-CG2 4.33Å; I430-L462 HydrophobicContact CD1-CD2 4.13Å; I430-H465 HydrophobicContact CD1-CB 4.06Å; I430-H465 HydrophobicContact CG2-CB 3.85Å
431Q92.2Very high92.2Very high127 Ų12748.3 Ų48.359%0.59327%0.268SS*.Hα-helixtrans-60.2-30.9173.8-74.2171.6-2.100112.7Q427 L428Q427-Q431 WeakPolarHBondContact O-CB 3.26Å; Q427-Q431 VanDerWaalsContact O-CG 3.28Å; Q427-Q431 WeakPolarHBondContact O-CG 3.41Å; Q427-Q431 PolarHBondContact O-N 3.08Å; L428-Q431 PolarHBondContact O-N 3.1Å
432H92Very high92.2Very high95 Ų9550.7 Ų50.744%0.4427%0.271SS..THydrogen-bonded Turntrans-9214.6175.2-68.281.4000113.8L397 I403 L428 L429 I430L397-H432 HydrophobicContact CD1-CB 4.13Å; L397-H432 HydrophobicContact CD2-CB 4.2Å; I403-H432 HydrophobicContact CD1-CB 3.6Å; L428-H432 PolarHBondContact O-N 3.44Å; L428-H432 PolarHBondContact O-ND1 2.95Å; L429-H432 CarbonylContact O-C 3.51Å; L429-H432 PolarHBondContact O-N 2.94Å; L429-H432 VanDerWaalsContact O-N 3.17Å; I430-H432 PolarHBondContact O-N 3.47Å
433G91.5Very high92.3Very high48 Ų4853.5 Ų53.550%0.49529%0.289SS..THydrogen-bonded Turntrans87.324.1170.500000115.9N404 L429 I430 N435N404-G433 PolarHBondContact ND2-O 3Å; L429-G433 PolarHBondContact O-N 3.35Å; I430-G433 PolarHBondContact O-N 3.25Å; G433-N435 PolarHBondContact O-N 3.15Å
434A94.4Very high92.6Very high7 Ų752 Ų526%0.05828%0.278CS..  trans-61.5132.9169.500000111.3I403 N404 L414 L429 V436I403-A434 HydrophobicContact CD1-CB 3.92Å; I403-A434 HydrophobicContact CG1-CB 3.97Å; N404-A434 WeakPolarHBondContact OD1-CA 3.14Å; L414-A434 HydrophobicContact CB-CB 4.18Å; L414-A434 HydrophobicContact CD1-CB 4.49Å; L414-A434 HydrophobicContact CD2-CB 4Å; L414-A434 HydrophobicContact CG-CB 4.45Å; L429-A434 HydrophobicContact CB-CB 3.95Å; L429-A434 VanDerWaalsContact O-CB 3.23Å; L429-A434 WeakPolarHBondContact O-CB 3.36Å; L429-A434 PolarHBondContact O-N 3.25Å; A434-V436 PolarHBondContact O-N 3.32Å
435N92.9Very high92.8Very high79 Ų7945.9 Ų45.942%0.42225%0.249SC..  trans-76.399.2179.6178.48.7000110.5N404 G433 N437 Q438N404-N435 PolarHBondContact OD1-N 3.16Å; G433-N435 PolarHBondContact O-N 3.15Å; N435-N437 PolarHBondContact O-N 2.84Å; N435-N437 PolarHBondContact OD1-N 3.2Å; N435-Q438 HydrophobicContact CB-CB 4.12Å; N435-Q438 WeakPolarHBondContact O-CB 3.43Å; N435-Q438 PolarHBondContact O-N 2.92Å; N435-Q438 PolarHBondContact OD1-N 3.46Å
436V94.3Very high92.8Very high14 Ų1445.7 Ų45.79%0.08525%0.249CC..THydrogen-bonded Turntrans-51.2-27176.9-168.20000113.4I430 A434 L462 H465 A467I430-V436 HydrophobicContact CD1-CG2 4.17Å; I430-V436 HydrophobicContact CG1-CG2 4.05Å; I430-V436 HydrophobicContact CG2-CG2 4.33Å; A434-V436 PolarHBondContact O-N 3.32Å; V436-L462 HydrophobicContact CG1-CD2 3.96Å; V436-H465 HydrophobicContact CG2-CB 4.47Å; V436-A467 HydrophobicContact CG1-CB 3.67Å
437N93.5Very high92.9Very high66 Ų6645.7 Ų45.735%0.35325%0.249SC..THydrogen-bonded Turntrans-111.318.9-178.2-67.3-65.9000113.5N435 G466 S468N435-N437 PolarHBondContact O-N 2.84Å; N435-N437 PolarHBondContact OD1-N 3.2Å; N437-G466 PolarHBondContact ND2-O 2.99Å; N437-S468 VanDerWaalsContact OD1-CB 3.28Å; N437-S468 WeakPolarHBondContact OD1-CB 3.43Å; N437-S468 PolarHBondContact OD1-N 2.96Å
438Q91.8Very high93Very high35 Ų3541.4 Ų41.416%0.16423%0.229CC..  trans-62.1152.3164.1-166.7168.513.500109.6N404 S412 H415 N435 T445N404-Q438 PolarHBondContact O-NE2 2.91Å; S412-Q438 VanDerWaalsContact CB-OE1 3.31Å; S412-Q438 PolarHBondContact OG-OE1 3.21Å; H415-Q438 PolarHBondContact NE2-O 3.34Å; H415-Q438 VanDerWaalsContact NE2-O 3.16Å; N435-Q438 HydrophobicContact CB-CB 4.12Å; N435-Q438 WeakPolarHBondContact O-CB 3.43Å; N435-Q438 PolarHBondContact O-N 2.92Å; N435-Q438 PolarHBondContact OD1-N 3.46Å; Q438-T445 WeakPolarHBondContact O-CA 3.46Å; Q438-T445 WeakPolarHBondContact O-CG2 3.41Å
439A91.8Very high93.1Very high46 Ų4640.9 Ų40.938%0.3823%0.226SC..BIsolated β-bridgetrans-130.6149.4-178.300000111.2E444 T445A439-E444 CarbonylContact C-O 3.48Å; A439-E444 VanDerWaalsContact CA-O 3.26Å; A439-E444 WeakPolarHBondContact CA-O 3.26Å; A439-T445 HydrophobicContact CB-CG2 4.27Å
440T92.5Very high93.1Very high16 Ų1640.9 Ų40.910%0.09823%0.226CC..  trans-78-179.1176.964.90000112.3L411 R442 C443 E444L411-T440 HydrophobicContact CD2-CG2 3.79Å; T440-R442 PolarHBondContact O-N 3.46Å; T440-R442 VanDerWaalsContact O-N 3.1Å; T440-R442 PolarHBondContact OG1-N 2.91Å; T440-C443 WeakPolarHBondContact O-CA 3.31Å; T440-C443 PolarHBondContact O-N 3.22Å; T440-E444 WeakPolarHBondContact CG2-O 3.47Å; T440-E444 PolarHBondContact N-O 3.37Å; T440-E444 PolarHBondContact OG1-N 3.16Å; T440-E444 PolarHBondContact OG1-O 3.26Å
441M88.5Confident93.1Very high135 Ų13539.8 Ų39.867%0.66522%0.221SC*.THydrogen-bonded Turntrans-60.7-14.7170.4-65.7-64.9-79.100113.7S409S409-M441 WeakPolarHBondContact O-CG 3.42Å; S409-M441 PolarHBondContact O-N 2.81Å
442R88.2Confident93.2Very high68 Ų6838.2 Ų38.226%0.25721%0.209SC..THydrogen-bonded Turntrans-94.510.5170.2-57.5-171.1-163.4-173.513.1113.9T440 E444 A473 R474 S910 D911T440-R442 PolarHBondContact O-N 3.46Å; T440-R442 VanDerWaalsContact O-N 3.1Å; T440-R442 PolarHBondContact OG1-N 2.91Å; R442-E444 HydrophobicContact CB-CG 3.89Å; R442-E444 PolarHBondContact O-N 2.81Å; R442-E444 VanDerWaalsContact O-N 3.13Å; R442-A473 CarbonylContact O-C 3.47Å; R442-R474 WeakPolarHBondContact O-CB 3.44Å; R442-R474 PolarHBondContact O-N 2.85Å; R442-S910 VanDerWaalsContact CZ-O 3.22Å; R442-S910 PolarHBondContact NH1-O 2.79Å; R442-S910 PolarHBondContact NH2-O 3.15Å; R442-D911 IonicContact CZ-OD2 3.86Å; R442-D911 IonicContact NE-OD2 2.59Å; R442-D911 PolarHBondContact NE-OD2 2.93Å; R442-D911 IonicContact NH2-OD2 2.7Å; R442-D911 PolarHBondContact NH2-OD2 2.92Å
443C89.2Confident93.3Very high65 Ų6536.5 Ų36.544%0.43920%0.203SC..SBendtrans57.216.9-168.8-56.10000114.2T440T440-C443 WeakPolarHBondContact O-CA 3.31Å; T440-C443 PolarHBondContact O-N 3.22Å
444E93.2Very high93.4Very high17 Ų1739 Ų398%0.07920%0.197CC..  trans-81.2135.1178.1-66175.3171.500109.9A439 T440 R442 H448 R452 A473A439-E444 CarbonylContact C-O 3.48Å; A439-E444 VanDerWaalsContact CA-O 3.26Å; A439-E444 WeakPolarHBondContact CA-O 3.26Å; T440-E444 WeakPolarHBondContact CG2-O 3.47Å; T440-E444 PolarHBondContact N-O 3.37Å; T440-E444 PolarHBondContact OG1-N 3.16Å; T440-E444 PolarHBondContact OG1-O 3.26Å; R442-E444 HydrophobicContact CB-CG 3.89Å; R442-E444 PolarHBondContact O-N 2.81Å; R442-E444 VanDerWaalsContact O-N 3.13Å; E444-H448 HydrophobicContact CB-CB 4.03Å; E444-H448 HydrophobicContact CG-CB 4.44Å; E444-R452 IonicContact OE1-CZ 3.86Å; E444-R452 VanDerWaalsContact OE1-CZ 3.27Å; E444-R452 IonicContact OE1-NH1 3.57Å; E444-R452 PolarHBondContact OE1-NH1 3.11Å; E444-R452 IonicContact OE1-NH2 2.97Å; E444-R452 PolarHBondContact OE1-NH2 3.49Å; E444-R452 IonicContact OE2-CZ 2.91Å; E444-R452 IonicContact OE2-NH1 3.52Å; E444-R452 PolarHBondContact OE2-NH1 3.48Å; E444-R452 IonicContact OE2-NH2 2.66Å; E444-A473 HydrophobicContact CG-CB 3.8Å
445T95.6Very high93.3Very high6 Ų641.1 Ų41.14%0.03721%0.207CC..BIsolated β-bridgetrans-96.7170.3177.863.60000112.1Q438 A439 L447 H448 L449 A471Q438-T445 WeakPolarHBondContact O-CA 3.46Å; Q438-T445 WeakPolarHBondContact O-CG2 3.41Å; A439-T445 HydrophobicContact CB-CG2 4.27Å; T445-L447 PolarHBondContact O-N 2.82Å; T445-L447 VanDerWaalsContact O-N 3.1Å; T445-H448 PolarHBondContact N-ND1 3.44Å; T445-H448 WeakPolarHBondContact O-CA 3.44Å; T445-H448 WeakPolarHBondContact O-CB 3.34Å; T445-H448 PolarHBondContact O-N 3.04Å; T445-H448 PolarHBondContact OG1-ND1 3.35Å; T445-L449 PolarHBondContact O-N 3.34Å; T445-L449 VanDerWaalsContact O-N 3.16Å; T445-A471 HydrophobicContact CG2-CB 4.01Å
446A95.9Very high93.3Very high1 Ų139.6 Ų39.61%0.00820%0.2CC..Hα-helixtrans-50.7-35.5173.500000113.2L414 H415 A418 L449 A450 L462L414-A446 HydrophobicContact CD2-CB 4.28Å; L414-A446 HydrophobicContact CG-CB 4.14Å; H415-A446 PolarHBondContact CD2-N 3.33Å; H415-A446 VanDerWaalsContact CD2-N 3.28Å; H415-A446 PolarHBondContact NE2-N 3.35Å; A418-A446 HydrophobicContact CB-CB 3.96Å; A446-L449 PolarHBondContact O-N 2.97Å; A446-A450 WeakPolarHBondContact O-CB 3.35Å; A446-A450 PolarHBondContact O-N 3.48Å; A446-L462 HydrophobicContact CB-CD1 3.97Å; A446-L462 HydrophobicContact CB-CD2 3.93Å
447L96.4Very high93.3Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-68.9-35.3175.8-177.159.1000112.9T445 V451 A459 L462 I463 A467 P479 L495T445-L447 PolarHBondContact O-N 2.82Å; T445-L447 VanDerWaalsContact O-N 3.1Å; L447-V451 HydrophobicContact CD1-CG2 4.16Å; L447-V451 WeakPolarHBondContact O-CB 3.47Å; L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 2.95Å; L447-A459 HydrophobicContact CD1-CB 3.77Å; L447-L462 HydrophobicContact CB-CD1 4.5Å; L447-I463 HydrophobicContact CD1-CD1 4.01Å; L447-I463 HydrophobicContact CD1-CG1 3.93Å; L447-I463 HydrophobicContact CD2-CD1 4.3Å; L447-I463 HydrophobicContact CD2-CG1 3.87Å; L447-A467 HydrophobicContact CB-CB 4.15Å; L447-A467 HydrophobicContact CD2-CB 3.96Å; L447-P479 HydrophobicContact CD2-CB 4.17Å; L447-P479 HydrophobicContact CD2-CG 3.91Å; L447-P479 HydrophobicContact CG-CB 4.06Å; L447-P479 HydrophobicContact CG-CG 3.98Å; L447-L495 HydrophobicContact CD2-CD2 4.23Å
448H95.7Very high93.4Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-64.5-42.1173.2-71.783.6000111.4E444 T445 R452 A471 Q477 P479E444-H448 HydrophobicContact CB-CB 4.03Å; E444-H448 HydrophobicContact CG-CB 4.44Å; T445-H448 PolarHBondContact N-ND1 3.44Å; T445-H448 WeakPolarHBondContact O-CA 3.44Å; T445-H448 WeakPolarHBondContact O-CB 3.34Å; T445-H448 PolarHBondContact O-N 3.04Å; T445-H448 PolarHBondContact OG1-ND1 3.35Å; H448-R452 VanDerWaalsContact O-CB 3.27Å; H448-R452 WeakPolarHBondContact O-CB 3.16Å; H448-R452 PolarHBondContact O-N 3.49Å; H448-A471 PolarHBondContact CE1-O 3.15Å; H448-Q477 PolarHBondContact NE2-O 3.48Å; H448-P479 WeakPolarHBondContact NE2-CD 3.5Å
449L94.8Very high93.5Very high11 Ų1137.1 Ų37.16%0.05819%0.192CC..Hα-helixtrans-69.9-41.3-179.9-62.8179.8000112.2L411 H415 F419 T445 A446 R452 N453L411-L449 HydrophobicContact CD2-CD1 3.86Å; H415-L449 HydrophobicContact CB-CD1 3.63Å; F419-L449 HydrophobicContact CB-CB 4.29Å; F419-L449 HydrophobicContact CD2-CB 4.34Å; T445-L449 PolarHBondContact O-N 3.34Å; T445-L449 VanDerWaalsContact O-N 3.16Å; A446-L449 PolarHBondContact O-N 2.97Å; L449-R452 PolarHBondContact O-N 2.94Å; L449-N453 PolarHBondContact O-N 3.41Å
450A95.9Very high93.6Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-60-47.6172.800000111.6A418 A446 N453 R454 Q455 V458 A459 L462A418-A450 HydrophobicContact CB-CB 4.5Å; A446-A450 WeakPolarHBondContact O-CB 3.35Å; A446-A450 PolarHBondContact O-N 3.48Å; A450-N453 CarbonylContact O-C 3.58Å; A450-N453 PolarHBondContact O-N 2.93Å; A450-R454 PolarHBondContact O-N 3.26Å; A450-R454 VanDerWaalsContact O-N 3.12Å; A450-Q455 HydrophobicContact CB-CB 4.29Å; A450-Q455 PolarHBondContact O-N 2.88Å; A450-V458 HydrophobicContact CB-CB 4.3Å; A450-V458 HydrophobicContact CB-CG1 3.69Å; A450-A459 HydrophobicContact CB-CB 4.41Å; A450-L462 HydrophobicContact CB-CD1 3.94Å
451V95.6Very high93.6Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-63.5-43.7177.1169.60000111.5L447 N453 R454 A459 P479 V482 A483 L491 L495L447-V451 HydrophobicContact CD1-CG2 4.16Å; L447-V451 WeakPolarHBondContact O-CB 3.47Å; L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 2.95Å; V451-N453 PolarHBondContact O-N 2.92Å; V451-R454 PolarHBondContact O-N 2.97Å; V451-R454 VanDerWaalsContact O-N 3.08Å; V451-A459 HydrophobicContact CG2-CB 4.47Å; V451-P479 HydrophobicContact CG2-CB 4.37Å; V451-V482 HydrophobicContact CG1-CB 3.98Å; V451-V482 HydrophobicContact CG1-CG1 3.93Å; V451-A483 HydrophobicContact CG1-CB 3.8Å; V451-L491 HydrophobicContact CB-CD1 4.38Å; V451-L491 HydrophobicContact CG1-CD1 4.26Å; V451-L491 HydrophobicContact CG2-CD1 4.38Å; V451-L491 HydrophobicContact CG2-CD2 4.2Å; V451-L495 HydrophobicContact CG2-CD1 4.2Å
452R94.1Very high94Very high93 Ų9333.5 Ų33.535%0.35117%0.167SC..Hα-helixtrans-59.6-43178.1-178.3173.1-73.8149.34.1112.1E444 H448 L449 R454 V482E444-R452 IonicContact OE1-CZ 3.86Å; E444-R452 VanDerWaalsContact OE1-CZ 3.27Å; E444-R452 IonicContact OE1-NH1 3.57Å; E444-R452 PolarHBondContact OE1-NH1 3.11Å; E444-R452 IonicContact OE1-NH2 2.97Å; E444-R452 PolarHBondContact OE1-NH2 3.49Å; E444-R452 IonicContact OE2-CZ 2.91Å; E444-R452 IonicContact OE2-NH1 3.52Å; E444-R452 PolarHBondContact OE2-NH1 3.48Å; E444-R452 IonicContact OE2-NH2 2.66Å; H448-R452 VanDerWaalsContact O-CB 3.27Å; H448-R452 WeakPolarHBondContact O-CB 3.16Å; H448-R452 PolarHBondContact O-N 3.49Å; L449-R452 PolarHBondContact O-N 2.94Å; R452-R454 VanDerWaalsContact C-N 3.28Å; R452-R454 PolarHBondContact O-N 3.18Å; R452-V482 HydrophobicContact CB-CG1 4.05Å
453N92.9Very high94.2Very high59 Ų5931.4 Ų31.432%0.31616%0.16SC..THydrogen-bonded Turntrans-90.821.3176.5-156.439.3000113.8F419 L449 A450 V451 Q455F419-N453 HydrophobicContact CD2-CB 3.99Å; F419-N453 HydrophobicContact CE2-CB 3.92Å; F419-N453 HydrophobicContact CZ-CB 4.4Å; F419-N453 PolarHBondContact O-ND2 3.12Å; L449-N453 PolarHBondContact O-N 3.41Å; A450-N453 CarbonylContact O-C 3.58Å; A450-N453 PolarHBondContact O-N 2.93Å; V451-N453 PolarHBondContact O-N 2.92Å; N453-Q455 HydrophobicContact CB-CG 4.24Å; N453-Q455 PolarHBondContact ND2-NE2 2.89Å; N453-Q455 WeakPolarHBondContact O-CG 3.46Å; N453-Q455 PolarHBondContact O-N 3.11Å; N453-Q455 VanDerWaalsContact O-N 3.15Å; N453-Q455 PolarHBondContact O-NE2 3.05Å
454R94.2Very high94.4Very high100 Ų10037.7 Ų37.738%0.37718%0.176SC..THydrogen-bonded Turntrans58.524173.2-57.2-176.3165.4165.1-4.8115.8A450 V451 R452 V456 T486 T488 N1001A450-R454 PolarHBondContact O-N 3.26Å; A450-R454 VanDerWaalsContact O-N 3.12Å; V451-R454 PolarHBondContact O-N 2.97Å; V451-R454 VanDerWaalsContact O-N 3.08Å; R452-R454 VanDerWaalsContact C-N 3.28Å; R452-R454 PolarHBondContact O-N 3.18Å; R454-V456 PolarHBondContact O-N 3.49Å; R454-T486 PolarHBondContact NH2-O 3.44Å; R454-T488 HydrophobicContact CB-CG2 4.07Å; R454-T488 HydrophobicContact CG-CG2 3.67Å; R454-N1001 VanDerWaalsContact CZ-OD1 3.26Å; R454-N1001 PolarHBondContact NH1-OD1 2.98Å; R454-N1001 PolarHBondContact NH2-OD1 3.32Å
455Q93.4Very high94.3Very high53 Ų5340 Ų4025%0.24819%0.187CC..  trans-81.879.9-173.7-58.5-60.8-34.100112.2G421 A450 N453 V458 A459G421-Q455 VanDerWaalsContact CA-CD 3.49Å; A450-Q455 HydrophobicContact CB-CB 4.29Å; A450-Q455 PolarHBondContact O-N 2.88Å; N453-Q455 HydrophobicContact CB-CG 4.24Å; N453-Q455 PolarHBondContact ND2-NE2 2.89Å; N453-Q455 WeakPolarHBondContact O-CG 3.46Å; N453-Q455 PolarHBondContact O-N 3.11Å; N453-Q455 VanDerWaalsContact O-N 3.15Å; N453-Q455 PolarHBondContact O-NE2 3.05Å; Q455-V458 HydrophobicContact CB-CB 3.81Å; Q455-V458 HydrophobicContact CB-CG2 4.11Å; Q455-V458 PolarHBondContact O-N 3.43Å; Q455-A459 PolarHBondContact O-N 3.14Å
456V92.7Very high94.1Very high46 Ų4641.9 Ų41.928%0.27921%0.207SC..Hα-helixtrans-53.6-58.9-176.2-169.80000112.5R454 V458 A459 E460 E490 L491R454-V456 PolarHBondContact O-N 3.49Å; V456-V458 VanDerWaalsContact C-N 3.25Å; V456-V458 PolarHBondContact O-N 2.83Å; V456-A459 WeakPolarHBondContact O-CB 3.28Å; V456-A459 PolarHBondContact O-N 3.32Å; V456-E460 HydrophobicContact CG1-CG 4.49Å; V456-E460 WeakPolarHBondContact O-CG 3.4Å; V456-E460 PolarHBondContact O-N 2.83Å; V456-E490 HydrophobicContact CG1-CB 4.36Å; V456-E490 HydrophobicContact CG2-CB 4.28Å; V456-L491 HydrophobicContact CB-CD2 4.5Å; V456-L491 HydrophobicContact CG2-CD2 4.49Å; V456-L491 HydrophobicContact CG2-CG 4.22Å
457S93.7Very high94Very high62 Ų6242.1 Ų42.143%0.43421%0.209SC..Hα-helixtrans-60.7-32.7-177.5177.70000113.3T461S457-T461 VanDerWaalsContact O-CB 3.29Å; S457-T461 WeakPolarHBondContact O-CB 3.39Å; S457-T461 PolarHBondContact O-N 2.9Å; S457-T461 PolarHBondContact O-OG1 3.42Å
458V94.9Very high93.9Very high2 Ų244.8 Ų44.81%0.01223%0.228CC..Hα-helixtrans-70.9-42.7173.6171.10000111A418 P423 V426 A450 Q455 V456 T461 L462A418-V458 HydrophobicContact CB-CG1 3.96Å; P423-V458 HydrophobicContact CB-CG2 4.35Å; V426-V458 HydrophobicContact CG2-CG1 4.11Å; A450-V458 HydrophobicContact CB-CB 4.3Å; A450-V458 HydrophobicContact CB-CG1 3.69Å; Q455-V458 HydrophobicContact CB-CB 3.81Å; Q455-V458 HydrophobicContact CB-CG2 4.11Å; Q455-V458 PolarHBondContact O-N 3.43Å; V456-V458 VanDerWaalsContact C-N 3.25Å; V456-V458 PolarHBondContact O-N 2.83Å; V458-T461 PolarHBondContact O-N 3.49Å; V458-L462 HydrophobicContact CG1-CD1 3.76Å; V458-L462 HydrophobicContact CG1-CG 4.24Å; V458-L462 WeakPolarHBondContact O-CB 3.46Å; V458-L462 VanDerWaalsContact O-CG 3.23Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 3.38Å
459A94.7Very high93.8Very high0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-62.4-44.8176.600000111.4L447 A450 V451 Q455 V456 L462 I463 L491L447-A459 HydrophobicContact CD1-CB 3.77Å; A450-A459 HydrophobicContact CB-CB 4.41Å; V451-A459 HydrophobicContact CG2-CB 4.47Å; Q455-A459 PolarHBondContact O-N 3.14Å; V456-A459 WeakPolarHBondContact O-CB 3.28Å; V456-A459 PolarHBondContact O-N 3.32Å; A459-L462 PolarHBondContact O-N 3.03Å; A459-I463 WeakPolarHBondContact O-CB 3.33Å; A459-I463 WeakPolarHBondContact O-CD1 3.44Å; A459-I463 WeakPolarHBondContact O-CG1 3.37Å; A459-I463 PolarHBondContact O-N 2.87Å; A459-L491 HydrophobicContact CB-CD2 3.47Å; A459-L491 VanDerWaalsContact CB-CD2 3.47Å
460E93.6Very high93.8Very high95 Ų9547.6 Ų47.644%0.44424%0.244SC..Hα-helixtrans-57.1-48.7171.8-68175.7136.900111.5V456 L462 I463 Y464 V494V456-E460 HydrophobicContact CG1-CG 4.49Å; V456-E460 WeakPolarHBondContact O-CG 3.4Å; V456-E460 PolarHBondContact O-N 2.83Å; E460-L462 PolarHBondContact O-N 3.48Å; E460-I463 PolarHBondContact O-N 3.44Å; E460-Y464 VanDerWaalsContact O-CB 3.31Å; E460-Y464 WeakPolarHBondContact O-CB 3.49Å; E460-Y464 PolarHBondContact O-N 3.14Å; E460-V494 HydrophobicContact CG-CG1 3.96Å; E460-V494 HydrophobicContact CG-CG2 3.94Å
461T93.1Very high93.6Very high26 Ų2648.4 Ų48.416%0.1625%0.25CC..Hα-helixtrans-60-44.2178.1-61.10000111.6V426 S457 V458 H465V426-T461 HydrophobicContact CG1-CG2 4.06Å; S457-T461 VanDerWaalsContact O-CB 3.29Å; S457-T461 WeakPolarHBondContact O-CB 3.39Å; S457-T461 PolarHBondContact O-N 2.9Å; S457-T461 PolarHBondContact O-OG1 3.42Å; V458-T461 PolarHBondContact O-N 3.49Å; T461-H465 PolarHBondContact O-N 3.36Å; T461-H465 VanDerWaalsContact O-N 3.15Å; T461-H465 PolarHBondContact O-ND1 2.91Å
462L95.6Very high93.5Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-64.8-44.3177.9-74.1168.1000111.6L414 A418 V426 I430 V436 A446 L447 A450 V458 A459 E460 H465 G466 A467L414-L462 HydrophobicContact CD1-CD2 4.42Å; L414-L462 HydrophobicContact CD2-CD2 4.4Å; A418-L462 HydrophobicContact CB-CD1 4.07Å; V426-L462 HydrophobicContact CG1-CD2 4.01Å; V426-L462 HydrophobicContact CG1-CG 4.22Å; I430-L462 HydrophobicContact CD1-CD2 4.13Å; V436-L462 HydrophobicContact CG1-CD2 3.96Å; A446-L462 HydrophobicContact CB-CD1 3.97Å; A446-L462 HydrophobicContact CB-CD2 3.93Å; L447-L462 HydrophobicContact CB-CD1 4.5Å; A450-L462 HydrophobicContact CB-CD1 3.94Å; V458-L462 HydrophobicContact CG1-CD1 3.76Å; V458-L462 HydrophobicContact CG1-CG 4.24Å; V458-L462 WeakPolarHBondContact O-CB 3.46Å; V458-L462 VanDerWaalsContact O-CG 3.23Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 3.38Å; A459-L462 PolarHBondContact O-N 3.03Å; E460-L462 PolarHBondContact O-N 3.48Å; L462-H465 CarbonylContact O-C 3.54Å; L462-H465 PolarHBondContact O-N 2.86Å; L462-G466 PolarHBondContact O-N 2.86Å; L462-A467 VanDerWaalsContact C-CB 3.5Å; L462-A467 HydrophobicContact CB-CB 3.95Å; L462-A467 WeakPolarHBondContact O-CB 3.47Å; L462-A467 PolarHBondContact O-N 3.3Å
463I94Very high93.4Very high24 Ų2447.9 Ų47.912%0.12325%0.252CS..Hα-helixtrans-66.8-42.7179.4-65.4163.2000110.9L447 A459 E460 H465 G466 V469 V494 L495 C498L447-I463 HydrophobicContact CD1-CD1 4.01Å; L447-I463 HydrophobicContact CD1-CG1 3.93Å; L447-I463 HydrophobicContact CD2-CD1 4.3Å; L447-I463 HydrophobicContact CD2-CG1 3.87Å; A459-I463 WeakPolarHBondContact O-CB 3.33Å; A459-I463 WeakPolarHBondContact O-CD1 3.44Å; A459-I463 WeakPolarHBondContact O-CG1 3.37Å; A459-I463 PolarHBondContact O-N 2.87Å; E460-I463 PolarHBondContact O-N 3.44Å; I463-H465 PolarHBondContact O-N 3.1Å; I463-G466 PolarHBondContact O-N 3.49Å; I463-V469 HydrophobicContact CG1-CG2 4.24Å; I463-V469 HydrophobicContact CG2-CG2 4Å; I463-V494 HydrophobicContact CD1-CG1 3.81Å; I463-L495 HydrophobicContact CD1-CD2 3.91Å; I463-C498 HydrophobicContact CG2-CB 3.81Å
464Y91.8Very high93.1Very high197 Ų19752.6 Ų52.677%0.77327%0.266SS*.Hα-helixtrans-57.5-36.7174.4-178.5-91.5000112.3E460 G466E460-Y464 VanDerWaalsContact O-CB 3.31Å; E460-Y464 WeakPolarHBondContact O-CB 3.49Å; E460-Y464 PolarHBondContact O-N 3.14Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 3.14Å
465H91.4Very high92.7Very high65 Ų6551 Ų5130%0.30126%0.264SS..THydrogen-bonded Turntrans-89.316.6175-63.495.7000114.2I430 V436 T461 L462 I463I430-H465 HydrophobicContact CD1-CB 4.06Å; I430-H465 HydrophobicContact CG2-CB 3.85Å; V436-H465 HydrophobicContact CG2-CB 4.47Å; T461-H465 PolarHBondContact O-N 3.36Å; T461-H465 VanDerWaalsContact O-N 3.15Å; T461-H465 PolarHBondContact O-ND1 2.91Å; L462-H465 CarbonylContact O-C 3.54Å; L462-H465 PolarHBondContact O-N 2.86Å; I463-H465 PolarHBondContact O-N 3.1Å
466G91.3Very high92.5Very high45 Ų4552.4 Ų52.446%0.46427%0.271SS..THydrogen-bonded Turntrans91.225.5168.600000116.3N437 L462 I463 Y464N437-G466 PolarHBondContact ND2-O 2.99Å; L462-G466 PolarHBondContact O-N 2.86Å; I463-G466 PolarHBondContact O-N 3.49Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 3.14Å
467A94.7Very high92.5Very high7 Ų752.9 Ų52.96%0.05827%0.27CS..  trans-60.9135.4168.800000111.6V436 L447 L462 V469V436-A467 HydrophobicContact CG1-CB 3.67Å; L447-A467 HydrophobicContact CB-CB 4.15Å; L447-A467 HydrophobicContact CD2-CB 3.96Å; L462-A467 VanDerWaalsContact C-CB 3.5Å; L462-A467 HydrophobicContact CB-CB 3.95Å; L462-A467 WeakPolarHBondContact O-CB 3.47Å; L462-A467 PolarHBondContact O-N 3.3Å; A467-V469 PolarHBondContact O-N 3.46Å
468S93.4Very high92.6Very high56 Ų5650 Ų5039%0.39225%0.25SS..  trans-72.896.2177.4-177.50000110.1N437 N470 A471N437-S468 VanDerWaalsContact OD1-CB 3.28Å; N437-S468 WeakPolarHBondContact OD1-CB 3.43Å; N437-S468 PolarHBondContact OD1-N 2.96Å; S468-N470 PolarHBondContact O-N 3.37Å; S468-A471 WeakPolarHBondContact O-CB 3.46Å; S468-A471 PolarHBondContact O-N 3.3Å; S468-A471 PolarHBondContact OG-N 2.99Å
469V94Very high92.6Very high15 Ų1549.9 Ų49.99%0.09125%0.25CC..THydrogen-bonded Turntrans-50.7-26.6176.7-175.90000112.8I463 A467 P479 L495 C498 A500I463-V469 HydrophobicContact CG1-CG2 4.24Å; I463-V469 HydrophobicContact CG2-CG2 4Å; A467-V469 PolarHBondContact O-N 3.46Å; V469-P479 WeakPolarHBondContact O-CD 3.23Å; V469-L495 HydrophobicContact CG1-CD2 3.88Å; V469-C498 HydrophobicContact CG2-CB 4.17Å; V469-A500 HydrophobicContact CG1-CB 3.55Å
470N94.4Very high92.6Very high55 Ų5549.9 Ų49.929%0.29425%0.25SC..THydrogen-bonded Turntrans-113.621.6-178.5-65.5-62.2000113.4S468 K499 N501 L504S468-N470 PolarHBondContact O-N 3.37Å; N470-K499 PolarHBondContact ND2-O 3.5Å; N470-N501 PolarHBondContact OD1-N 3.29Å; N470-L504 HydrophobicContact CB-CD1 3.87Å
471A93.2Very high92.6Very high16 Ų1645.4 Ų45.413%0.13223%0.229CC..  trans-57.3151.7170.800000111.6T445 H448 S468 T478 P479T445-A471 HydrophobicContact CG2-CB 4.01Å; H448-A471 PolarHBondContact CE1-O 3.15Å; S468-A471 WeakPolarHBondContact O-CB 3.46Å; S468-A471 PolarHBondContact O-N 3.3Å; S468-A471 PolarHBondContact OG-N 2.99Å; A471-T478 VanDerWaalsContact O-CA 3.29Å; A471-T478 WeakPolarHBondContact O-CA 3.13Å; A471-T478 WeakPolarHBondContact O-CB 3.27Å; A471-T478 WeakPolarHBondContact O-CG2 3.36Å; A471-P479 WeakPolarHBondContact O-CD 3.32Å
472K93Very high92.6Very high72 Ų7244.4 Ų44.431%0.31322%0.222SC..  trans-116.8125.3-179.2-80.1-168.6157.2-167.20112.2E476 Q477 T478 P505K472-E476 HydrophobicContact CD-CB 3.9Å; K472-E476 HydrophobicContact CD-CG 4.2Å; K472-E476 VanDerWaalsContact CE-O 3.3Å; K472-E476 WeakPolarHBondContact CE-O 3.19Å; K472-E476 IonicContact NZ-OE2 3.56Å; K472-E476 PolarHBondContact NZ-OE2 3.26Å; K472-Q477 CarbonylContact C-O 3.55Å; K472-Q477 WeakPolarHBondContact CA-O 3.39Å; K472-T478 HydrophobicContact CG-CG2 4.03Å; K472-P505 PolarHBondContact NZ-O 3.15Å
473A92.2Very high92.6Very high11 Ų1144.4 Ų44.49%0.09122%0.222CC..  trans-76.1179.9167.700000112R442 E444 D475 E476 Q477R442-A473 CarbonylContact O-C 3.47Å; E444-A473 HydrophobicContact CG-CB 3.8Å; A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 3.39Å; A473-E476 WeakPolarHBondContact O-CA 3.47Å; A473-E476 PolarHBondContact O-N 2.94Å; A473-Q477 PolarHBondContact N-O 3.45Å
474R85.3Confident92.5Very high157 Ų15743.3 Ų43.359%0.59222%0.217SC*.THydrogen-bonded Turntrans-51.8-40-174.3-172.2175.3-175.3176.81.1114.3R442 E476R442-R474 WeakPolarHBondContact O-CB 3.44Å; R442-R474 PolarHBondContact O-N 2.85Å; R474-E476 VanDerWaalsContact C-N 3.31Å; R474-E476 PolarHBondContact O-N 2.89Å
475D85.9Confident92.5Very high66 Ų6637.2 Ų37.235%0.35320%0.197SC..THydrogen-bonded Turntrans-97.330.7176.5-62.4-65.9000112.9A473 Q477 R507A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 3.39Å; D475-Q477 PolarHBondContact O-N 3.44Å; D475-R507 HydrophobicContact CB-CB 4.13Å; D475-R507 VanDerWaalsContact O-CB 3.32Å; D475-R507 WeakPolarHBondContact O-CB 3.46Å; D475-R507 PolarHBondContact O-N 3.38Å; D475-R507 WeakPolarHBondContact OD1-CD 3.36Å; D475-R507 IonicContact OD1-CZ 2.62Å; D475-R507 IonicContact OD1-NE 2.75Å; D475-R507 IonicContact OD1-NH1 3.22Å; D475-R507 PolarHBondContact OD1-NH1 3.44Å
476E89.6Confident92.3Very high84 Ų8435.1 Ų35.139%0.39319%0.189SC..SBendtrans56.98.7179.7-61.4-168.2-109.900115.7K472 A473 R474K472-E476 HydrophobicContact CD-CB 3.9Å; K472-E476 HydrophobicContact CD-CG 4.2Å; K472-E476 VanDerWaalsContact CE-O 3.3Å; K472-E476 WeakPolarHBondContact CE-O 3.19Å; K472-E476 IonicContact NZ-OE2 3.56Å; K472-E476 PolarHBondContact NZ-OE2 3.26Å; A473-E476 WeakPolarHBondContact O-CA 3.47Å; A473-E476 PolarHBondContact O-N 2.94Å; R474-E476 VanDerWaalsContact C-N 3.31Å; R474-E476 PolarHBondContact O-N 2.89Å
477Q92.5Very high91.9Very high56 Ų5634.3 Ų34.326%0.26218%0.18SC..  trans-61.1146.9171.3-62.7-174.212.500110.3H448 K472 A473 D475 H481 A506H448-Q477 PolarHBondContact NE2-O 3.48Å; K472-Q477 CarbonylContact C-O 3.55Å; K472-Q477 WeakPolarHBondContact CA-O 3.39Å; A473-Q477 PolarHBondContact N-O 3.45Å; D475-Q477 PolarHBondContact O-N 3.44Å; Q477-H481 HydrophobicContact CB-CB 4.16Å; Q477-A506 HydrophobicContact CG-CB 4.03Å
478T95.3Very high91.5Very high1 Ų134.6 Ų34.61%0.00618%0.182CC..  trans-115.6168.4177.467.70000110.1A471 K472 L480 H481 V482 L504A471-T478 VanDerWaalsContact O-CA 3.29Å; A471-T478 WeakPolarHBondContact O-CA 3.13Å; A471-T478 WeakPolarHBondContact O-CB 3.27Å; A471-T478 WeakPolarHBondContact O-CG2 3.36Å; K472-T478 HydrophobicContact CG-CG2 4.03Å; T478-L480 PolarHBondContact O-N 2.97Å; T478-L480 VanDerWaalsContact O-N 3.12Å; T478-H481 PolarHBondContact N-ND1 3.39Å; T478-H481 WeakPolarHBondContact O-CA 3.19Å; T478-H481 WeakPolarHBondContact O-CB 3.22Å; T478-H481 PolarHBondContact O-N 3.34Å; T478-H481 PolarHBondContact OG1-ND1 3.3Å; T478-V482 PolarHBondContact O-N 2.81Å; T478-L504 HydrophobicContact CG2-CB 4.43Å; T478-L504 HydrophobicContact CG2-CD1 4.02Å
479P95.3Very high91.2Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-52.1-35.8174.3-28.836.9000113.2L447 H448 V451 V469 A471 V482 A483 L495L447-P479 HydrophobicContact CD2-CB 4.17Å; L447-P479 HydrophobicContact CD2-CG 3.91Å; L447-P479 HydrophobicContact CG-CB 4.06Å; L447-P479 HydrophobicContact CG-CG 3.98Å; H448-P479 WeakPolarHBondContact NE2-CD 3.5Å; V451-P479 HydrophobicContact CG2-CB 4.37Å; V469-P479 WeakPolarHBondContact O-CD 3.23Å; A471-P479 WeakPolarHBondContact O-CD 3.32Å; P479-V482 PolarHBondContact O-N 2.96Å; P479-A483 WeakPolarHBondContact O-CB 3.48Å; P479-A483 PolarHBondContact O-N 3.16Å; P479-L495 HydrophobicContact CB-CD1 4.16Å; P479-L495 HydrophobicContact CB-CD2 3.95Å
480L95.2Very high91.1Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-67.8-36.3175.1-176.764.3000112.9T478 A483 C484 I492 L495 L496 A500 P502 A512T478-L480 PolarHBondContact O-N 2.97Å; T478-L480 VanDerWaalsContact O-N 3.12Å; L480-A483 PolarHBondContact O-N 3.22Å; L480-C484 WeakPolarHBondContact O-CB 3.48Å; L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 2.82Å; L480-I492 HydrophobicContact CD1-CG1 4.49Å; L480-I492 HydrophobicContact CD1-CG2 4.23Å; L480-L495 HydrophobicContact CD1-CB 4.39Å; L480-L496 HydrophobicContact CD1-CD2 3.97Å; L480-L496 HydrophobicContact CD1-CG 4.17Å; L480-L496 HydrophobicContact CD2-CD2 3.74Å; L480-A500 HydrophobicContact CB-CB 4.09Å; L480-A500 HydrophobicContact CD2-CB 3.86Å; L480-A500 HydrophobicContact CG-CB 4.4Å; L480-P502 HydrophobicContact CD2-CB 4.1Å; L480-A512 HydrophobicContact CD2-CB 3.86Å; L480-A512 HydrophobicContact CG-CB 3.93Å
481H94.6Very high91Very high1 Ų135.4 Ų35.41%0.00518%0.18CC..Hα-helixtrans-64.5-42.4171.6-68.295.5000111.4Q477 T478 A483 C484 L485 L504 Y510 T511 A512 I515Q477-H481 HydrophobicContact CB-CB 4.16Å; T478-H481 PolarHBondContact N-ND1 3.39Å; T478-H481 WeakPolarHBondContact O-CA 3.19Å; T478-H481 WeakPolarHBondContact O-CB 3.22Å; T478-H481 PolarHBondContact O-N 3.34Å; T478-H481 PolarHBondContact OG1-ND1 3.3Å; H481-A483 VanDerWaalsContact C-N 3.35Å; H481-C484 CarbonylContact O-C 3.48Å; H481-C484 PolarHBondContact O-N 2.78Å; H481-L485 WeakPolarHBondContact O-CG 3.48Å; H481-L485 PolarHBondContact O-N 3.18Å; H481-L504 PolarHBondContact CE1-O 3.47Å; H481-L504 PolarHBondContact NE2-O 3.23Å; H481-Y510 PolarHBondContact NE2-O 2.6Å; H481-T511 WeakPolarHBondContact NE2-CA 3.46Å; H481-A512 PolarHBondContact NE2-N 2.82Å; H481-I515 HydrophobicContact CB-CD1 3.98Å
482V93.1Very high91Very high5 Ų534.7 Ų34.73%0.0317%0.174CC..Hα-helixtrans-64.8-40.1177-1750000110.6V451 R452 T478 P479 L485 T486V451-V482 HydrophobicContact CG1-CB 3.98Å; V451-V482 HydrophobicContact CG1-CG1 3.93Å; R452-V482 HydrophobicContact CB-CG1 4.05Å; T478-V482 PolarHBondContact O-N 2.81Å; P479-V482 PolarHBondContact O-N 2.96Å; V482-L485 CarbonylContact O-C 3.54Å; V482-L485 WeakPolarHBondContact O-CA 3.41Å; V482-L485 WeakPolarHBondContact O-CB 3.22Å; V482-L485 PolarHBondContact O-N 3.46Å; V482-T486 HydrophobicContact CG1-CG2 4.24Å; V482-T486 WeakPolarHBondContact O-CG2 3.3Å; V482-T486 PolarHBondContact O-N 3.39Å; V482-T486 PolarHBondContact O-OG1 2.93Å
483A93.9Very high90.9Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-63.8-41.8174.200000112.1V451 P479 L480 H481 L485 T486 G487 L491 I492 L495V451-A483 HydrophobicContact CG1-CB 3.8Å; P479-A483 WeakPolarHBondContact O-CB 3.48Å; P479-A483 PolarHBondContact O-N 3.16Å; L480-A483 PolarHBondContact O-N 3.22Å; H481-A483 VanDerWaalsContact C-N 3.35Å; A483-L485 PolarHBondContact O-N 3.19Å; A483-T486 WeakPolarHBondContact CA-OG1 3.41Å; A483-T486 PolarHBondContact O-N 3.01Å; A483-T486 PolarHBondContact O-OG1 3.09Å; A483-G487 PolarHBondContact O-N 3.35Å; A483-L491 HydrophobicContact CB-CB 4.42Å; A483-I492 HydrophobicContact CB-CD1 4.35Å; A483-I492 HydrophobicContact CB-CG1 3.58Å; A483-L495 HydrophobicContact CB-CD1 3.79Å
484C92.8Very high90.9Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-66.4-12.6171.5-70.80000113.9L480 H481 I515 R521L480-C484 WeakPolarHBondContact O-CB 3.48Å; L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 2.82Å; H481-C484 CarbonylContact O-C 3.48Å; H481-C484 PolarHBondContact O-N 2.78Å; C484-I515 HydrophobicContact CB-CB 4.26Å; C484-I515 HydrophobicContact CB-CG2 4.01Å; C484-I515 WeakPolarHBondContact O-CG2 3.37Å; C484-R521 VanDerWaalsContact C-NH1 3.34Å; C484-R521 PolarHBondContact O-NH1 2.85Å
485L91.2Very high91.4Very high69 Ų6926.4 Ų26.436%0.36115%0.15SC..Hα-helixtrans-94.1-40.3168.6-71.4169.3000112.4H481 V482 A483 I515 R521H481-L485 WeakPolarHBondContact O-CG 3.48Å; H481-L485 PolarHBondContact O-N 3.18Å; V482-L485 CarbonylContact O-C 3.54Å; V482-L485 WeakPolarHBondContact O-CA 3.41Å; V482-L485 WeakPolarHBondContact O-CB 3.22Å; V482-L485 PolarHBondContact O-N 3.46Å; A483-L485 PolarHBondContact O-N 3.19Å; L485-I515 HydrophobicContact CD1-CD1 4.44Å; L485-I515 HydrophobicContact CD2-CD1 4.4Å; L485-I515 HydrophobicContact CD2-CG2 3.57Å; L485-I515 HydrophobicContact CG-CD1 4.19Å; L485-I515 HydrophobicContact CG-CG2 3.87Å; L485-R521 PolarHBondContact O-NH1 3.28Å; L485-R521 PolarHBondContact O-NH2 3.48Å
486T87.6Confident91.7Very high21 Ų2124.4 Ų24.413%0.12914%0.14CC..Hα-helixtrans-73.3-26.9-179.257.30000114R454 V482 A483 T488R454-T486 PolarHBondContact NH2-O 3.44Å; V482-T486 HydrophobicContact CG1-CG2 4.24Å; V482-T486 WeakPolarHBondContact O-CG2 3.3Å; V482-T486 PolarHBondContact O-N 3.39Å; V482-T486 PolarHBondContact O-OG1 2.93Å; A483-T486 WeakPolarHBondContact CA-OG1 3.41Å; A483-T486 PolarHBondContact O-N 3.01Å; A483-T486 PolarHBondContact O-OG1 3.09Å; T486-T488 PolarHBondContact OG1-OG1 3.45Å
487G83.5Confident91.8Very high28 Ų2824.8 Ų24.829%0.28915%0.151SC..THydrogen-bonded Turntrans83.622.4173.500000115.3A483 P489 R521A483-G487 PolarHBondContact O-N 3.35Å; G487-P489 WeakPolarHBondContact O-CD 3.44Å; G487-R521 VanDerWaalsContact CA-CZ 3.46Å; G487-R521 VanDerWaalsContact N-NH1 3.18Å
488T85.8Confident91.7Very high14 Ų1424.6 Ų24.69%0.08616%0.156CC..  trans-96.9102.1179.544.40000110.6R454 T486 E490 L491 I492R454-T488 HydrophobicContact CB-CG2 4.07Å; R454-T488 HydrophobicContact CG-CG2 3.67Å; T486-T488 PolarHBondContact OG1-OG1 3.45Å; T488-E490 PolarHBondContact O-N 2.74Å; T488-L491 PolarHBondContact O-N 3.28Å; T488-L491 WeakPolarHBondContact OG1-CD1 3.37Å; T488-I492 PolarHBondContact O-N 3.29Å
489P87.1Confident91.4Very high41 Ų4132.9 Ų32.927%0.26619%0.192SC..Hα-helixtrans-64.7-25.6-177.526.7-34.2000112.8G487 I492 A493 L524G487-P489 WeakPolarHBondContact O-CD 3.44Å; P489-I492 PolarHBondContact O-N 3.48Å; P489-A493 WeakPolarHBondContact O-CB 3.43Å; P489-A493 PolarHBondContact O-N 3.3Å; P489-L524 HydrophobicContact CB-CD2 4Å
490E91Very high91.3Very high102 Ų10233.2 Ų33.248%0.47720%0.195SC..Hα-helixtrans-64.4-48.4177.2-53.871.9-157.800110.8V456 T488 I492 A493 V494V456-E490 HydrophobicContact CG1-CB 4.36Å; V456-E490 HydrophobicContact CG2-CB 4.28Å; T488-E490 PolarHBondContact O-N 2.74Å; E490-I492 VanDerWaalsContact C-N 3.27Å; E490-I492 PolarHBondContact O-N 2.71Å; E490-A493 PolarHBondContact O-N 3.47Å; E490-V494 WeakPolarHBondContact O-CB 3.38Å; E490-V494 VanDerWaalsContact O-CG2 3.31Å; E490-V494 WeakPolarHBondContact O-CG2 3.13Å; E490-V494 PolarHBondContact O-N 3.49Å
491L92.8Very high91.3Very high0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-64.7-32.7175.8-77.9172.1000111.8V451 V456 A459 A483 T488 L495V451-L491 HydrophobicContact CB-CD1 4.38Å; V451-L491 HydrophobicContact CG1-CD1 4.26Å; V451-L491 HydrophobicContact CG2-CD1 4.38Å; V451-L491 HydrophobicContact CG2-CD2 4.2Å; V456-L491 HydrophobicContact CB-CD2 4.5Å; V456-L491 HydrophobicContact CG2-CD2 4.49Å; V456-L491 HydrophobicContact CG2-CG 4.22Å; A459-L491 HydrophobicContact CB-CD2 3.47Å; A459-L491 VanDerWaalsContact CB-CD2 3.47Å; A483-L491 HydrophobicContact CB-CB 4.42Å; T488-L491 PolarHBondContact O-N 3.28Å; T488-L491 WeakPolarHBondContact OG1-CD1 3.37Å; L491-L495 VanDerWaalsContact O-CB 3.28Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CD1 3.16Å; L491-L495 WeakPolarHBondContact O-CG 3.37Å; L491-L495 PolarHBondContact O-N 3.39Å
492I92.8Very high91.2Very high0 Ų036.6 Ų36.60%021%0.213CC..Hα-helixtrans-69.3-46.8175.6-67.2174.7000110.2L480 A483 T488 P489 E490 V494 L495 L496 L524L480-I492 HydrophobicContact CD1-CG1 4.49Å; L480-I492 HydrophobicContact CD1-CG2 4.23Å; A483-I492 HydrophobicContact CB-CD1 4.35Å; A483-I492 HydrophobicContact CB-CG1 3.58Å; T488-I492 PolarHBondContact O-N 3.29Å; P489-I492 PolarHBondContact O-N 3.48Å; E490-I492 VanDerWaalsContact C-N 3.27Å; E490-I492 PolarHBondContact O-N 2.71Å; I492-V494 PolarHBondContact O-N 3.23Å; I492-L495 PolarHBondContact O-N 3.24Å; I492-L496 HydrophobicContact CG2-CD1 3.6Å; I492-L496 HydrophobicContact CG2-CG 4.12Å; I492-L496 WeakPolarHBondContact O-CB 3.37Å; I492-L496 VanDerWaalsContact O-CG 3.24Å; I492-L496 WeakPolarHBondContact O-CG 3.33Å; I492-L496 PolarHBondContact O-N 2.8Å; I492-L524 HydrophobicContact CD1-CD1 3.41Å; I492-L524 VanDerWaalsContact CD1-CD1 3.41Å; I492-L524 HydrophobicContact CD1-CD2 3.63Å; I492-L524 HydrophobicContact CD1-CG 4.08Å
493A91.9Very high91.3Very high47 Ų4739.2 Ų39.239%0.38823%0.227SC..Hα-helixtrans-60-43.8175.300000112.1P489 E490 S497P489-A493 WeakPolarHBondContact O-CB 3.43Å; P489-A493 PolarHBondContact O-N 3.3Å; E490-A493 PolarHBondContact O-N 3.47Å; A493-S497 WeakPolarHBondContact O-CB 3.39Å; A493-S497 PolarHBondContact O-N 2.87Å; A493-S497 PolarHBondContact O-OG 3.19Å; A493-S497 VanDerWaalsContact O-OG 3.09Å
494V92.4Very high91.3Very high19 Ų1941.2 Ų41.212%0.11524%0.237CC..Hα-helixtrans-58.5-55.3173.1168.40000110.4E460 I463 E490 I492 L496 S497 C498E460-V494 HydrophobicContact CG-CG1 3.96Å; E460-V494 HydrophobicContact CG-CG2 3.94Å; I463-V494 HydrophobicContact CD1-CG1 3.81Å; E490-V494 WeakPolarHBondContact O-CB 3.38Å; E490-V494 VanDerWaalsContact O-CG2 3.31Å; E490-V494 WeakPolarHBondContact O-CG2 3.13Å; E490-V494 PolarHBondContact O-N 3.49Å; I492-V494 PolarHBondContact O-N 3.23Å; V494-L496 PolarHBondContact O-N 2.87Å; V494-S497 PolarHBondContact O-N 2.77Å; V494-S497 PolarHBondContact O-OG 2.96Å; V494-C498 WeakPolarHBondContact O-CB 3.44Å; V494-C498 PolarHBondContact O-N 2.93Å; V494-C498 PolarHBondContact O-SG 3.48Å; V494-C498 VanDerWaalsContact O-SG 3.33Å
495L94.9Very high91.3Very high0 Ų043.9 Ų43.90%025%0.254CS..Hα-helixtrans-60.9-43.5-178.2-71.6167.6000112.7L447 V451 I463 V469 P479 L480 A483 L491 I492 C498 K499 A500L447-L495 HydrophobicContact CD2-CD2 4.23Å; V451-L495 HydrophobicContact CG2-CD1 4.2Å; I463-L495 HydrophobicContact CD1-CD2 3.91Å; V469-L495 HydrophobicContact CG1-CD2 3.88Å; P479-L495 HydrophobicContact CB-CD1 4.16Å; P479-L495 HydrophobicContact CB-CD2 3.95Å; L480-L495 HydrophobicContact CD1-CB 4.39Å; A483-L495 HydrophobicContact CB-CD1 3.79Å; L491-L495 VanDerWaalsContact O-CB 3.28Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CD1 3.16Å; L491-L495 WeakPolarHBondContact O-CG 3.37Å; L491-L495 PolarHBondContact O-N 3.39Å; I492-L495 PolarHBondContact O-N 3.24Å; L495-C498 CarbonylContact O-C 3.57Å; L495-C498 PolarHBondContact O-N 3.08Å; L495-K499 PolarHBondContact O-N 2.93Å; L495-A500 HydrophobicContact CB-CB 4.03Å; L495-A500 WeakPolarHBondContact O-CB 3.45Å; L495-A500 PolarHBondContact O-N 3.1Å
496L93.1Very high91.4Very high25 Ų2541.1 Ų41.113%0.13124%0.241CC..Hα-helixtrans-68.8-41.9178.9-67.1177.4000112L480 I492 V494 C498 K499 A500 Q527 L528 A531L480-L496 HydrophobicContact CD1-CD2 3.97Å; L480-L496 HydrophobicContact CD1-CG 4.17Å; L480-L496 HydrophobicContact CD2-CD2 3.74Å; I492-L496 HydrophobicContact CG2-CD1 3.6Å; I492-L496 HydrophobicContact CG2-CG 4.12Å; I492-L496 WeakPolarHBondContact O-CB 3.37Å; I492-L496 VanDerWaalsContact O-CG 3.24Å; I492-L496 WeakPolarHBondContact O-CG 3.33Å; I492-L496 PolarHBondContact O-N 2.8Å; V494-L496 PolarHBondContact O-N 2.87Å; L496-C498 PolarHBondContact O-N 3.05Å; L496-K499 WeakPolarHBondContact O-CA 3.3Å; L496-K499 PolarHBondContact O-N 2.99Å; L496-A500 HydrophobicContact CD2-CB 4.39Å; L496-Q527 HydrophobicContact CD1-CB 4.06Å; L496-L528 HydrophobicContact CD1-CD2 4.3Å; L496-L528 HydrophobicContact CD2-CD2 4.44Å; L496-A531 HydrophobicContact CB-CB 4.47Å; L496-A531 HydrophobicContact CD1-CB 4.06Å; L496-A531 HydrophobicContact CD2-CB 3.76Å; L496-A531 HydrophobicContact CG-CB 4.32Å
497S91.3Very high91.4Very high91 Ų9146.4 Ų46.464%0.63626%0.259SS*.Hα-helixtrans-62-33.2174.2730000112.1A493 V494 K499A493-S497 WeakPolarHBondContact O-CB 3.39Å; A493-S497 PolarHBondContact O-N 2.87Å; A493-S497 PolarHBondContact O-OG 3.19Å; A493-S497 VanDerWaalsContact O-OG 3.09Å; V494-S497 PolarHBondContact O-N 2.77Å; V494-S497 PolarHBondContact O-OG 2.96Å; S497-K499 PolarHBondContact O-N 3.15Å
498C90.6Very high91.6Very high52 Ų5249.2 Ų49.235%0.35127%0.267SS..THydrogen-bonded Turntrans-83.115.9171.7-61.40000114.3I463 V469 V494 L495 L496I463-C498 HydrophobicContact CG2-CB 3.81Å; V469-C498 HydrophobicContact CG2-CB 4.17Å; V494-C498 WeakPolarHBondContact O-CB 3.44Å; V494-C498 PolarHBondContact O-N 2.93Å; V494-C498 PolarHBondContact O-SG 3.48Å; V494-C498 VanDerWaalsContact O-SG 3.33Å; L495-C498 CarbonylContact O-C 3.57Å; L495-C498 PolarHBondContact O-N 3.08Å; L496-C498 PolarHBondContact O-N 3.05Å
499K89Confident91.8Very high176 Ų17649.1 Ų49.177%0.76527%0.27SS*.THydrogen-bonded Turntrans64.540.8173.9-51.9177.6-176.3175.40114.7N470 L495 L496 S497N470-K499 PolarHBondContact ND2-O 3.5Å; L495-K499 PolarHBondContact O-N 2.93Å; L496-K499 WeakPolarHBondContact O-CA 3.3Å; L496-K499 PolarHBondContact O-N 2.99Å; S497-K499 PolarHBondContact O-N 3.15Å
500A93.9Very high92Very high7 Ų749.2 Ų49.26%0.05827%0.265CS..  trans-55.9137.7157.800000110.1V469 L480 L495 L496 P502V469-A500 HydrophobicContact CG1-CB 3.55Å; L480-A500 HydrophobicContact CB-CB 4.09Å; L480-A500 HydrophobicContact CD2-CB 3.86Å; L480-A500 HydrophobicContact CG-CB 4.4Å; L495-A500 HydrophobicContact CB-CB 4.03Å; L495-A500 WeakPolarHBondContact O-CB 3.45Å; L495-A500 PolarHBondContact O-N 3.1Å; L496-A500 HydrophobicContact CD2-CB 4.39Å; A500-P502 WeakPolarHBondContact O-CD 3.29Å
501N93.3Very high92.2Very high67 Ų6744.7 Ų44.736%0.35824%0.244SC..  trans-93.2109.9178.9179-0.5000109.7N470 N503 L504N470-N501 PolarHBondContact OD1-N 3.29Å; N501-N503 PolarHBondContact O-N 3.03Å; N501-N503 WeakPolarHBondContact OD1-CB 3.44Å; N501-N503 PolarHBondContact OD1-N 3.46Å; N501-L504 HydrophobicContact CB-CD1 4.06Å; N501-L504 HydrophobicContact CB-CG 3.98Å; N501-L504 PolarHBondContact O-N 3.39Å
502P93.6Very high92.3Very high4 Ų444.8 Ų44.83%0.02625%0.245CC..THydrogen-bonded Turntrans-68.5-14.5-178.229.5-36000113.8L480 A500 A512 L528 A533L480-P502 HydrophobicContact CD2-CB 4.1Å; A500-P502 WeakPolarHBondContact O-CD 3.29Å; P502-A512 HydrophobicContact CB-CB 4.29Å; P502-A512 PolarHBondContact O-N 2.88Å; P502-L528 HydrophobicContact CB-CD2 4.19Å; P502-A533 HydrophobicContact CB-CB 3.93Å; P502-A533 HydrophobicContact CG-CB 4.09Å
503N94.2Very high92.3Very high60 Ų6044.8 Ų44.832%0.32125%0.245SC..THydrogen-bonded Turntrans-96.42.1-174-60.3-46.3000114.3N501 P505 G532 A533 D534N501-N503 PolarHBondContact O-N 3.03Å; N501-N503 WeakPolarHBondContact OD1-CB 3.44Å; N501-N503 PolarHBondContact OD1-N 3.46Å; N503-P505 WeakPolarHBondContact O-CD 3.29Å; N503-G532 PolarHBondContact ND2-O 3.25Å; N503-A533 WeakPolarHBondContact OD1-CA 3.47Å; N503-D534 PolarHBondContact OD1-N 2.84Å
504L94.1Very high92.4Very high42 Ų4242.7 Ų42.722%0.2223%0.227CC..  trans-67131.1169.7-68.6173.5000109.1N470 T478 H481 N501N470-L504 HydrophobicContact CB-CD1 3.87Å; T478-L504 HydrophobicContact CG2-CB 4.43Å; T478-L504 HydrophobicContact CG2-CD1 4.02Å; H481-L504 PolarHBondContact CE1-O 3.47Å; H481-L504 PolarHBondContact NE2-O 3.23Å; N501-L504 HydrophobicContact CB-CD1 4.06Å; N501-L504 HydrophobicContact CB-CG 3.98Å; N501-L504 PolarHBondContact O-N 3.39Å
505P93.7Very high92.5Very high56 Ų5642.3 Ų42.336%0.36422%0.224SC..  trans-84.9140.1171.532-32.6000111.2K472 N503 Y510K472-P505 PolarHBondContact NZ-O 3.15Å; N503-P505 WeakPolarHBondContact O-CD 3.29Å; P505-Y510 CarbonylContact C-O 3.44Å; P505-Y510 WeakPolarHBondContact CA-O 3.47Å
506A92.2Very high92.4Very high11 Ų1142.3 Ų42.39%0.09122%0.224CC..  trans-73174.4154.500000110.8Q477 D508 G509 Y510Q477-A506 HydrophobicContact CG-CB 4.03Å; A506-D508 PolarHBondContact O-N 3.19Å; A506-G509 PolarHBondContact O-N 2.84Å; A506-Y510 PolarHBondContact N-O 3.09Å
507R88.3Confident92.4Very high132 Ų13241.1 Ų41.150%0.49822%0.218SC..THydrogen-bonded Turntrans-52.6-31.4-168.6-175.9175.4179.2-169.9-4.1114.8D475 K540D475-R507 HydrophobicContact CB-CB 4.13Å; D475-R507 VanDerWaalsContact O-CB 3.32Å; D475-R507 WeakPolarHBondContact O-CB 3.46Å; D475-R507 PolarHBondContact O-N 3.38Å; D475-R507 WeakPolarHBondContact OD1-CD 3.36Å; D475-R507 IonicContact OD1-CZ 2.62Å; D475-R507 IonicContact OD1-NE 2.75Å; D475-R507 IonicContact OD1-NH1 3.22Å; D475-R507 PolarHBondContact OD1-NH1 3.44Å; R507-K540 WeakPolarHBondContact O-CE 3.23Å; R507-K540 PolarHBondContact O-NZ 3.41Å
508D86.7Confident92.4Very high87 Ų8739.4 Ų39.447%0.46520%0.199SC..THydrogen-bonded Turntrans-97.915.3179.8-63.6-32.5000114.6A506 Y510 K540A506-D508 PolarHBondContact O-N 3.19Å; D508-Y510 HydrophobicContact CB-CD2 3.88Å; D508-Y510 HydrophobicContact CB-CE2 4.26Å; D508-Y510 PolarHBondContact O-N 2.96Å; D508-K540 PolarHBondContact O-N 3.1Å
509G90.1Very high92.5Very high13 Ų1340 Ų4013%0.13420%0.197CC..SBendtrans76.15.2-177.300000114.2A506A506-G509 PolarHBondContact O-N 2.84Å
510Y93.1Very high92.5Very high43 Ų4332.5 Ų32.517%0.16917%0.17CC..  trans-66.6133169.9-79.5-105.7000109.6H481 P505 A506 D508 H514 I515 K518 T539 L548H481-Y510 PolarHBondContact NE2-O 2.6Å; P505-Y510 CarbonylContact C-O 3.44Å; P505-Y510 WeakPolarHBondContact CA-O 3.47Å; A506-Y510 PolarHBondContact N-O 3.09Å; D508-Y510 HydrophobicContact CB-CD2 3.88Å; D508-Y510 HydrophobicContact CB-CE2 4.26Å; D508-Y510 PolarHBondContact O-N 2.96Å; Y510-H514 HydrophobicContact CD1-CB 3.7Å; Y510-H514 HydrophobicContact CE1-CB 4.44Å; Y510-H514 HydrophobicContact CG-CB 4.24Å; Y510-I515 HydrophobicContact CD1-CG1 4.35Å; Y510-K518 HydrophobicContact CE1-CD 3.97Å; Y510-T539 HydrophobicContact CD1-CG2 4.35Å; Y510-T539 HydrophobicContact CD2-CG2 3.78Å; Y510-T539 HydrophobicContact CE1-CG2 4.38Å; Y510-T539 HydrophobicContact CE2-CG2 3.83Å; Y510-T539 HydrophobicContact CG-CG2 4.06Å; Y510-L548 HydrophobicContact CD1-CD1 4.16Å; Y510-L548 HydrophobicContact CE1-CD1 3.58Å; Y510-L548 HydrophobicContact CE1-CD2 4.45Å
511T95Very high92.3Very high7 Ų733.8 Ų33.84%0.04317%0.173CC..  trans-104.8174.4171.757.80000109.5H481 L513 H514 I515 A537H481-T511 WeakPolarHBondContact NE2-CA 3.46Å; T511-L513 PolarHBondContact O-N 3.2Å; T511-H514 PolarHBondContact N-ND1 3.01Å; T511-H514 PolarHBondContact O-N 2.98Å; T511-H514 VanDerWaalsContact O-N 3.08Å; T511-H514 PolarHBondContact OG1-N 2.87Å; T511-H514 PolarHBondContact OG1-ND1 2.77Å; T511-I515 PolarHBondContact O-N 3.34Å; T511-A537 HydrophobicContact CG2-CB 4.16Å
512A93.5Very high92.1Very high1 Ų133.7 Ų33.71%0.00817%0.17CC..Hα-helixtrans-54.3-39.2173.900000112.2L480 H481 P502 I515 A516 L528L480-A512 HydrophobicContact CD2-CB 3.86Å; L480-A512 HydrophobicContact CG-CB 3.93Å; H481-A512 PolarHBondContact NE2-N 2.82Å; P502-A512 HydrophobicContact CB-CB 4.29Å; P502-A512 PolarHBondContact O-N 2.88Å; A512-I515 PolarHBondContact O-N 2.9Å; A512-A516 PolarHBondContact O-N 2.74Å; A512-L528 HydrophobicContact CB-CD2 3.97Å
513L94.2Very high91.8Very high1 Ų137.6 Ų37.61%0.00519%0.191CC..Hα-helixtrans-67.9-41.8175.7-176.664.9000112.6T511 I515 A516 C517 L525 L529 A533 L535 A545T511-L513 PolarHBondContact O-N 3.2Å; L513-I515 VanDerWaalsContact C-N 3.31Å; L513-I515 PolarHBondContact O-N 2.88Å; L513-A516 PolarHBondContact O-N 2.84Å; L513-C517 WeakPolarHBondContact O-CB 3.25Å; L513-C517 PolarHBondContact O-N 2.91Å; L513-C517 PolarHBondContact O-SG 2.86Å; L513-L525 HydrophobicContact CD1-CG 4.17Å; L513-L529 HydrophobicContact CD2-CD2 4.31Å; L513-A533 HydrophobicContact CB-CB 4.05Å; L513-A533 HydrophobicContact CD2-CB 4.08Å; L513-L535 HydrophobicContact CD2-CD2 4.23Å; L513-A545 HydrophobicContact CD2-CB 4.3Å; L513-A545 HydrophobicContact CG-CB 4.25Å
514H94.1Very high91.5Very high2 Ų234.7 Ų34.71%0.00918%0.176CC..Hα-helixtrans-60.6-40.3175.3-74.9124.3000112.1Y510 T511 K518 A537 F543 A545 L548Y510-H514 HydrophobicContact CD1-CB 3.7Å; Y510-H514 HydrophobicContact CE1-CB 4.44Å; Y510-H514 HydrophobicContact CG-CB 4.24Å; T511-H514 PolarHBondContact N-ND1 3.01Å; T511-H514 PolarHBondContact O-N 2.98Å; T511-H514 VanDerWaalsContact O-N 3.08Å; T511-H514 PolarHBondContact OG1-N 2.87Å; T511-H514 PolarHBondContact OG1-ND1 2.77Å; H514-K518 WeakPolarHBondContact O-CB 3.48Å; H514-K518 PolarHBondContact O-N 3.46Å; H514-A537 PolarHBondContact CE1-O 2.96Å; H514-A537 VanDerWaalsContact CE1-O 3.28Å; H514-A537 PolarHBondContact NE2-O 3.03Å; H514-F543 PolarHBondContact NE2-O 2.75Å; H514-A545 PolarHBondContact CD2-N 3.27Å; H514-A545 PolarHBondContact NE2-N 2.9Å; H514-L548 HydrophobicContact CB-CD1 3.78Å
515I93.3Very high91.3Very high12 Ų1232.8 Ų32.86%0.06217%0.165CC..Hα-helixtrans-66-52175.5-62.7-173.2000110.5H481 C484 L485 Y510 T511 A512 L513 C517 K518 E519H481-I515 HydrophobicContact CB-CD1 3.98Å; C484-I515 HydrophobicContact CB-CB 4.26Å; C484-I515 HydrophobicContact CB-CG2 4.01Å; C484-I515 WeakPolarHBondContact O-CG2 3.37Å; L485-I515 HydrophobicContact CD1-CD1 4.44Å; L485-I515 HydrophobicContact CD2-CD1 4.4Å; L485-I515 HydrophobicContact CD2-CG2 3.57Å; L485-I515 HydrophobicContact CG-CD1 4.19Å; L485-I515 HydrophobicContact CG-CG2 3.87Å; Y510-I515 HydrophobicContact CD1-CG1 4.35Å; T511-I515 PolarHBondContact O-N 3.34Å; A512-I515 PolarHBondContact O-N 2.9Å; L513-I515 VanDerWaalsContact C-N 3.31Å; L513-I515 PolarHBondContact O-N 2.88Å; I515-C517 PolarHBondContact O-N 2.74Å; I515-K518 PolarHBondContact O-N 2.86Å; I515-E519 HydrophobicContact CG2-CG 4.13Å; I515-E519 WeakPolarHBondContact O-CG 3.21Å; I515-E519 PolarHBondContact O-N 2.9Å
516A93Very high91Very high0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-55.9-37.8178.900000112.5A512 L513 G520 R521 L525 L528A512-A516 PolarHBondContact O-N 2.74Å; L513-A516 PolarHBondContact O-N 2.84Å; A516-G520 PolarHBondContact O-N 3.15Å; A516-R521 PolarHBondContact O-N 3.4Å; A516-L525 HydrophobicContact CB-CD1 4.24Å; A516-L528 HydrophobicContact CB-CD1 3.63Å
517C93Very high90.8Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-74.4-31.8176.7-62.90000113.9L513 I515 A545 H554 V557L513-C517 WeakPolarHBondContact O-CB 3.25Å; L513-C517 PolarHBondContact O-N 2.91Å; L513-C517 PolarHBondContact O-SG 2.86Å; I515-C517 PolarHBondContact O-N 2.74Å; C517-A545 HydrophobicContact CB-CB 4.33Å; C517-H554 PolarHBondContact O-CD2 2.84Å; C517-H554 VanDerWaalsContact O-CD2 3.28Å; C517-V557 HydrophobicContact CB-CG1 3.83Å
518K92Very high91Very high54 Ų5427.8 Ų27.824%0.23515%0.15CC..Hα-helixtrans-69.6-41.7173.9178.5-177.1167-1050111.7Y510 H514 I515 G520 H554Y510-K518 HydrophobicContact CE1-CD 3.97Å; H514-K518 WeakPolarHBondContact O-CB 3.48Å; H514-K518 PolarHBondContact O-N 3.46Å; I515-K518 PolarHBondContact O-N 2.86Å; K518-G520 VanDerWaalsContact C-N 3.33Å; K518-H554 PolarHBondContact O-CD2 3.35Å; K518-H554 PolarHBondContact O-NE2 3.17Å
519E91.7Very high91.2Very high64 Ų6426 Ų2630%0.29914%0.14SC..THydrogen-bonded Turntrans-87.53.7-178-51.7-48.5138.600113.5I515 R521I515-E519 HydrophobicContact CG2-CG 4.13Å; I515-E519 WeakPolarHBondContact O-CG 3.21Å; I515-E519 PolarHBondContact O-N 2.9Å; E519-R521 HydrophobicContact CB-CG 4.32Å
520G90Very high91.2Very high19 Ų1933.7 Ų33.720%0.19617%0.173CC..THydrogen-bonded Turntrans80.813.9170.900000116.3A516 K518 H522 H554A516-G520 PolarHBondContact O-N 3.15Å; K518-G520 VanDerWaalsContact C-N 3.33Å; G520-H522 VanDerWaalsContact C-N 3.32Å; G520-H522 PolarHBondContact O-N 2.78Å; G520-H554 PolarHBondContact N-NE2 3.28Å
521R89.2Confident91Very high34 Ų3433.8 Ų33.813%0.12818%0.182CC..  trans-84.768.3-166.3-61.6-175.1175.6156.8-4.8113.3C484 L485 G487 A516 E519 D523 L524 L525C484-R521 VanDerWaalsContact C-NH1 3.34Å; C484-R521 PolarHBondContact O-NH1 2.85Å; L485-R521 PolarHBondContact O-NH1 3.28Å; L485-R521 PolarHBondContact O-NH2 3.48Å; G487-R521 VanDerWaalsContact CA-CZ 3.46Å; G487-R521 VanDerWaalsContact N-NH1 3.18Å; A516-R521 PolarHBondContact O-N 3.4Å; E519-R521 HydrophobicContact CB-CG 4.32Å; R521-D523 WeakPolarHBondContact CA-OD1 3.46Å; R521-D523 PolarHBondContact O-N 3.42Å; R521-L524 HydrophobicContact CB-CB 4.27Å; R521-L524 HydrophobicContact CB-CD1 3.7Å; R521-L524 HydrophobicContact CB-CG 3.94Å; R521-L524 HydrophobicContact CG-CD1 4.26Å; R521-L524 PolarHBondContact O-N 3.38Å; R521-L525 VanDerWaalsContact O-CD1 3.29Å; R521-L525 WeakPolarHBondContact O-CD1 3.28Å; R521-L525 PolarHBondContact O-N 3.18Å
522H88.5Confident90.8Very high66 Ų6635.5 Ų35.531%0.30620%0.201SC..THydrogen-bonded Turntrans-55.5-24.8178.569.6-53000115.4G520 K556 V557 Q560G520-H522 VanDerWaalsContact C-N 3.32Å; G520-H522 PolarHBondContact O-N 2.78Å; H522-K556 HydrophobicContact CB-CB 4.05Å; H522-K556 WeakPolarHBondContact CD2-CD 3.48Å; H522-K556 WeakPolarHBondContact NE2-CD 3.48Å; H522-K556 PolarHBondContact NE2-NZ 3.46Å; H522-K556 VanDerWaalsContact NE2-NZ 3.15Å; H522-V557 HydrophobicContact CB-CG2 4Å; H522-Q560 VanDerWaalsContact CA-OE1 3.26Å; H522-Q560 VanDerWaalsContact CB-OE1 3.22Å; H522-Q560 PolarHBondContact O-NE2 3.23Å; H522-Q560 PolarHBondContact O-OE1 3.36Å
523D88.1Confident90.8Very high85 Ų8535.9 Ų35.946%0.45520%0.204SC..THydrogen-bonded Turntrans-69.3-38.9172.855-59.9000112.5R521R521-D523 WeakPolarHBondContact CA-OD1 3.46Å; R521-D523 PolarHBondContact O-N 3.42Å
524L88Confident90.6Very high0 Ų039.2 Ų39.20%022%0.222CC..Hα-helixtrans-79.3-20.6-179.7-57.5-179.6000113.3P489 I492 R521 G526 Q527 L528P489-L524 HydrophobicContact CB-CD2 4Å; I492-L524 HydrophobicContact CD1-CD1 3.41Å; I492-L524 VanDerWaalsContact CD1-CD1 3.41Å; I492-L524 HydrophobicContact CD1-CD2 3.63Å; I492-L524 HydrophobicContact CD1-CG 4.08Å; R521-L524 HydrophobicContact CB-CB 4.27Å; R521-L524 HydrophobicContact CB-CD1 3.7Å; R521-L524 HydrophobicContact CB-CG 3.94Å; R521-L524 HydrophobicContact CG-CD1 4.26Å; R521-L524 PolarHBondContact O-N 3.38Å; L524-G526 VanDerWaalsContact C-N 3.29Å; L524-G526 PolarHBondContact O-N 3.31Å; L524-Q527 PolarHBondContact O-N 3.49Å; L524-L528 HydrophobicContact CB-CD1 4.42Å; L524-L528 WeakPolarHBondContact O-CG 3.25Å; L524-L528 PolarHBondContact O-N 3.19Å
525L89.8Confident90.3Very high1 Ų140.7 Ų40.71%0.00523%0.23CC..Hα-helixtrans-58.6-39.6-178-101.271.7000112.3L513 A516 R521 L529 V557 Q560 L561L513-L525 HydrophobicContact CD1-CG 4.17Å; A516-L525 HydrophobicContact CB-CD1 4.24Å; R521-L525 VanDerWaalsContact O-CD1 3.29Å; R521-L525 WeakPolarHBondContact O-CD1 3.28Å; R521-L525 PolarHBondContact O-N 3.18Å; L525-L529 WeakPolarHBondContact O-CB 3.27Å; L525-L529 WeakPolarHBondContact O-CD1 3.43Å; L525-L529 WeakPolarHBondContact O-CG 3.25Å; L525-L529 PolarHBondContact O-N 3.25Å; L525-V557 HydrophobicContact CD1-CG1 4.26Å; L525-V557 HydrophobicContact CD2-CG1 3.86Å; L525-Q560 HydrophobicContact CD2-CB 3.98Å; L525-L561 HydrophobicContact CD2-CD2 3.94Å; L525-L561 HydrophobicContact CD2-CG 3.99Å
526G87Confident90Very high33 Ų3344.1 Ų44.134%0.3425%0.248SC..Hα-helixtrans-58.7-55.4176.600000111.8L524 L528 L529 E530L524-G526 VanDerWaalsContact C-N 3.29Å; L524-G526 PolarHBondContact O-N 3.31Å; G526-L528 VanDerWaalsContact C-N 3.33Å; G526-L528 PolarHBondContact O-N 3.11Å; G526-L529 PolarHBondContact O-N 3.37Å; G526-E530 WeakPolarHBondContact O-CB 3.48Å; G526-E530 WeakPolarHBondContact O-CG 3.39Å; G526-E530 PolarHBondContact O-N 2.85Å
527Q89Confident89.9Confident62 Ų6245 Ų4529%0.2926%0.256SS..Hα-helixtrans-59.4-41.4-179.3-56.9-176.231.100112.6L496 L524 A531L496-Q527 HydrophobicContact CD1-CB 4.06Å; L524-Q527 PolarHBondContact O-N 3.49Å; Q527-A531 VanDerWaalsContact O-CB 3.27Å; Q527-A531 WeakPolarHBondContact O-CB 3.29Å; Q527-A531 PolarHBondContact O-N 3.4Å
528L92.4Very high89.8Confident0 Ų051.6 Ų51.60%028%0.28CS..Hα-helixtrans-68.8-38.7179.3-71.7170.3000112.4L496 P502 A512 A516 L524 G526 A531 G532 A533L496-L528 HydrophobicContact CD1-CD2 4.3Å; L496-L528 HydrophobicContact CD2-CD2 4.44Å; P502-L528 HydrophobicContact CB-CD2 4.19Å; A512-L528 HydrophobicContact CB-CD2 3.97Å; A516-L528 HydrophobicContact CB-CD1 3.63Å; L524-L528 HydrophobicContact CB-CD1 4.42Å; L524-L528 WeakPolarHBondContact O-CG 3.25Å; L524-L528 PolarHBondContact O-N 3.19Å; G526-L528 VanDerWaalsContact C-N 3.33Å; G526-L528 PolarHBondContact O-N 3.11Å; L528-A531 CarbonylContact O-C 3.25Å; L528-A531 PolarHBondContact O-N 3.35Å; L528-G532 PolarHBondContact O-N 2.84Å; L528-A533 HydrophobicContact CB-CB 4.21Å; L528-A533 WeakPolarHBondContact O-CB 3.32Å; L528-A533 PolarHBondContact O-N 3.4Å
529L90.3Very high89.8Confident49 Ų4949.4 Ų49.426%0.25727%0.272SS..Hα-helixtrans-73.7-38.5178-67.8171.2000111.9L513 L525 G526 A531 G532 L535 A564L513-L529 HydrophobicContact CD2-CD2 4.31Å; L525-L529 WeakPolarHBondContact O-CB 3.27Å; L525-L529 WeakPolarHBondContact O-CD1 3.43Å; L525-L529 WeakPolarHBondContact O-CG 3.25Å; L525-L529 PolarHBondContact O-N 3.25Å; G526-L529 PolarHBondContact O-N 3.37Å; L529-A531 VanDerWaalsContact C-N 3.28Å; L529-A531 PolarHBondContact O-N 3Å; L529-G532 PolarHBondContact O-N 3.07Å; L529-L535 HydrophobicContact CD2-CD1 4.09Å; L529-L535 HydrophobicContact CD2-CD2 3.73Å; L529-L535 HydrophobicContact CD2-CG 3.71Å; L529-A564 HydrophobicContact CD1-CB 4.21Å
530E89Confident89.6Confident175 Ų17553.2 Ų53.282%0.81829%0.287SS*.Hα-helixtrans-62.4-35.2171.1-73.2174.1-169.100112G526 G532G526-E530 WeakPolarHBondContact O-CB 3.48Å; G526-E530 WeakPolarHBondContact O-CG 3.39Å; G526-E530 PolarHBondContact O-N 2.85Å; E530-G532 PolarHBondContact O-N 3.15Å
531A89.6Confident89.3Confident44 Ų4456.2 Ų56.236%0.36430%0.295SS..THydrogen-bonded Turntrans-77.24.717100000114.5L496 Q527 L528 L529L496-A531 HydrophobicContact CB-CB 4.47Å; L496-A531 HydrophobicContact CD1-CB 4.06Å; L496-A531 HydrophobicContact CD2-CB 3.76Å; L496-A531 HydrophobicContact CG-CB 4.32Å; Q527-A531 VanDerWaalsContact O-CB 3.27Å; Q527-A531 WeakPolarHBondContact O-CB 3.29Å; Q527-A531 PolarHBondContact O-N 3.4Å; L528-A531 CarbonylContact O-C 3.25Å; L528-A531 PolarHBondContact O-N 3.35Å; L529-A531 VanDerWaalsContact C-N 3.28Å; L529-A531 PolarHBondContact O-N 3Å
532G90.8Very high89.2Confident43 Ų4355.2 Ų55.244%0.44330%0.295SS..THydrogen-bonded Turntrans82.232.6172.900000115.5N503 L528 L529 E530N503-G532 PolarHBondContact ND2-O 3.25Å; L528-G532 PolarHBondContact O-N 2.84Å; L529-G532 PolarHBondContact O-N 3.07Å; E530-G532 PolarHBondContact O-N 3.15Å
533A92.8Very high89.3Confident9 Ų952.5 Ų52.57%0.07428%0.283CS..  trans-65.2132.1170.800000112.4P502 N503 L513 L528 L535P502-A533 HydrophobicContact CB-CB 3.93Å; P502-A533 HydrophobicContact CG-CB 4.09Å; N503-A533 WeakPolarHBondContact OD1-CA 3.47Å; L513-A533 HydrophobicContact CB-CB 4.05Å; L513-A533 HydrophobicContact CD2-CB 4.08Å; L528-A533 HydrophobicContact CB-CB 4.21Å; L528-A533 WeakPolarHBondContact O-CB 3.32Å; L528-A533 PolarHBondContact O-N 3.4Å; A533-L535 PolarHBondContact O-N 2.88Å
534D90.5Very high89.5Confident71 Ų7148.9 Ų48.938%0.3826%0.264SS..  trans-80.3113.4-180-179.121.4000112.1N503 N536 A537N503-D534 PolarHBondContact OD1-N 2.84Å; D534-N536 PolarHBondContact O-N 2.81Å; D534-N536 VanDerWaalsContact OD1-CB 3.31Å; D534-N536 WeakPolarHBondContact OD1-CB 3.43Å; D534-N536 PolarHBondContact OD1-N 3.43Å; D534-N536 PolarHBondContact OD1-ND2 3.4Å; D534-A537 HydrophobicContact CB-CB 4.44Å; D534-A537 WeakPolarHBondContact O-CB 3.3Å; D534-A537 PolarHBondContact O-N 3.34Å; D534-A537 PolarHBondContact OD2-N 2.82Å
535L88.6Confident89.7Confident33 Ų3349 Ų4917%0.17326%0.264CS..THydrogen-bonded Turntrans-60.6-21.4172.6-71.1160.3000113.5L513 L529 A533 L561 A564 Q565L513-L535 HydrophobicContact CD2-CD2 4.23Å; L529-L535 HydrophobicContact CD2-CD1 4.09Å; L529-L535 HydrophobicContact CD2-CD2 3.73Å; L529-L535 HydrophobicContact CD2-CG 3.71Å; A533-L535 PolarHBondContact O-N 2.88Å; L535-L561 HydrophobicContact CD2-CD2 3.41Å; L535-L561 VanDerWaalsContact CD2-CD2 3.41Å; L535-A564 HydrophobicContact CD1-CB 3.93Å; L535-A564 HydrophobicContact CD2-CB 4.49Å; L535-Q565 HydrophobicContact CD1-CB 3.94Å
536N87Confident89.9Confident85 Ų8549 Ų4946%0.45527%0.265SS..THydrogen-bonded Turntrans-98.6-2.2-175.2-52.4-89.8000112.9D534 Q565D534-N536 PolarHBondContact O-N 2.81Å; D534-N536 VanDerWaalsContact OD1-CB 3.31Å; D534-N536 WeakPolarHBondContact OD1-CB 3.43Å; D534-N536 PolarHBondContact OD1-N 3.43Å; D534-N536 PolarHBondContact OD1-ND2 3.4Å; N536-Q565 PolarHBondContact ND2-OE1 2.88Å; N536-Q565 VanDerWaalsContact ND2-OE1 3.12Å; N536-Q565 PolarHBondContact OD1-NE2 2.95Å; N536-Q565 PolarHBondContact OD1-OE1 3.44Å
537A90.6Very high90.2Very high19 Ų1947.5 Ų47.516%0.15725%0.249CC..  trans-54.3144.3172.300000110.2T511 H514 D534 T544T511-A537 HydrophobicContact CG2-CB 4.16Å; H514-A537 PolarHBondContact CE1-O 2.96Å; H514-A537 VanDerWaalsContact CE1-O 3.28Å; H514-A537 PolarHBondContact NE2-O 3.03Å; D534-A537 HydrophobicContact CB-CB 4.44Å; D534-A537 WeakPolarHBondContact O-CB 3.3Å; D534-A537 PolarHBondContact O-N 3.34Å; D534-A537 PolarHBondContact OD2-N 2.82Å; A537-T544 WeakPolarHBondContact O-CA 3.38Å
538R90.9Very high90.4Very high137 Ų13744.7 Ų44.752%0.51724%0.236SC..  trans-123.7135.8177.7-72-179.2166.7143.2-8.7110.9G542 F543 T544 I572R538-G542 WeakPolarHBondContact CD-O 3.37Å; R538-G542 VanDerWaalsContact CG-O 3.28Å; R538-G542 WeakPolarHBondContact CG-O 3.49Å; R538-F543 WeakPolarHBondContact CA-O 3.24Å; R538-T544 HydrophobicContact CG-CG2 3.86Å; R538-I572 PolarHBondContact NE-O 2.88Å; R538-I572 PolarHBondContact NH2-O 3.49Å
539T91.8Very high90.4Very high9 Ų944.7 Ų44.76%0.05524%0.236CC..  trans-65169165.561.60000111.5Y510 K541 G542 F543 L548Y510-T539 HydrophobicContact CD1-CG2 4.35Å; Y510-T539 HydrophobicContact CD2-CG2 3.78Å; Y510-T539 HydrophobicContact CE1-CG2 4.38Å; Y510-T539 HydrophobicContact CE2-CG2 3.83Å; Y510-T539 HydrophobicContact CG-CG2 4.06Å; T539-K541 PolarHBondContact O-N 3.15Å; T539-G542 WeakPolarHBondContact O-CA 3.09Å; T539-G542 PolarHBondContact O-N 3.31Å; T539-F543 PolarHBondContact N-O 3.25Å; T539-F543 PolarHBondContact OG1-N 3.16Å; T539-F543 PolarHBondContact OG1-O 3.06Å; T539-F543 VanDerWaalsContact OG1-O 3.13Å; T539-L548 HydrophobicContact CG2-CD1 4.41Å
540K87.3Confident90.6Very high144 Ų14442.4 Ų42.463%0.62622%0.224SC*.THydrogen-bonded Turntrans-58.7-24.7173.1-79-173.4177.3164.30113.7R507 D508 G542R507-K540 WeakPolarHBondContact O-CE 3.23Å; R507-K540 PolarHBondContact O-NZ 3.41Å; D508-K540 PolarHBondContact O-N 3.1Å; K540-G542 PolarHBondContact O-N 3.21Å
541K84.2Confident90.8Very high82 Ų8234.5 Ų34.536%0.35719%0.187SC..THydrogen-bonded Turntrans-84.617.7172.3-61-168.4177.6-1720113.2T539 F543 Q574T539-K541 PolarHBondContact O-N 3.15Å; K541-F543 WeakPolarHBondContact O-CD1 3.38Å; K541-F543 PolarHBondContact O-N 3.28Å; K541-Q574 VanDerWaalsContact O-CB 3.27Å; K541-Q574 WeakPolarHBondContact O-CB 3.37Å
542G86.1Confident90.9Very high13 Ų1336.8 Ų36.813%0.13419%0.186CC..SBendtrans68.7-11.5-178.800000116.2R538 T539 K540 G573R538-G542 WeakPolarHBondContact CD-O 3.37Å; R538-G542 VanDerWaalsContact CG-O 3.28Å; R538-G542 WeakPolarHBondContact CG-O 3.49Å; T539-G542 WeakPolarHBondContact O-CA 3.09Å; T539-G542 PolarHBondContact O-N 3.31Å; K540-G542 PolarHBondContact O-N 3.21Å; G542-G573 WeakPolarHBondContact O-CA 3.41Å
543F91Very high90.9Very high8 Ų835.6 Ų35.64%0.03517%0.173CC..  trans-67136.1-178-66.7-14.3000112.6H514 R538 T539 K541 H547 L548 L577 I582 W899H514-F543 PolarHBondContact NE2-O 2.75Å; R538-F543 WeakPolarHBondContact CA-O 3.24Å; T539-F543 PolarHBondContact N-O 3.25Å; T539-F543 PolarHBondContact OG1-N 3.16Å; T539-F543 PolarHBondContact OG1-O 3.06Å; T539-F543 VanDerWaalsContact OG1-O 3.13Å; K541-F543 WeakPolarHBondContact O-CD1 3.38Å; K541-F543 PolarHBondContact O-N 3.28Å; F543-H547 HydrophobicContact CB-CB 3.73Å; F543-H547 HydrophobicContact CD1-CB 4.07Å; F543-H547 HydrophobicContact CG-CB 3.91Å; F543-L548 HydrophobicContact CB-CD2 4.24Å; F543-L548 HydrophobicContact CD2-CD2 4Å; F543-L577 HydrophobicContact CE1-CD1 4.34Å; F543-I582 HydrophobicContact CD1-CD1 3.95Å; F543-I582 HydrophobicContact CE1-CD1 3.44Å; F543-I582 VanDerWaalsContact CE1-CD1 3.44Å; F543-I582 HydrophobicContact CE2-CD1 4.14Å; F543-I582 HydrophobicContact CZ-CD1 3.53Å; F543-W899 HydrophobicContact CE2-CZ3 4.08Å; F543-W899 HydrophobicContact CZ-CH2 4.25Å; F543-W899 AromaticContact CZ-CZ3 3.66Å; F543-W899 HydrophobicContact CZ-CZ3 3.66Å
544T92.5Very high91Very high9 Ų936.7 Ų36.76%0.05518%0.177CC..  trans-90.3174.7167.968.30000111.6A537 R538 L546 H547 L548A537-T544 WeakPolarHBondContact O-CA 3.38Å; R538-T544 HydrophobicContact CG-CG2 3.86Å; T544-L546 VanDerWaalsContact C-N 3.25Å; T544-L546 PolarHBondContact O-N 3.12Å; T544-H547 PolarHBondContact N-ND1 3.18Å; T544-H547 WeakPolarHBondContact O-CB 3.35Å; T544-H547 PolarHBondContact O-N 3.34Å; T544-H547 PolarHBondContact OG1-ND1 2.9Å; T544-L548 PolarHBondContact O-N 3.2Å
545A92.4Very high91.1Very high2 Ų236 Ų362%0.01718%0.175CC..Hα-helixtrans-49.1-42174.200000113.9L513 H514 C517 L548 A549 L561L513-A545 HydrophobicContact CD2-CB 4.3Å; L513-A545 HydrophobicContact CG-CB 4.25Å; H514-A545 PolarHBondContact CD2-N 3.27Å; H514-A545 PolarHBondContact NE2-N 2.9Å; C517-A545 HydrophobicContact CB-CB 4.33Å; A545-L548 PolarHBondContact O-N 3.12Å; A545-A549 PolarHBondContact O-N 2.95Å; A545-L561 HydrophobicContact CB-CD1 3.97Å; A545-L561 HydrophobicContact CB-CD2 4.07Å
546L93.5Very high91.3Very high3 Ų341 Ų412%0.01620%0.196CC..Hα-helixtrans-70.4-33.2-179.8-175.159.1000112.6T544 A549 A550 A558 L561 I562 P579 L595T544-L546 VanDerWaalsContact C-N 3.25Å; T544-L546 PolarHBondContact O-N 3.12Å; L546-A549 PolarHBondContact O-N 3.1Å; L546-A550 VanDerWaalsContact O-CB 3.28Å; L546-A550 WeakPolarHBondContact O-CB 3.4Å; L546-A550 PolarHBondContact O-N 3.12Å; L546-A558 HydrophobicContact CD1-CB 3.97Å; L546-L561 HydrophobicContact CB-CD1 4.22Å; L546-L561 HydrophobicContact CD1-CB 4.27Å; L546-L561 HydrophobicContact CD1-CD1 4.31Å; L546-I562 HydrophobicContact CD1-CD1 4.3Å; L546-I562 HydrophobicContact CD1-CG1 4.07Å; L546-I562 HydrophobicContact CD2-CG1 4.04Å; L546-P579 HydrophobicContact CB-CG 4.46Å; L546-P579 HydrophobicContact CD2-CB 4.35Å; L546-P579 HydrophobicContact CD2-CG 3.95Å; L546-P579 HydrophobicContact CG-CB 4.11Å; L546-P579 HydrophobicContact CG-CG 3.93Å; L546-L595 HydrophobicContact CD2-CD2 4.36Å
547H93.3Very high91.6Very high0 Ų037 Ų370%017%0.174CC..Hα-helixtrans-65.2-38.3173.6-69.184.4000111.6F543 T544 A550 K551 A571 G573 L577 I582F543-H547 HydrophobicContact CB-CB 3.73Å; F543-H547 HydrophobicContact CD1-CB 4.07Å; F543-H547 HydrophobicContact CG-CB 3.91Å; T544-H547 PolarHBondContact N-ND1 3.18Å; T544-H547 WeakPolarHBondContact O-CB 3.35Å; T544-H547 PolarHBondContact O-N 3.34Å; T544-H547 PolarHBondContact OG1-ND1 2.9Å; H547-A550 PolarHBondContact O-N 3.24Å; H547-K551 PolarHBondContact O-N 3.36Å; H547-A571 PolarHBondContact CE1-O 2.87Å; H547-A571 VanDerWaalsContact CE1-O 3.23Å; H547-A571 PolarHBondContact NE2-O 3.47Å; H547-G573 PolarHBondContact NE2-N 3.14Å; H547-L577 PolarHBondContact NE2-O 3.31Å; H547-I582 HydrophobicContact CB-CD1 3.92Å
548L93.2Very high91.8Very high4 Ų436 Ų362%0.02117%0.167CC..Hα-helixtrans-69.9-42.7176.1-62-177.4000112Y510 H514 T539 F543 T544 A545 A550 K551 R552Y510-L548 HydrophobicContact CD1-CD1 4.16Å; Y510-L548 HydrophobicContact CE1-CD1 3.58Å; Y510-L548 HydrophobicContact CE1-CD2 4.45Å; H514-L548 HydrophobicContact CB-CD1 3.78Å; T539-L548 HydrophobicContact CG2-CD1 4.41Å; F543-L548 HydrophobicContact CB-CD2 4.24Å; F543-L548 HydrophobicContact CD2-CD2 4Å; T544-L548 PolarHBondContact O-N 3.2Å; A545-L548 PolarHBondContact O-N 3.12Å; L548-A550 VanDerWaalsContact C-N 3.28Å; L548-A550 PolarHBondContact O-N 3.46Å; L548-K551 PolarHBondContact O-N 3.14Å; L548-R552 PolarHBondContact O-N 3.36Å
549A93.7Very high91.8Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-60.5-39.4173.500000111.5A545 L546 G553 H554 V557 A558 L561A545-A549 PolarHBondContact O-N 2.95Å; L546-A549 PolarHBondContact O-N 3.1Å; A549-G553 PolarHBondContact O-N 3.03Å; A549-H554 PolarHBondContact O-N 3.48Å; A549-V557 HydrophobicContact CB-CB 4.38Å; A549-V557 HydrophobicContact CB-CG1 3.89Å; A549-A558 HydrophobicContact CB-CB 4.22Å; A549-L561 HydrophobicContact CB-CD1 4.14Å
550A93.6Very high91.8Very high0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-64.6-46.7173.400000112.8L546 H547 L548 R552 G553 P579 I582 A583 R588 V591L546-A550 VanDerWaalsContact O-CB 3.28Å; L546-A550 WeakPolarHBondContact O-CB 3.4Å; L546-A550 PolarHBondContact O-N 3.12Å; H547-A550 PolarHBondContact O-N 3.24Å; L548-A550 VanDerWaalsContact C-N 3.28Å; L548-A550 PolarHBondContact O-N 3.46Å; A550-R552 VanDerWaalsContact C-N 3.33Å; A550-R552 PolarHBondContact O-N 3.03Å; A550-G553 PolarHBondContact O-N 3.23Å; A550-P579 HydrophobicContact CB-CB 4.24Å; A550-I582 HydrophobicContact CB-CB 4.43Å; A550-I582 HydrophobicContact CB-CG2 4.28Å; A550-A583 HydrophobicContact CB-CB 4.29Å; A550-R588 WeakPolarHBondContact O-CG 3.12Å; A550-V591 HydrophobicContact CB-CG1 4.38Å
551K93.2Very high92Very high10 Ų1030.5 Ų30.54%0.04315%0.146CC..Hα-helixtrans-57.3-45.4176.9-172.7177.6-179.4178.20112H547 L548 I582 Y586 R588 E903H547-K551 PolarHBondContact O-N 3.36Å; L548-K551 PolarHBondContact O-N 3.14Å; K551-I582 VanDerWaalsContact CA-CG2 3.49Å; K551-I582 HydrophobicContact CB-CG2 3.68Å; K551-I582 HydrophobicContact CG-CG2 4.36Å; K551-Y586 HydrophobicContact CD-CE2 4.48Å; K551-Y586 WeakPolarHBondContact CE-OH 3.06Å; K551-Y586 HydrophobicContact CG-CD1 4.24Å; K551-Y586 HydrophobicContact CG-CD2 4.13Å; K551-Y586 HydrophobicContact CG-CE1 4.1Å; K551-Y586 HydrophobicContact CG-CE2 4.02Å; K551-Y586 HydrophobicContact CG-CG 4.25Å; K551-R588 PolarHBondContact O-NE 3.41Å; K551-R588 PolarHBondContact O-NH2 2.78Å; K551-E903 WeakPolarHBondContact CE-OE2 3.32Å; K551-E903 IonicContact NZ-OE1 3.8Å; K551-E903 PolarHBondContact NZ-OE1 2.92Å; K551-E903 IonicContact NZ-OE2 3.6Å; K551-E903 PolarHBondContact NZ-OE2 3.06Å
552R92.2Very high92.4Very high91 Ų9126.7 Ų26.734%0.34313%0.13SC..Hα-helixtrans-88.8-5.7-174-63.2-64.1179.9154.4-4.7114.5L548 A550 H554 E903L548-R552 PolarHBondContact O-N 3.36Å; A550-R552 VanDerWaalsContact C-N 3.33Å; A550-R552 PolarHBondContact O-N 3.03Å; R552-H554 VanDerWaalsContact CB-CD2 3.49Å; R552-H554 WeakPolarHBondContact CB-CD2 3.15Å; R552-E903 IonicContact CZ-OE2 3.72Å; R552-E903 IonicContact NE-OE2 3.76Å; R552-E903 IonicContact NH2-OE2 2.76Å; R552-E903 PolarHBondContact NH2-OE2 3.14Å
553G91.3Very high92.5Very high18 Ų1832.2 Ų32.219%0.18615%0.153CC..THydrogen-bonded Turntrans77.321.4175.800000114.7A549 A550 V555A549-G553 PolarHBondContact O-N 3.03Å; A550-G553 PolarHBondContact O-N 3.23Å; G553-V555 VanDerWaalsContact C-N 3.34Å; G553-V555 PolarHBondContact O-N 2.88Å
554H94.3Very high92.4Very high32 Ų3234.4 Ų34.415%0.14817%0.172CC..  trans-8173.9-172.5-69.4-50.7000112.3C517 K518 G520 A549 R552 K556 V557 A558C517-H554 PolarHBondContact O-CD2 2.84Å; C517-H554 VanDerWaalsContact O-CD2 3.28Å; K518-H554 PolarHBondContact O-CD2 3.35Å; K518-H554 PolarHBondContact O-NE2 3.17Å; G520-H554 PolarHBondContact N-NE2 3.28Å; A549-H554 PolarHBondContact O-N 3.48Å; R552-H554 VanDerWaalsContact CB-CD2 3.49Å; R552-H554 WeakPolarHBondContact CB-CD2 3.15Å; H554-K556 VanDerWaalsContact C-N 3.31Å; H554-K556 PolarHBondContact O-N 2.91Å; H554-V557 HydrophobicContact CB-CB 3.95Å; H554-V557 HydrophobicContact CB-CG2 4.08Å; H554-V557 WeakPolarHBondContact O-CB 3.41Å; H554-V557 PolarHBondContact O-N 2.88Å; H554-A558 PolarHBondContact O-N 3.41Å
555V93.1Very high92.1Very high57 Ų5736.2 Ų36.235%0.34518%0.18SC..Hα-helixtrans-49.8-44.5-174.1-167.20000113.4G553 A558 K559 P590 V591 L594G553-V555 VanDerWaalsContact C-N 3.34Å; G553-V555 PolarHBondContact O-N 2.88Å; V555-A558 PolarHBondContact O-N 3.49Å; V555-K559 WeakPolarHBondContact O-CB 3.4Å; V555-K559 PolarHBondContact O-N 3.49Å; V555-P590 HydrophobicContact CG2-CB 3.89Å; V555-V591 HydrophobicContact CG2-CG2 3.89Å; V555-L594 HydrophobicContact CG1-CD2 4.01Å
556K92.9Very high91.6Very high137 Ų13740.3 Ų40.360%0.59621%0.206SC*.Hα-helixtrans-61.9-46.3178.9-67.6-169.9179.5178.90112.3H522 H554 K559 Q560H522-K556 HydrophobicContact CB-CB 4.05Å; H522-K556 WeakPolarHBondContact CD2-CD 3.48Å; H522-K556 WeakPolarHBondContact NE2-CD 3.48Å; H522-K556 PolarHBondContact NE2-NZ 3.46Å; H522-K556 VanDerWaalsContact NE2-NZ 3.15Å; H554-K556 VanDerWaalsContact C-N 3.31Å; H554-K556 PolarHBondContact O-N 2.91Å; K556-K559 PolarHBondContact O-N 2.91Å; K556-Q560 WeakPolarHBondContact O-CG 3.04Å; K556-Q560 PolarHBondContact O-N 3.01Å; K556-Q560 VanDerWaalsContact O-N 3.08Å
557V93.4Very high91Very high1 Ų149.6 Ų49.61%0.00625%0.246CC..Hα-helixtrans-64.2-48.4177.3173.80000110.2C517 H522 L525 A549 H554 K559 Q560 L561C517-V557 HydrophobicContact CB-CG1 3.83Å; H522-V557 HydrophobicContact CB-CG2 4Å; L525-V557 HydrophobicContact CD1-CG1 4.26Å; L525-V557 HydrophobicContact CD2-CG1 3.86Å; A549-V557 HydrophobicContact CB-CB 4.38Å; A549-V557 HydrophobicContact CB-CG1 3.89Å; H554-V557 HydrophobicContact CB-CB 3.95Å; H554-V557 HydrophobicContact CB-CG2 4.08Å; H554-V557 WeakPolarHBondContact O-CB 3.41Å; H554-V557 PolarHBondContact O-N 2.88Å; V557-K559 VanDerWaalsContact C-N 3.29Å; V557-K559 PolarHBondContact O-N 3.17Å; V557-Q560 PolarHBondContact O-N 2.91Å; V557-L561 HydrophobicContact CG1-CD1 3.89Å; V557-L561 HydrophobicContact CG1-CG 4.31Å; V557-L561 VanDerWaalsContact O-CG 3.3Å; V557-L561 WeakPolarHBondContact O-CG 3.39Å; V557-L561 PolarHBondContact O-N 3.26Å
558A93Very high90.5Very high0 Ų050.2 Ų50.20%025%0.251CS..Hα-helixtrans-56.6-43.9177.100000111.5L546 A549 H554 V555 Q560 L561 I562 V591 L594L546-A558 HydrophobicContact CD1-CB 3.97Å; A549-A558 HydrophobicContact CB-CB 4.22Å; H554-A558 PolarHBondContact O-N 3.41Å; V555-A558 PolarHBondContact O-N 3.49Å; A558-Q560 PolarHBondContact O-N 2.83Å; A558-L561 PolarHBondContact O-N 3.28Å; A558-I562 WeakPolarHBondContact O-CB 3.24Å; A558-I562 WeakPolarHBondContact O-CD1 3.46Å; A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 2.94Å; A558-V591 HydrophobicContact CB-CG1 4.28Å; A558-L594 HydrophobicContact CB-CD2 3.91Å
559K92.8Very high90.2Very high109 Ų10950.2 Ų50.247%0.47425%0.251SS..Hα-helixtrans-61.9-43.9177.3-172.3169.1-176.81700112.4V555 K556 V557 I562 Q563 L594V555-K559 WeakPolarHBondContact O-CB 3.4Å; V555-K559 PolarHBondContact O-N 3.49Å; K556-K559 PolarHBondContact O-N 2.91Å; V557-K559 VanDerWaalsContact C-N 3.29Å; V557-K559 PolarHBondContact O-N 3.17Å; K559-I562 PolarHBondContact O-N 3.14Å; K559-Q563 WeakPolarHBondContact O-CB 3.26Å; K559-Q563 WeakPolarHBondContact O-CG 3.46Å; K559-Q563 PolarHBondContact O-N 2.91Å; K559-L594 HydrophobicContact CB-CD1 4.31Å; K559-L594 HydrophobicContact CB-CD2 3.94Å; K559-L594 HydrophobicContact CD-CD1 4.47Å; K559-L594 HydrophobicContact CG-CD1 4.27Å
560Q90.9Very high90Very high61 Ų6152.3 Ų52.329%0.28526%0.262SS..Hα-helixtrans-64.4-42.6175.3-73171.6-44.900112.6H522 L525 K556 V557 A558 Q563 A564H522-Q560 VanDerWaalsContact CA-OE1 3.26Å; H522-Q560 VanDerWaalsContact CB-OE1 3.22Å; H522-Q560 PolarHBondContact O-NE2 3.23Å; H522-Q560 PolarHBondContact O-OE1 3.36Å; L525-Q560 HydrophobicContact CD2-CB 3.98Å; K556-Q560 WeakPolarHBondContact O-CG 3.04Å; K556-Q560 PolarHBondContact O-N 3.01Å; K556-Q560 VanDerWaalsContact O-N 3.08Å; V557-Q560 PolarHBondContact O-N 2.91Å; A558-Q560 PolarHBondContact O-N 2.83Å; Q560-Q563 PolarHBondContact O-N 3.29Å; Q560-A564 WeakPolarHBondContact O-CB 3.31Å; Q560-A564 PolarHBondContact O-N 2.95Å
561L92Very high89.7Confident3 Ų353.5 Ų53.52%0.01627%0.272CS..Hα-helixtrans-63.6-42.4177.6-68.2172.4000111.8L525 L535 A545 L546 A549 V557 A558 A564 Q565L525-L561 HydrophobicContact CD2-CD2 3.94Å; L525-L561 HydrophobicContact CD2-CG 3.99Å; L535-L561 HydrophobicContact CD2-CD2 3.41Å; L535-L561 VanDerWaalsContact CD2-CD2 3.41Å; A545-L561 HydrophobicContact CB-CD1 3.97Å; A545-L561 HydrophobicContact CB-CD2 4.07Å; L546-L561 HydrophobicContact CB-CD1 4.22Å; L546-L561 HydrophobicContact CD1-CB 4.27Å; L546-L561 HydrophobicContact CD1-CD1 4.31Å; A549-L561 HydrophobicContact CB-CD1 4.14Å; V557-L561 HydrophobicContact CG1-CD1 3.89Å; V557-L561 HydrophobicContact CG1-CG 4.31Å; V557-L561 VanDerWaalsContact O-CG 3.3Å; V557-L561 WeakPolarHBondContact O-CG 3.39Å; V557-L561 PolarHBondContact O-N 3.26Å; A558-L561 PolarHBondContact O-N 3.28Å; L561-A564 PolarHBondContact O-N 2.93Å; L561-Q565 PolarHBondContact O-N 3.31Å
562I91.5Very high89.5Confident2 Ų256.8 Ų56.81%0.0129%0.289CS..Hα-helixtrans-65.6-41.4175.4-66.4165.5000110.5L546 A558 K559 A564 Q565 P566 V569 L594 L595 N598L546-I562 HydrophobicContact CD1-CD1 4.3Å; L546-I562 HydrophobicContact CD1-CG1 4.07Å; L546-I562 HydrophobicContact CD2-CG1 4.04Å; A558-I562 WeakPolarHBondContact O-CB 3.24Å; A558-I562 WeakPolarHBondContact O-CD1 3.46Å; A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 2.94Å; K559-I562 PolarHBondContact O-N 3.14Å; I562-A564 PolarHBondContact O-N 3.12Å; I562-Q565 CarbonylContact O-C 3.58Å; I562-Q565 VanDerWaalsContact O-C 3.22Å; I562-Q565 PolarHBondContact O-N 2.71Å; I562-P566 WeakPolarHBondContact O-CA 3.39Å; I562-P566 WeakPolarHBondContact O-CD 3.38Å; I562-P566 VanDerWaalsContact O-CG 3.28Å; I562-P566 WeakPolarHBondContact O-CG 3.42Å; I562-V569 HydrophobicContact CD1-CG2 4.37Å; I562-V569 HydrophobicContact CG1-CG2 3.99Å; I562-V569 HydrophobicContact CG2-CG2 3.85Å; I562-L594 HydrophobicContact CD1-CD2 4.29Å; I562-L594 HydrophobicContact CD1-CG 4.14Å; I562-L595 HydrophobicContact CD1-CD2 3.91Å; I562-N598 HydrophobicContact CG2-CB 3.84Å
563Q89.6Confident89Confident130 Ų13053 Ų5361%0.60728%0.278SS*.Hα-helixtrans-64.4-37.9174.7-75.5173.5-30.700112.8K559 Q560K559-Q563 WeakPolarHBondContact O-CB 3.26Å; K559-Q563 WeakPolarHBondContact O-CG 3.46Å; K559-Q563 PolarHBondContact O-N 2.91Å; Q560-Q563 PolarHBondContact O-N 3.29Å
564A87.7Confident88.4Confident53 Ų5356.2 Ų56.244%0.43829%0.288SS..Hα-helixtrans-71.7-37.6177.800000112.7L529 L535 Q560 L561 I562L529-A564 HydrophobicContact CD1-CB 4.21Å; L535-A564 HydrophobicContact CD1-CB 3.93Å; L535-A564 HydrophobicContact CD2-CB 4.49Å; Q560-A564 WeakPolarHBondContact O-CB 3.31Å; Q560-A564 PolarHBondContact O-N 2.95Å; L561-A564 PolarHBondContact O-N 2.93Å; I562-A564 PolarHBondContact O-N 3.12Å
565Q85.9Confident87.8Confident47 Ų4757.8 Ų57.822%0.2230%0.298CS..  trans-143.185.6176.1-173.5176.4-40.400111.4L535 N536 L561 I562 K567 S568L535-Q565 HydrophobicContact CD1-CB 3.94Å; N536-Q565 PolarHBondContact ND2-OE1 2.88Å; N536-Q565 VanDerWaalsContact ND2-OE1 3.12Å; N536-Q565 PolarHBondContact OD1-NE2 2.95Å; N536-Q565 PolarHBondContact OD1-OE1 3.44Å; L561-Q565 PolarHBondContact O-N 3.31Å; I562-Q565 CarbonylContact O-C 3.58Å; I562-Q565 VanDerWaalsContact O-C 3.22Å; I562-Q565 PolarHBondContact O-N 2.71Å; Q565-K567 PolarHBondContact O-N 2.96Å; Q565-S568 VanDerWaalsContact O-CB 3.3Å; Q565-S568 WeakPolarHBondContact O-CB 3.49Å; Q565-S568 PolarHBondContact O-N 3.48Å; Q565-S568 PolarHBondContact O-OG 3.31Å
566P82.7Confident87.5Confident88 Ų8858.8 Ų58.857%0.57130%0.301SS*.G310 helixtrans-59-26.7-178.6-27.534.4000113.9I562 S568 V569I562-P566 WeakPolarHBondContact O-CA 3.39Å; I562-P566 WeakPolarHBondContact O-CD 3.38Å; I562-P566 VanDerWaalsContact O-CG 3.28Å; I562-P566 WeakPolarHBondContact O-CG 3.42Å; P566-S568 PolarHBondContact O-N 3.34Å; P566-S568 VanDerWaalsContact O-N 3.15Å; P566-V569 WeakPolarHBondContact O-CG2 3.33Å
567K81Confident87.4Confident198 Ų19853.6 Ų53.686%0.86128%0.28SS*.G310 helixtrans-67.6-7.3175.2-62.1-177.6179.8179.20114.3Q565Q565-K567 PolarHBondContact O-N 2.96Å
568S82.2Confident87.4Confident13 Ų1353.7 Ų53.79%0.09128%0.28CS..G310 helixtrans-87.6-10.3-177.768.20000114.5Q565 P566 N570 A571Q565-S568 VanDerWaalsContact O-CB 3.3Å; Q565-S568 WeakPolarHBondContact O-CB 3.49Å; Q565-S568 PolarHBondContact O-N 3.48Å; Q565-S568 PolarHBondContact O-OG 3.31Å; P566-S568 PolarHBondContact O-N 3.34Å; P566-S568 VanDerWaalsContact O-N 3.15Å; S568-N570 VanDerWaalsContact C-N 3.28Å; S568-N570 PolarHBondContact O-N 3.15Å; S568-A571 WeakPolarHBondContact O-CB 3.34Å; S568-A571 PolarHBondContact O-N 2.75Å
569V88.4Confident87.4Confident4 Ų453.7 Ų53.72%0.02428%0.28CS..THydrogen-bonded Turntrans-53.8-42.8-177.2173.30000112.3I562 P566 P579 L595 N598 A600I562-V569 HydrophobicContact CD1-CG2 4.37Å; I562-V569 HydrophobicContact CG1-CG2 3.99Å; I562-V569 HydrophobicContact CG2-CG2 3.85Å; P566-V569 WeakPolarHBondContact O-CG2 3.33Å; V569-P579 WeakPolarHBondContact O-CD 3.38Å; V569-L595 HydrophobicContact CG1-CD2 3.97Å; V569-N598 HydrophobicContact CG2-CB 4.16Å; V569-A600 HydrophobicContact CG1-CB 3.57Å
570N89.2Confident87.5Confident45 Ų4548.5 Ų48.524%0.24126%0.258CS..THydrogen-bonded Turntrans-102.529.5177.5-60.2-41.2000112.7S568 N599 A600 Q601S568-N570 VanDerWaalsContact C-N 3.28Å; S568-N570 PolarHBondContact O-N 3.15Å; N570-N599 PolarHBondContact ND2-O 2.97Å; N570-A600 VanDerWaalsContact OD1-CA 3.28Å; N570-A600 WeakPolarHBondContact OD1-CA 3.23Å; N570-Q601 PolarHBondContact OD1-N 2.83Å
571A87.6Confident87.6Confident24 Ų2445.6 Ų45.620%0.19824%0.244CC..  trans-63.5138.4173.500000110.7H547 S568 T578 P579H547-A571 PolarHBondContact CE1-O 2.87Å; H547-A571 VanDerWaalsContact CE1-O 3.23Å; H547-A571 PolarHBondContact NE2-O 3.47Å; S568-A571 WeakPolarHBondContact O-CB 3.34Å; S568-A571 PolarHBondContact O-N 2.75Å; A571-T578 WeakPolarHBondContact O-CA 3.33Å; A571-P579 WeakPolarHBondContact O-CD 3.36Å
572I87.3Confident87.6Confident79 Ų7945.8 Ų45.841%0.40525%0.245SC..  trans-91.2140174.357.7178.4000111.6R538 L577 T578R538-I572 PolarHBondContact NE-O 2.88Å; R538-I572 PolarHBondContact NH2-O 3.49Å; I572-L577 CarbonylContact C-O 3.45Å; I572-L577 WeakPolarHBondContact CA-O 3.38Å; I572-T578 HydrophobicContact CG2-CG2 4.28Å
573G82.8Confident87.8Confident11 Ų1145.7 Ų45.711%0.11325%0.245CC..  trans-97-146.8171.400000112.1G542 H547 L577G542-G573 WeakPolarHBondContact O-CA 3.41Å; H547-G573 PolarHBondContact NE2-N 3.14Å; G573-L577 PolarHBondContact N-O 3.49Å
574Q78.7Confident88Confident87 Ų8739.5 Ų39.541%0.40722%0.216SC..G310 helixtrans-75.2151.3165.8-176.2170.1-1.700110K541 D576 L577K541-Q574 VanDerWaalsContact O-CB 3.27Å; K541-Q574 WeakPolarHBondContact O-CB 3.37Å; Q574-D576 PolarHBondContact O-N 3Å; Q574-L577 WeakPolarHBondContact O-CG 3.26Å; Q574-L577 PolarHBondContact O-N 3.08Å
575N80.3Confident88.2Confident64 Ų6440.4 Ų40.434%0.34221%0.211SC..G310 helixtrans53.633.2-176.9-58.7-0.4000113.5L577 A606 G607 L836N575-L577 PolarHBondContact O-N 3.19Å; N575-A606 CarbonylContact O-C 3.59Å; N575-A606 WeakPolarHBondContact O-CA 3.43Å; N575-G607 PolarHBondContact O-N 3.04Å; N575-L836 WeakPolarHBondContact ND2-CD2 3.28Å
576D87.4Confident88.5Confident78 Ų7840.8 Ų40.842%0.41721%0.211SC..G310 helixtrans54.618.2-179.8-55.2-49.5000115.4Q574Q574-D576 PolarHBondContact O-N 3Å
577L90.7Very high89Confident29 Ų2940.4 Ų40.415%0.15220%0.204CC..  trans-63.2140175-64.3171.9000110.8F543 H547 I572 G573 Q574 N575 H581 A606 M615F543-L577 HydrophobicContact CE1-CD1 4.34Å; H547-L577 PolarHBondContact NE2-O 3.31Å; I572-L577 CarbonylContact C-O 3.45Å; I572-L577 WeakPolarHBondContact CA-O 3.38Å; G573-L577 PolarHBondContact N-O 3.49Å; Q574-L577 WeakPolarHBondContact O-CG 3.26Å; Q574-L577 PolarHBondContact O-N 3.08Å; N575-L577 PolarHBondContact O-N 3.19Å; L577-H581 HydrophobicContact CD2-CB 4.21Å; L577-A606 HydrophobicContact CD2-CB 3.86Å; L577-M615 HydrophobicContact CD2-CE 3.72Å
578T93Very high89.6Confident2 Ų235.2 Ų35.21%0.01218%0.179CC..  trans-108.7166.9173.267.90000111.1A571 I572 L580 H581 I582 C604A571-T578 WeakPolarHBondContact O-CA 3.33Å; I572-T578 HydrophobicContact CG2-CG2 4.28Å; T578-L580 PolarHBondContact O-N 3.38Å; T578-H581 PolarHBondContact N-ND1 3.29Å; T578-H581 WeakPolarHBondContact O-CB 3.48Å; T578-H581 PolarHBondContact O-N 3.07Å; T578-H581 VanDerWaalsContact O-N 3.12Å; T578-H581 PolarHBondContact OG1-N 3.02Å; T578-H581 PolarHBondContact OG1-ND1 3.25Å; T578-I582 PolarHBondContact O-N 2.93Å; T578-C604 HydrophobicContact CG2-CB 4.19Å
579P93.2Very high90.1Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-54-33172-28.736000113.5L546 A550 V569 A571 I582 A583 L595L546-P579 HydrophobicContact CB-CG 4.46Å; L546-P579 HydrophobicContact CD2-CB 4.35Å; L546-P579 HydrophobicContact CD2-CG 3.95Å; L546-P579 HydrophobicContact CG-CB 4.11Å; L546-P579 HydrophobicContact CG-CG 3.93Å; A550-P579 HydrophobicContact CB-CB 4.24Å; V569-P579 WeakPolarHBondContact O-CD 3.38Å; A571-P579 WeakPolarHBondContact O-CD 3.36Å; P579-I582 PolarHBondContact O-N 2.93Å; P579-A583 VanDerWaalsContact O-CB 3.29Å; P579-A583 WeakPolarHBondContact O-CB 3.43Å; P579-A583 PolarHBondContact O-N 3.42Å; P579-L595 HydrophobicContact CB-CD1 3.93Å; P579-L595 HydrophobicContact CB-CD2 4.03Å
580L94.6Very high90.4Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-67.2-42.6177.2-172.267.1000112.1T578 I582 A583 T584 V592 L595 L596 A600 L628T578-L580 PolarHBondContact O-N 3.38Å; L580-I582 VanDerWaalsContact C-N 3.33Å; L580-I582 PolarHBondContact O-N 3.3Å; L580-A583 PolarHBondContact O-N 3.29Å; L580-T584 VanDerWaalsContact O-CB 3.24Å; L580-T584 WeakPolarHBondContact O-CB 3.49Å; L580-T584 PolarHBondContact O-N 3.33Å; L580-T584 PolarHBondContact O-OG1 3.49Å; L580-V592 HydrophobicContact CD1-CG1 4Å; L580-L595 HydrophobicContact CB-CD1 4.47Å; L580-L595 HydrophobicContact CD1-CB 4.24Å; L580-L595 HydrophobicContact CD1-CD1 4.45Å; L580-L596 HydrophobicContact CD1-CD1 4.27Å; L580-L596 HydrophobicContact CD1-CD2 4.24Å; L580-L596 HydrophobicContact CD1-CG 4Å; L580-L596 HydrophobicContact CD2-CD2 4.03Å; L580-A600 HydrophobicContact CB-CB 4.41Å; L580-A600 HydrophobicContact CD1-CB 4.38Å; L580-A600 HydrophobicContact CD2-CB 4.1Å; L580-L628 HydrophobicContact CD1-CD2 4.26Å; L580-L628 HydrophobicContact CD2-CD2 4.08Å; L580-L628 HydrophobicContact CG-CD2 4.37Å
581H93.3Very high90.6Very high1 Ų138.4 Ų38.41%0.00520%0.199CC..Hα-helixtrans-59.3-44.9174.1-72.894.9000111.3L577 T578 T584 H585 C604 Y610 T611 S612 M615L577-H581 HydrophobicContact CD2-CB 4.21Å; T578-H581 PolarHBondContact N-ND1 3.29Å; T578-H581 WeakPolarHBondContact O-CB 3.48Å; T578-H581 PolarHBondContact O-N 3.07Å; T578-H581 VanDerWaalsContact O-N 3.12Å; T578-H581 PolarHBondContact OG1-N 3.02Å; T578-H581 PolarHBondContact OG1-ND1 3.25Å; H581-T584 PolarHBondContact O-N 2.92Å; H581-H585 WeakPolarHBondContact O-CB 3.24Å; H581-H585 PolarHBondContact O-N 3.46Å; H581-C604 PolarHBondContact CE1-O 3.17Å; H581-C604 PolarHBondContact NE2-O 2.67Å; H581-Y610 PolarHBondContact NE2-O 2.7Å; H581-T611 VanDerWaalsContact NE2-C 3.26Å; H581-S612 PolarHBondContact CD2-N 2.75Å; H581-S612 PolarHBondContact CD2-OG 2.6Å; H581-S612 PolarHBondContact N-OG 2.89Å; H581-S612 PolarHBondContact NE2-N 3.45Å; H581-S612 VanDerWaalsContact NE2-N 3.15Å; H581-M615 HydrophobicContact CB-CE 4.21Å; H581-M615 HydrophobicContact CB-SD 3.84Å
582I93Very high90.9Very high7 Ų737.2 Ų37.24%0.03619%0.189CC..Hα-helixtrans-68.1-46.9178.9-62.6-175.4000111.3F543 H547 A550 K551 T578 P579 L580 T584 H585 Y586F543-I582 HydrophobicContact CD1-CD1 3.95Å; F543-I582 HydrophobicContact CE1-CD1 3.44Å; F543-I582 VanDerWaalsContact CE1-CD1 3.44Å; F543-I582 HydrophobicContact CE2-CD1 4.14Å; F543-I582 HydrophobicContact CZ-CD1 3.53Å; H547-I582 HydrophobicContact CB-CD1 3.92Å; A550-I582 HydrophobicContact CB-CB 4.43Å; A550-I582 HydrophobicContact CB-CG2 4.28Å; K551-I582 VanDerWaalsContact CA-CG2 3.49Å; K551-I582 HydrophobicContact CB-CG2 3.68Å; K551-I582 HydrophobicContact CG-CG2 4.36Å; T578-I582 PolarHBondContact O-N 2.93Å; P579-I582 PolarHBondContact O-N 2.93Å; L580-I582 VanDerWaalsContact C-N 3.33Å; L580-I582 PolarHBondContact O-N 3.3Å; I582-T584 PolarHBondContact O-N 3.28Å; I582-H585 PolarHBondContact O-N 3Å; I582-Y586 HydrophobicContact CG2-CD2 3.89Å; I582-Y586 HydrophobicContact CG2-CE2 4.24Å; I582-Y586 WeakPolarHBondContact O-CD2 3.41Å; I582-Y586 PolarHBondContact O-N 3.04Å
583A94.5Very high91.2Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-59.8-35.9177.200000111.5A550 P579 L580 N587 R588 V591 V592 L595A550-A583 HydrophobicContact CB-CB 4.29Å; P579-A583 VanDerWaalsContact O-CB 3.29Å; P579-A583 WeakPolarHBondContact O-CB 3.43Å; P579-A583 PolarHBondContact O-N 3.42Å; L580-A583 PolarHBondContact O-N 3.29Å; A583-N587 PolarHBondContact O-N 2.89Å; A583-R588 HydrophobicContact CB-CB 4.27Å; A583-R588 WeakPolarHBondContact O-CB 3.36Å; A583-R588 PolarHBondContact O-N 3.23Å; A583-V591 HydrophobicContact CB-CB 4.31Å; A583-V591 HydrophobicContact CB-CG1 4.21Å; A583-V592 HydrophobicContact CB-CG2 3.58Å; A583-L595 HydrophobicContact CB-CD1 3.99Å
584T94.2Very high91.8Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-68.6-47.6174.5-58.70000112.1L580 H581 I582 Y586 N587 S612 M615 A616 H621 I624 L628L580-T584 VanDerWaalsContact O-CB 3.24Å; L580-T584 WeakPolarHBondContact O-CB 3.49Å; L580-T584 PolarHBondContact O-N 3.33Å; L580-T584 PolarHBondContact O-OG1 3.49Å; H581-T584 PolarHBondContact O-N 2.92Å; I582-T584 PolarHBondContact O-N 3.28Å; T584-Y586 VanDerWaalsContact C-N 3.35Å; T584-Y586 PolarHBondContact O-N 3.16Å; T584-N587 PolarHBondContact O-N 2.79Å; T584-S612 WeakPolarHBondContact CG2-O 3.47Å; T584-M615 HydrophobicContact CG2-CB 4.14Å; T584-A616 HydrophobicContact CG2-CB 3.75Å; T584-H621 PolarHBondContact O-CE1 2.95Å; T584-H621 VanDerWaalsContact O-CE1 3.29Å; T584-H621 PolarHBondContact O-ND1 3.37Å; T584-I624 HydrophobicContact CG2-CG2 3.71Å; T584-L628 HydrophobicContact CG2-CD1 4.37Å
585H91.9Very high92.5Very high72 Ų7234 Ų3433%0.33317%0.17SC..Hα-helixtrans-64.7-34.8-179.2-172-62.8000113.1H581 I582 N587 M615 Q619H581-H585 WeakPolarHBondContact O-CB 3.24Å; H581-H585 PolarHBondContact O-N 3.46Å; I582-H585 PolarHBondContact O-N 3Å; H585-N587 VanDerWaalsContact C-N 3.35Å; H585-M615 HydrophobicContact CB-SD 4.38Å; H585-Q619 PolarHBondContact NE2-NE2 2.74Å
586Y92.1Very high93.1Very high54 Ų5431.5 Ų31.521%0.21216%0.156CC..THydrogen-bonded Turntrans-95.818.7-178.3-71.2-92.5000113.4K551 I582 T584 R588K551-Y586 HydrophobicContact CD-CE2 4.48Å; K551-Y586 WeakPolarHBondContact CE-OH 3.06Å; K551-Y586 HydrophobicContact CG-CD1 4.24Å; K551-Y586 HydrophobicContact CG-CD2 4.13Å; K551-Y586 HydrophobicContact CG-CE1 4.1Å; K551-Y586 HydrophobicContact CG-CE2 4.02Å; K551-Y586 HydrophobicContact CG-CG 4.25Å; I582-Y586 HydrophobicContact CG2-CD2 3.89Å; I582-Y586 HydrophobicContact CG2-CE2 4.24Å; I582-Y586 WeakPolarHBondContact O-CD2 3.41Å; I582-Y586 PolarHBondContact O-N 3.04Å; T584-Y586 VanDerWaalsContact C-N 3.35Å; T584-Y586 PolarHBondContact O-N 3.16Å; Y586-R588 WeakPolarHBondContact O-CD 3.41Å; Y586-R588 WeakPolarHBondContact O-CG 3.3Å; Y586-R588 PolarHBondContact O-N 3.43Å; Y586-R588 PolarHBondContact O-NE 2.8Å; Y586-R588 VanDerWaalsContact O-NE 3.13Å; Y586-R588 PolarHBondContact O-NH1 2.9Å; Y586-R588 VanDerWaalsContact O-NH1 3.1Å
587N93.1Very high93.2Very high80 Ų8032.2 Ų32.243%0.42816%0.16SC..THydrogen-bonded Turntrans4557.7-177.4-157.7-9.6000113.6A583 T584 H585 I624A583-N587 PolarHBondContact O-N 2.89Å; T584-N587 PolarHBondContact O-N 2.79Å; H585-N587 VanDerWaalsContact C-N 3.35Å; N587-I624 WeakPolarHBondContact OD1-CD1 3.13Å
588R94.7Very high93.3Very high90 Ų9033.9 Ų33.934%0.3417%0.169SC..  trans-105.657.2-177.7-54.1-53.7-174.3-144.2-2.1111A550 K551 A583 Y586 P590 V591 V592A550-R588 WeakPolarHBondContact O-CG 3.12Å; K551-R588 PolarHBondContact O-NE 3.41Å; K551-R588 PolarHBondContact O-NH2 2.78Å; A583-R588 HydrophobicContact CB-CB 4.27Å; A583-R588 WeakPolarHBondContact O-CB 3.36Å; A583-R588 PolarHBondContact O-N 3.23Å; Y586-R588 WeakPolarHBondContact O-CD 3.41Å; Y586-R588 WeakPolarHBondContact O-CG 3.3Å; Y586-R588 PolarHBondContact O-N 3.43Å; Y586-R588 PolarHBondContact O-NE 2.8Å; Y586-R588 VanDerWaalsContact O-NE 3.13Å; Y586-R588 PolarHBondContact O-NH1 2.9Å; Y586-R588 VanDerWaalsContact O-NH1 3.1Å; R588-P590 VanDerWaalsContact C-CD 3.47Å; R588-P590 VanDerWaalsContact C-N 3.32Å; R588-P590 VanDerWaalsContact O-N 3.11Å; R588-V591 HydrophobicContact CB-CB 4.12Å; R588-V591 HydrophobicContact CB-CG2 4.28Å; R588-V591 CarbonylContact O-C 3.57Å; R588-V591 WeakPolarHBondContact O-CA 3.23Å; R588-V591 PolarHBondContact O-N 2.88Å; R588-V592 PolarHBondContact O-N 2.87Å
589L92.3Very high93.1Very high49 Ų4940.3 Ų40.326%0.25720%0.203SC..Hα-helixtrans-42.8-46.1-176.3-179.268000114.2V591 V592 Q593 D623 I624 L627L589-V591 VanDerWaalsContact C-N 3.3Å; L589-V591 PolarHBondContact O-N 2.99Å; L589-V592 PolarHBondContact O-N 3.42Å; L589-Q593 WeakPolarHBondContact O-CB 3.38Å; L589-Q593 PolarHBondContact O-N 2.92Å; L589-D623 HydrophobicContact CD1-CB 4.11Å; L589-D623 HydrophobicContact CD2-CB 3.97Å; L589-I624 HydrophobicContact CB-CD1 4.5Å; L589-I624 HydrophobicContact CB-CG1 4.26Å; L589-I624 HydrophobicContact CD1-CG1 3.74Å; L589-L627 HydrophobicContact CD1-CD1 3.83Å
590P94.4Very high92.9Very high78 Ų7840.8 Ų40.851%0.50621%0.207SC..Hα-helixtrans-68.4-23177.8-21.435.1000114.9V555 R588 L594V555-P590 HydrophobicContact CG2-CB 3.89Å; R588-P590 VanDerWaalsContact C-CD 3.47Å; R588-P590 VanDerWaalsContact C-N 3.32Å; R588-P590 VanDerWaalsContact O-N 3.11Å; P590-L594 VanDerWaalsContact O-CB 3.28Å; P590-L594 WeakPolarHBondContact O-CB 3.34Å; P590-L594 PolarHBondContact O-N 3.01Å
591V93.9Very high92.6Very high1 Ų145.3 Ų45.31%0.00623%0.228CC..Hα-helixtrans-86-35.2172.9-173.80000110.8A550 V555 A558 A583 R588 L589 L594 L595A550-V591 HydrophobicContact CB-CG1 4.38Å; V555-V591 HydrophobicContact CG2-CG2 3.89Å; A558-V591 HydrophobicContact CB-CG1 4.28Å; A583-V591 HydrophobicContact CB-CB 4.31Å; A583-V591 HydrophobicContact CB-CG1 4.21Å; R588-V591 HydrophobicContact CB-CB 4.12Å; R588-V591 HydrophobicContact CB-CG2 4.28Å; R588-V591 CarbonylContact O-C 3.57Å; R588-V591 WeakPolarHBondContact O-CA 3.23Å; R588-V591 PolarHBondContact O-N 2.88Å; L589-V591 VanDerWaalsContact C-N 3.3Å; L589-V591 PolarHBondContact O-N 2.99Å; V591-L594 PolarHBondContact O-N 2.79Å; V591-L595 HydrophobicContact CG1-CD1 4.01Å; V591-L595 HydrophobicContact CG1-CG 4.29Å; V591-L595 WeakPolarHBondContact O-CB 3.49Å; V591-L595 WeakPolarHBondContact O-CD1 3.41Å; V591-L595 WeakPolarHBondContact O-CG 3.43Å; V591-L595 PolarHBondContact O-N 3.32Å
592V94.3Very high92.3Very high0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-58.2-50.8170.8171.30000110L580 A583 R588 L589 L595 L596 I624 L627 L628L580-V592 HydrophobicContact CD1-CG1 4Å; A583-V592 HydrophobicContact CB-CG2 3.58Å; R588-V592 PolarHBondContact O-N 2.87Å; L589-V592 PolarHBondContact O-N 3.42Å; V592-L595 PolarHBondContact O-N 3.5Å; V592-L596 HydrophobicContact CG1-CD1 3.74Å; V592-L596 WeakPolarHBondContact O-CG 3.37Å; V592-L596 PolarHBondContact O-N 2.8Å; V592-I624 HydrophobicContact CG1-CG2 4.07Å; V592-I624 HydrophobicContact CG2-CD1 4.08Å; V592-I624 HydrophobicContact CG2-CG1 4.39Å; V592-I624 HydrophobicContact CG2-CG2 4.35Å; V592-L627 HydrophobicContact CG1-CD2 4.38Å; V592-L628 HydrophobicContact CG1-CD2 4.46Å
593Q93.4Very high92Very high92 Ų9248.2 Ų48.243%0.4325%0.245SC..Hα-helixtrans-58.4-51.9175.5-173.8178.41.600111.2L589 L595 L596 D597 L627L589-Q593 WeakPolarHBondContact O-CB 3.38Å; L589-Q593 PolarHBondContact O-N 2.92Å; Q593-L595 PolarHBondContact O-N 3.17Å; Q593-L596 PolarHBondContact O-N 2.79Å; Q593-D597 WeakPolarHBondContact O-CB 3.47Å; Q593-D597 PolarHBondContact O-N 2.9Å; Q593-L627 HydrophobicContact CB-CD1 4.21Å; Q593-L627 HydrophobicContact CG-CD1 4.42Å
594L94.1Very high91.7Very high17 Ų1749.6 Ų49.69%0.08925%0.254CS..Hα-helixtrans-55.7-36.4177.717667.4000113.4V555 A558 K559 I562 P590 V591 N598V555-L594 HydrophobicContact CG1-CD2 4.01Å; A558-L594 HydrophobicContact CB-CD2 3.91Å; K559-L594 HydrophobicContact CB-CD1 4.31Å; K559-L594 HydrophobicContact CB-CD2 3.94Å; K559-L594 HydrophobicContact CD-CD1 4.47Å; K559-L594 HydrophobicContact CG-CD1 4.27Å; I562-L594 HydrophobicContact CD1-CD2 4.29Å; I562-L594 HydrophobicContact CD1-CG 4.14Å; P590-L594 VanDerWaalsContact O-CB 3.28Å; P590-L594 WeakPolarHBondContact O-CB 3.34Å; P590-L594 PolarHBondContact O-N 3.01Å; V591-L594 PolarHBondContact O-N 2.79Å; L594-N598 PolarHBondContact O-N 3.13Å; L594-N598 PolarHBondContact O-ND2 2.83Å
595L94.2Very high91.5Very high0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-70-43.1177.1-75.8167.2000111.2L546 I562 V569 P579 L580 A583 V591 V592 Q593 N598 N599 A600L546-L595 HydrophobicContact CD2-CD2 4.36Å; I562-L595 HydrophobicContact CD1-CD2 3.91Å; V569-L595 HydrophobicContact CG1-CD2 3.97Å; P579-L595 HydrophobicContact CB-CD1 3.93Å; P579-L595 HydrophobicContact CB-CD2 4.03Å; L580-L595 HydrophobicContact CB-CD1 4.47Å; L580-L595 HydrophobicContact CD1-CB 4.24Å; L580-L595 HydrophobicContact CD1-CD1 4.45Å; A583-L595 HydrophobicContact CB-CD1 3.99Å; V591-L595 HydrophobicContact CG1-CD1 4.01Å; V591-L595 HydrophobicContact CG1-CG 4.29Å; V591-L595 WeakPolarHBondContact O-CB 3.49Å; V591-L595 WeakPolarHBondContact O-CD1 3.41Å; V591-L595 WeakPolarHBondContact O-CG 3.43Å; V591-L595 PolarHBondContact O-N 3.32Å; V592-L595 PolarHBondContact O-N 3.5Å; Q593-L595 PolarHBondContact O-N 3.17Å; L595-N598 CarbonylContact O-C 3.52Å; L595-N598 VanDerWaalsContact O-C 3.27Å; L595-N598 WeakPolarHBondContact O-CA 3.12Å; L595-N598 PolarHBondContact O-N 2.82Å; L595-N598 VanDerWaalsContact O-N 3.14Å; L595-N599 PolarHBondContact O-N 2.84Å; L595-A600 VanDerWaalsContact C-CB 3.48Å; L595-A600 HydrophobicContact CB-CB 3.86Å; L595-A600 WeakPolarHBondContact O-CB 3.33Å; L595-A600 PolarHBondContact O-N 2.78Å
596L92.1Very high91.3Very high12 Ų1252.1 Ų52.16%0.06326%0.262CS..Hα-helixtrans-70.9-40.1179.4-67.3163.1000112.2L580 V592 Q593 N598 N599 A600 V602 L627 L628L580-L596 HydrophobicContact CD1-CD1 4.27Å; L580-L596 HydrophobicContact CD1-CD2 4.24Å; L580-L596 HydrophobicContact CD1-CG 4Å; L580-L596 HydrophobicContact CD2-CD2 4.03Å; V592-L596 HydrophobicContact CG1-CD1 3.74Å; V592-L596 WeakPolarHBondContact O-CG 3.37Å; V592-L596 PolarHBondContact O-N 2.8Å; Q593-L596 PolarHBondContact O-N 2.79Å; L596-N598 PolarHBondContact O-N 3.46Å; L596-N599 PolarHBondContact O-N 2.66Å; L596-A600 HydrophobicContact CD2-CB 4.18Å; L596-V602 HydrophobicContact CD2-CG2 3.86Å; L596-L627 HydrophobicContact CD1-CD2 3.29Å; L596-L628 HydrophobicContact CD1-CD2 3.94Å; L596-L628 HydrophobicContact CD2-CD2 4.48Å
597D91.1Very high90.9Very high93 Ų9350.9 Ų50.950%0.49727%0.265SS..THydrogen-bonded Turntrans-54.3-20.7167.9-69.6-18.5000112.7Q593Q593-D597 WeakPolarHBondContact O-CB 3.47Å; Q593-D597 PolarHBondContact O-N 2.9Å
598N91.3Very high90.5Very high64 Ų6449.5 Ų49.534%0.34226%0.258SS..THydrogen-bonded Turntrans-11630.8178.6-69.9-98.5000112.4I562 V569 L594 L595 L596I562-N598 HydrophobicContact CG2-CB 3.84Å; V569-N598 HydrophobicContact CG2-CB 4.16Å; L594-N598 PolarHBondContact O-N 3.13Å; L594-N598 PolarHBondContact O-ND2 2.83Å; L595-N598 CarbonylContact O-C 3.52Å; L595-N598 VanDerWaalsContact O-C 3.27Å; L595-N598 WeakPolarHBondContact O-CA 3.12Å; L595-N598 PolarHBondContact O-N 2.82Å; L595-N598 VanDerWaalsContact O-N 3.14Å; L596-N598 PolarHBondContact O-N 3.46Å
599N88.6Confident90.1Very high136 Ų13645.8 Ų45.873%0.72725%0.247SC*.THydrogen-bonded Turntrans64.639.7172.8-5969.6000114.9N570 L595 L596N570-N599 PolarHBondContact ND2-O 2.97Å; L595-N599 PolarHBondContact O-N 2.84Å; L596-N599 PolarHBondContact O-N 2.66Å
600A90.6Very high90.1Very high10 Ų1043.8 Ų43.88%0.08324%0.237CC..  trans-63.5138.5165.300000111.7V569 N570 L580 L595 L596V569-A600 HydrophobicContact CG1-CB 3.57Å; N570-A600 VanDerWaalsContact OD1-CA 3.28Å; N570-A600 WeakPolarHBondContact OD1-CA 3.23Å; L580-A600 HydrophobicContact CB-CB 4.41Å; L580-A600 HydrophobicContact CD1-CB 4.38Å; L580-A600 HydrophobicContact CD2-CB 4.1Å; L595-A600 VanDerWaalsContact C-CB 3.48Å; L595-A600 HydrophobicContact CB-CB 3.86Å; L595-A600 WeakPolarHBondContact O-CB 3.33Å; L595-A600 PolarHBondContact O-N 2.78Å; L596-A600 HydrophobicContact CD2-CB 4.18Å
601Q87.6Confident89.9Confident95 Ų9540.1 Ų40.144%0.44421%0.212SC..  trans-88.2117.8-179-80.7-177.4-10600111.1N570 D603 C604N570-Q601 PolarHBondContact OD1-N 2.83Å; Q601-D603 PolarHBondContact NE2-OD1 2.87Å; Q601-D603 VanDerWaalsContact NE2-OD1 3.16Å; Q601-C604 WeakPolarHBondContact CB-SG 3.26Å
602V87.6Confident89.9Confident5 Ų540 Ų403%0.0321%0.212CC..THydrogen-bonded Turntrans-73.5-30.7-179.2-152.60000111.8L596 C604 L628 E632 I638L596-V602 HydrophobicContact CD2-CG2 3.86Å; V602-C604 VanDerWaalsContact C-N 3.34Å; V602-C604 PolarHBondContact O-N 2.8Å; V602-L628 HydrophobicContact CG1-CB 3.9Å; V602-L628 HydrophobicContact CG1-CD2 3.66Å; V602-L628 HydrophobicContact CG1-CG 4.29Å; V602-E632 WeakPolarHBondContact CG2-OE2 3.36Å; V602-I638 HydrophobicContact CB-CD1 3.63Å; V602-I638 HydrophobicContact CG1-CD1 3.4Å; V602-I638 VanDerWaalsContact CG1-CD1 3.4Å
603D86Confident89.9Confident65 Ų6540 Ų4035%0.34821%0.212SC..THydrogen-bonded Turntrans-78.4-11.7-175.581.5-51.2000115Q601 R605Q601-D603 PolarHBondContact NE2-OD1 2.87Å; Q601-D603 VanDerWaalsContact NE2-OD1 3.16Å; D603-R605 PolarHBondContact O-NH1 2.86Å
604C88Confident89.9Confident28 Ų2835.7 Ų35.719%0.18919%0.192CC..  trans-52.7139.9176.1-780000111.1T578 H581 Q601 V602 T611T578-C604 HydrophobicContact CG2-CB 4.19Å; H581-C604 PolarHBondContact CE1-O 3.17Å; H581-C604 PolarHBondContact NE2-O 2.67Å; Q601-C604 WeakPolarHBondContact CB-SG 3.26Å; V602-C604 VanDerWaalsContact C-N 3.34Å; V602-C604 PolarHBondContact O-N 2.8Å; C604-T611 WeakPolarHBondContact O-CA 3.47Å
605R89.4Confident89.8Confident119 Ų11935.9 Ų35.945%0.44919%0.192SC..  trans-116.2132.3179.3-72178.117373.9-9.6111.6D603 G609 Y610 T611D603-R605 PolarHBondContact O-NH1 2.86Å; R605-G609 WeakPolarHBondContact CG-O 3.34Å; R605-Y610 CarbonylContact C-O 3.58Å; R605-Y610 VanDerWaalsContact CA-O 3.32Å; R605-Y610 WeakPolarHBondContact CA-O 3.48Å; R605-T611 HydrophobicContact CG-CG2 3.89Å
606A88.4Confident89.8Confident7 Ų735.9 Ų35.96%0.05819%0.192CC..  trans-68.4171.9164.400000111.5N575 L577 N608 G609 Y610 M615N575-A606 CarbonylContact O-C 3.59Å; N575-A606 WeakPolarHBondContact O-CA 3.43Å; L577-A606 HydrophobicContact CD2-CB 3.86Å; A606-N608 VanDerWaalsContact C-N 3.26Å; A606-N608 PolarHBondContact O-N 3.22Å; A606-G609 VanDerWaalsContact O-CA 3.31Å; A606-G609 WeakPolarHBondContact O-CA 3.49Å; A606-G609 PolarHBondContact O-N 2.93Å; A606-Y610 PolarHBondContact N-O 3.26Å; A606-M615 HydrophobicContact CB-CE 4.41Å
607G83.9Confident89.9Confident28 Ų2835.3 Ų35.329%0.28919%0.189SC..THydrogen-bonded Turntrans-61.8-25.2-174.400000115.9N575 G609 R644N575-G607 PolarHBondContact O-N 3.04Å; G607-G609 VanDerWaalsContact C-N 3.27Å; G607-R644 PolarHBondContact O-NH1 3.35Å
608N83.9Confident89.9Confident51 Ų5132.6 Ų32.627%0.27317%0.173SC..THydrogen-bonded Turntrans-84.53.4170.972.2-13.5000113.2A606 Y610 R644A606-N608 VanDerWaalsContact C-N 3.26Å; A606-N608 PolarHBondContact O-N 3.22Å; N608-Y610 WeakPolarHBondContact ND2-CD1 3.44Å; N608-Y610 WeakPolarHBondContact ND2-CD2 3.29Å; N608-Y610 VanDerWaalsContact OD1-CB 3.29Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.27Å; N608-Y610 PolarHBondContact OD1-N 2.95Å; N608-R644 WeakPolarHBondContact O-CB 3.38Å; N608-R644 PolarHBondContact O-N 2.79Å
609G87.2Confident89.9Confident11 Ų1133.3 Ų33.311%0.11318%0.175CC..SBendtrans831.1-178.900000115.5R605 A606 G607R605-G609 WeakPolarHBondContact CG-O 3.34Å; A606-G609 VanDerWaalsContact O-CA 3.31Å; A606-G609 WeakPolarHBondContact O-CA 3.49Å; A606-G609 PolarHBondContact O-N 2.93Å; G607-G609 VanDerWaalsContact C-N 3.27Å
610Y91.1Very high90.2Very high8 Ų829.6 Ų29.63%0.03116%0.155CC..  trans-68.2136.1178.9-76.914.7000111.2H581 R605 A606 N608 H614 M615 L652 P832H581-Y610 PolarHBondContact NE2-O 2.7Å; R605-Y610 CarbonylContact C-O 3.58Å; R605-Y610 VanDerWaalsContact CA-O 3.32Å; R605-Y610 WeakPolarHBondContact CA-O 3.48Å; A606-Y610 PolarHBondContact N-O 3.26Å; N608-Y610 WeakPolarHBondContact ND2-CD1 3.44Å; N608-Y610 WeakPolarHBondContact ND2-CD2 3.29Å; N608-Y610 VanDerWaalsContact OD1-CB 3.29Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.27Å; N608-Y610 PolarHBondContact OD1-N 2.95Å; Y610-H614 HydrophobicContact CD1-CB 4.3Å; Y610-H614 AromaticContact CD1-CD2 3.89Å; Y610-H614 HydrophobicContact CD2-CB 4.04Å; Y610-H614 HydrophobicContact CG-CB 3.82Å; Y610-M615 HydrophobicContact CD2-CG 4.41Å; Y610-L652 HydrophobicContact CE1-CD1 4.25Å; Y610-L652 HydrophobicContact CE2-CD1 3.98Å; Y610-P832 WeakPolarHBondContact OH-CB 3.29Å
611T92.2Very high90.3Very high0 Ų030.3 Ų30.30%016%0.156CC..  trans-89.3172.1163.962.10000110.7H581 C604 R605 L613 H614 M615 S641H581-T611 VanDerWaalsContact NE2-C 3.26Å; C604-T611 WeakPolarHBondContact O-CA 3.47Å; R605-T611 HydrophobicContact CG-CG2 3.89Å; T611-L613 PolarHBondContact O-N 2.77Å; T611-H614 PolarHBondContact N-ND1 3.26Å; T611-H614 WeakPolarHBondContact O-CB 3.06Å; T611-H614 PolarHBondContact O-N 2.93Å; T611-H614 PolarHBondContact OG1-ND1 3.49Å; T611-M615 PolarHBondContact O-N 3.09Å; T611-S641 PolarHBondContact OG1-OG 2.73Å
612S92.5Very high90.5Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-60.7-33175.3-65.90000111.8H581 T584 H614 M615 A616H581-S612 PolarHBondContact CD2-N 2.75Å; H581-S612 PolarHBondContact CD2-OG 2.6Å; H581-S612 PolarHBondContact N-OG 2.89Å; H581-S612 PolarHBondContact NE2-N 3.45Å; H581-S612 VanDerWaalsContact NE2-N 3.15Å; T584-S612 WeakPolarHBondContact CG2-O 3.47Å; S612-H614 VanDerWaalsContact C-N 3.34Å; S612-H614 PolarHBondContact O-N 2.72Å; S612-M615 PolarHBondContact O-N 2.97Å; S612-M615 VanDerWaalsContact O-N 3.15Å; S612-A616 PolarHBondContact O-N 3.31Å
613L93.8Very high90.8Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-64.7-32.1174.1-173.161.8000113.1T611 M615 A617 A625 L629 I638 P649 L665T611-L613 PolarHBondContact O-N 2.77Å; L613-M615 VanDerWaalsContact C-N 3.33Å; L613-A617 WeakPolarHBondContact O-CB 3.34Å; L613-A617 PolarHBondContact O-N 3.49Å; L613-A625 HydrophobicContact CD1-CB 3.98Å; L613-L629 HydrophobicContact CD1-CD1 4.43Å; L613-L629 HydrophobicContact CD1-CG 4.21Å; L613-L629 HydrophobicContact CD2-CD2 3.86Å; L613-L629 HydrophobicContact CD2-CG 4.33Å; L613-I638 HydrophobicContact CD2-CG1 4.14Å; L613-I638 HydrophobicContact CD2-CG2 4.35Å; L613-P649 HydrophobicContact CB-CG 4.41Å; L613-P649 HydrophobicContact CD2-CB 4.49Å; L613-P649 HydrophobicContact CD2-CG 4.1Å; L613-P649 HydrophobicContact CG-CB 4.16Å; L613-P649 HydrophobicContact CG-CG 3.99Å; L613-L665 HydrophobicContact CD1-CD2 4.32Å; L613-L665 HydrophobicContact CD2-CD2 4.07Å; L613-L665 HydrophobicContact CG-CD2 4.32Å
614H93.3Very high91.1Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-64.1-39.3172.5-7372.5000111.5Y610 T611 S612 A617 K618 S641 F647 L652Y610-H614 HydrophobicContact CD1-CB 4.3Å; Y610-H614 AromaticContact CD1-CD2 3.89Å; Y610-H614 HydrophobicContact CD2-CB 4.04Å; Y610-H614 HydrophobicContact CG-CB 3.82Å; T611-H614 PolarHBondContact N-ND1 3.26Å; T611-H614 WeakPolarHBondContact O-CB 3.06Å; T611-H614 PolarHBondContact O-N 2.93Å; T611-H614 PolarHBondContact OG1-ND1 3.49Å; S612-H614 VanDerWaalsContact C-N 3.34Å; S612-H614 PolarHBondContact O-N 2.72Å; H614-A617 PolarHBondContact O-N 3.31Å; H614-K618 PolarHBondContact O-N 3.09Å; H614-S641 PolarHBondContact CE1-O 3.12Å; H614-S641 PolarHBondContact CE1-OG 3.42Å; H614-S641 PolarHBondContact NE2-O 3.08Å; H614-F647 PolarHBondContact NE2-O 3.05Å; H614-L652 HydrophobicContact CB-CD1 3.91Å
615M92.8Very high91.4Very high21 Ų2128.7 Ų28.710%0.10315%0.148CC..Hα-helixtrans-71.2-40.9179-63.6-175.5-178.600111.8L577 H581 T584 H585 A606 Y610 T611 S612 L613 A617 Q619L577-M615 HydrophobicContact CD2-CE 3.72Å; H581-M615 HydrophobicContact CB-CE 4.21Å; H581-M615 HydrophobicContact CB-SD 3.84Å; T584-M615 HydrophobicContact CG2-CB 4.14Å; H585-M615 HydrophobicContact CB-SD 4.38Å; A606-M615 HydrophobicContact CB-CE 4.41Å; Y610-M615 HydrophobicContact CD2-CG 4.41Å; T611-M615 PolarHBondContact O-N 3.09Å; S612-M615 PolarHBondContact O-N 2.97Å; S612-M615 VanDerWaalsContact O-N 3.15Å; L613-M615 VanDerWaalsContact C-N 3.33Å; M615-A617 VanDerWaalsContact C-N 3.34Å; M615-Q619 WeakPolarHBondContact O-CB 3.26Å; M615-Q619 WeakPolarHBondContact O-CG 3.49Å; M615-Q619 PolarHBondContact O-N 2.86Å; M615-Q619 VanDerWaalsContact O-N 3.12Å
616A94.4Very high91.5Very high0 Ų026.2 Ų26.20%015%0.147CC..Hα-helixtrans-61.4-43172.700000111.5T584 S612 Q619 N620 H621 I624 A625 L628 M661T584-A616 HydrophobicContact CG2-CB 3.75Å; S612-A616 PolarHBondContact O-N 3.31Å; A616-Q619 PolarHBondContact O-N 3.36Å; A616-N620 PolarHBondContact O-N 3.28Å; A616-N620 VanDerWaalsContact O-N 3.14Å; A616-H621 HydrophobicContact CB-CB 4.37Å; A616-H621 PolarHBondContact O-N 3.27Å; A616-I624 HydrophobicContact CB-CG2 4.25Å; A616-A625 HydrophobicContact CB-CB 4.03Å; A616-L628 HydrophobicContact CB-CD1 4.18Å; A616-M661 WeakPolarHBondContact O-CE 3.43Å
617A93.9Very high91.6Very high0 Ų027.4 Ų27.40%015%0.152CC..Hα-helixtrans-67.8-34.7-179.400000113.9L613 H614 M615 P649 A653 H658 M661 L665L613-A617 WeakPolarHBondContact O-CB 3.34Å; L613-A617 PolarHBondContact O-N 3.49Å; H614-A617 PolarHBondContact O-N 3.31Å; M615-A617 VanDerWaalsContact C-N 3.34Å; A617-P649 HydrophobicContact CB-CB 3.83Å; A617-A653 HydrophobicContact CB-CB 4.44Å; A617-H658 PolarHBondContact O-CD2 3.37Å; A617-M661 HydrophobicContact CB-CG 4.1Å; A617-M661 HydrophobicContact CB-SD 4.29Å; A617-L665 HydrophobicContact CB-CD1 4.14Å
618K91.9Very high92Very high37 Ų3726.1 Ų26.116%0.16114%0.138CC..Hα-helixtrans-73-41.9174-179.1169.1167.9590112.6H614 N620 L652 E656 H658H614-K618 PolarHBondContact O-N 3.09Å; K618-N620 VanDerWaalsContact C-N 3.31Å; K618-N620 PolarHBondContact O-N 3.3Å; K618-L652 HydrophobicContact CB-CB 4.31Å; K618-L652 HydrophobicContact CB-CD1 4.39Å; K618-E656 HydrophobicContact CG-CG 4.01Å; K618-E656 IonicContact NZ-OE1 3.9Å; K618-E656 PolarHBondContact NZ-OE1 2.89Å; K618-E656 IonicContact NZ-OE2 2.74Å; K618-E656 PolarHBondContact NZ-OE2 3.47Å; K618-H658 PolarHBondContact O-NE2 3.33Å
619Q91.4Very high92.3Very high79 Ų7923.7 Ų23.737%0.36913%0.125SC..THydrogen-bonded Turntrans-88.911.7-175.9-57.9-69.56.900113.8H585 M615 A616 H621H585-Q619 PolarHBondContact NE2-NE2 2.74Å; M615-Q619 WeakPolarHBondContact O-CB 3.26Å; M615-Q619 WeakPolarHBondContact O-CG 3.49Å; M615-Q619 PolarHBondContact O-N 2.86Å; M615-Q619 VanDerWaalsContact O-N 3.12Å; A616-Q619 PolarHBondContact O-N 3.36Å; Q619-H621 VanDerWaalsContact C-N 3.25Å; Q619-H621 VanDerWaalsContact CB-CE1 3.47Å; Q619-H621 WeakPolarHBondContact CB-CE1 3.36Å; Q619-H621 PolarHBondContact O-CD2 3.17Å; Q619-H621 PolarHBondContact O-N 3.27Å; Q619-H621 PolarHBondContact O-NE2 2.76Å
620N93.6Very high92.3Very high58 Ų5826.6 Ų26.631%0.3115%0.148SC..THydrogen-bonded Turntrans49.235.1-175-153.310.2000116A616 K618 L622 H658A616-N620 PolarHBondContact O-N 3.28Å; A616-N620 VanDerWaalsContact O-N 3.14Å; K618-N620 VanDerWaalsContact C-N 3.31Å; K618-N620 PolarHBondContact O-N 3.3Å; N620-L622 VanDerWaalsContact C-N 3.26Å; N620-L622 PolarHBondContact O-N 2.87Å; N620-H658 HydrophobicContact CB-CB 4.41Å; N620-H658 PolarHBondContact ND2-ND1 3.02Å
621H93.8Very high91.8Very high24 Ų2430.4 Ų30.411%0.11117%0.166CC..  trans-81.371-179.8-62.4161.3000111.2T584 A616 Q619 D623 I624 A625T584-H621 PolarHBondContact O-CE1 2.95Å; T584-H621 VanDerWaalsContact O-CE1 3.29Å; T584-H621 PolarHBondContact O-ND1 3.37Å; A616-H621 HydrophobicContact CB-CB 4.37Å; A616-H621 PolarHBondContact O-N 3.27Å; Q619-H621 VanDerWaalsContact C-N 3.25Å; Q619-H621 VanDerWaalsContact CB-CE1 3.47Å; Q619-H621 WeakPolarHBondContact CB-CE1 3.36Å; Q619-H621 PolarHBondContact O-CD2 3.17Å; Q619-H621 PolarHBondContact O-N 3.27Å; Q619-H621 PolarHBondContact O-NE2 2.76Å; H621-D623 PolarHBondContact O-N 2.58Å; H621-I624 HydrophobicContact CB-CB 4.05Å; H621-I624 HydrophobicContact CB-CD1 4.19Å; H621-I624 HydrophobicContact CB-CG1 4.44Å; H621-I624 CarbonylContact O-C 3.56Å; H621-I624 PolarHBondContact O-N 3.31Å; H621-A625 PolarHBondContact O-N 2.91Å
622L91.9Very high91.1Very high51 Ų5132.3 Ų32.327%0.26718%0.175SC..Hα-helixtrans-52-47.8-174.7-71.3166.5000113.8N620 I624 A625 T626 D660 M661 L664N620-L622 VanDerWaalsContact C-N 3.26Å; N620-L622 PolarHBondContact O-N 2.87Å; L622-I624 VanDerWaalsContact C-N 3.28Å; L622-I624 PolarHBondContact O-N 2.95Å; L622-A625 PolarHBondContact O-N 3.37Å; L622-T626 WeakPolarHBondContact O-CB 3.47Å; L622-T626 PolarHBondContact O-N 3.11Å; L622-T626 PolarHBondContact O-OG1 3.28Å; L622-D660 HydrophobicContact CD1-CB 3.94Å; L622-D660 HydrophobicContact CD2-CB 3.95Å; L622-M661 HydrophobicContact CD2-CB 4.08Å; L622-M661 HydrophobicContact CD2-CE 3.84Å; L622-M661 HydrophobicContact CD2-SD 4.34Å; L622-M661 HydrophobicContact CG-CE 4.17Å; L622-L664 HydrophobicContact CD2-CD2 4.49Å
623D92.8Very high89.9Confident109 Ų10938.4 Ų38.458%0.58322%0.218SC*.Hα-helixtrans-57.6-43.5177.5-62.6-22.5000111.6L589 H621 L627L589-D623 HydrophobicContact CD1-CB 4.11Å; L589-D623 HydrophobicContact CD2-CB 3.97Å; H621-D623 PolarHBondContact O-N 2.58Å; D623-L627 VanDerWaalsContact O-CB 3.23Å; D623-L627 WeakPolarHBondContact O-CB 3.29Å; D623-L627 PolarHBondContact O-N 2.89Å
624I93.8Very high89Confident0 Ų042.6 Ų42.60%024%0.24CC..Hα-helixtrans-72-43.3-179.8-66.1172.6000110.2T584 N587 L589 V592 A616 H621 L622 T626 L627 L628T584-I624 HydrophobicContact CG2-CG2 3.71Å; N587-I624 WeakPolarHBondContact OD1-CD1 3.13Å; L589-I624 HydrophobicContact CB-CD1 4.5Å; L589-I624 HydrophobicContact CB-CG1 4.26Å; L589-I624 HydrophobicContact CD1-CG1 3.74Å; V592-I624 HydrophobicContact CG1-CG2 4.07Å; V592-I624 HydrophobicContact CG2-CD1 4.08Å; V592-I624 HydrophobicContact CG2-CG1 4.39Å; V592-I624 HydrophobicContact CG2-CG2 4.35Å; A616-I624 HydrophobicContact CB-CG2 4.25Å; H621-I624 HydrophobicContact CB-CB 4.05Å; H621-I624 HydrophobicContact CB-CD1 4.19Å; H621-I624 HydrophobicContact CB-CG1 4.44Å; H621-I624 CarbonylContact O-C 3.56Å; H621-I624 PolarHBondContact O-N 3.31Å; L622-I624 VanDerWaalsContact C-N 3.28Å; L622-I624 PolarHBondContact O-N 2.95Å; I624-T626 VanDerWaalsContact C-N 3.33Å; I624-T626 PolarHBondContact O-N 3.43Å; I624-L627 PolarHBondContact O-N 3.38Å; I624-L628 HydrophobicContact CG2-CD1 3.61Å; I624-L628 HydrophobicContact CG2-CG 4.01Å; I624-L628 WeakPolarHBondContact O-CB 3.37Å; I624-L628 WeakPolarHBondContact O-CD1 3.44Å; I624-L628 WeakPolarHBondContact O-CG 3.29Å; I624-L628 PolarHBondContact O-N 2.96Å
625A92.6Very high88.1Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-59-45.2175.800000111.6L613 A616 H621 L622 L628 L629 M661 L664L613-A625 HydrophobicContact CD1-CB 3.98Å; A616-A625 HydrophobicContact CB-CB 4.03Å; H621-A625 PolarHBondContact O-N 2.91Å; L622-A625 PolarHBondContact O-N 3.37Å; A625-L628 PolarHBondContact O-N 3.28Å; A625-L629 WeakPolarHBondContact O-CB 3.42Å; A625-L629 WeakPolarHBondContact O-CD1 3.46Å; A625-L629 VanDerWaalsContact O-CG 3.27Å; A625-L629 WeakPolarHBondContact O-CG 3.31Å; A625-L629 PolarHBondContact O-N 3.33Å; A625-M661 HydrophobicContact CB-CE 3.74Å; A625-M661 HydrophobicContact CB-SD 3.51Å; A625-M661 VanDerWaalsContact CB-SD 3.51Å; A625-L664 HydrophobicContact CB-CD2 3.95Å
626T92.2Very high87.4Confident67 Ų6749.9 Ų49.941%0.41128%0.276SS..Hα-helixtrans-60.5-46.1175.4-54.30000111.2L622 I624 L629 A630L622-T626 WeakPolarHBondContact O-CB 3.47Å; L622-T626 PolarHBondContact O-N 3.11Å; L622-T626 PolarHBondContact O-OG1 3.28Å; I624-T626 VanDerWaalsContact C-N 3.33Å; I624-T626 PolarHBondContact O-N 3.43Å; T626-L629 PolarHBondContact O-N 3.24Å; T626-A630 WeakPolarHBondContact O-CB 3.23Å; T626-A630 PolarHBondContact O-N 2.93Å
627L91.5Very high86.9Confident31 Ų3156.1 Ų56.116%0.16231%0.305CS..Hα-helixtrans-68.7-37.6-179.2-163.6157.2000112L589 V592 Q593 L596 D623 I624 A630 H631L589-L627 HydrophobicContact CD1-CD1 3.83Å; V592-L627 HydrophobicContact CG1-CD2 4.38Å; Q593-L627 HydrophobicContact CB-CD1 4.21Å; Q593-L627 HydrophobicContact CG-CD1 4.42Å; L596-L627 HydrophobicContact CD1-CD2 3.29Å; D623-L627 VanDerWaalsContact O-CB 3.23Å; D623-L627 WeakPolarHBondContact O-CB 3.29Å; D623-L627 PolarHBondContact O-N 2.89Å; I624-L627 PolarHBondContact O-N 3.38Å; L627-A630 PolarHBondContact O-N 3.38Å; L627-H631 PolarHBondContact O-N 3.15Å; L627-H631 PolarHBondContact O-ND1 3.41Å
628L92.2Very high86.4Confident1 Ų156.4 Ų56.41%0.00531%0.307CS..Hα-helixtrans-65.1-44.6173.2-66.5166000111.3L580 T584 V592 L596 V602 A616 I624 A625 A630 H631 E632L580-L628 HydrophobicContact CD1-CD2 4.26Å; L580-L628 HydrophobicContact CD2-CD2 4.08Å; L580-L628 HydrophobicContact CG-CD2 4.37Å; T584-L628 HydrophobicContact CG2-CD1 4.37Å; V592-L628 HydrophobicContact CG1-CD2 4.46Å; L596-L628 HydrophobicContact CD1-CD2 3.94Å; L596-L628 HydrophobicContact CD2-CD2 4.48Å; V602-L628 HydrophobicContact CG1-CB 3.9Å; V602-L628 HydrophobicContact CG1-CD2 3.66Å; V602-L628 HydrophobicContact CG1-CG 4.29Å; A616-L628 HydrophobicContact CB-CD1 4.18Å; I624-L628 HydrophobicContact CG2-CD1 3.61Å; I624-L628 HydrophobicContact CG2-CG 4.01Å; I624-L628 WeakPolarHBondContact O-CB 3.37Å; I624-L628 WeakPolarHBondContact O-CD1 3.44Å; I624-L628 WeakPolarHBondContact O-CG 3.29Å; I624-L628 PolarHBondContact O-N 2.96Å; A625-L628 PolarHBondContact O-N 3.28Å; L628-A630 VanDerWaalsContact C-N 3.32Å; L628-A630 PolarHBondContact O-N 3.19Å; L628-H631 PolarHBondContact O-N 3.04Å; L628-E632 PolarHBondContact O-N 3.36Å
629L89.9Confident86Confident0 Ų054.6 Ų54.60%030%0.299CS..Hα-helixtrans-65.6-32.4175.9-73.5165.7000112.4L613 A625 T626 Q635 I638 L664 H668L613-L629 HydrophobicContact CD1-CD1 4.43Å; L613-L629 HydrophobicContact CD1-CG 4.21Å; L613-L629 HydrophobicContact CD2-CD2 3.86Å; L613-L629 HydrophobicContact CD2-CG 4.33Å; A625-L629 WeakPolarHBondContact O-CB 3.42Å; A625-L629 WeakPolarHBondContact O-CD1 3.46Å; A625-L629 VanDerWaalsContact O-CG 3.27Å; A625-L629 WeakPolarHBondContact O-CG 3.31Å; A625-L629 PolarHBondContact O-N 3.33Å; T626-L629 PolarHBondContact O-N 3.24Å; L629-Q635 WeakPolarHBondContact O-CG 3.36Å; L629-Q635 PolarHBondContact O-NE2 3.16Å; L629-I638 HydrophobicContact CD2-CG2 4.09Å; L629-L664 HydrophobicContact CD1-CD2 4.2Å; L629-L664 HydrophobicContact CD1-CG 4.04Å; L629-H668 HydrophobicContact CD1-CB 4.3Å; L629-H668 HydrophobicContact CD2-CB 4.19Å
630A86.8Confident86Confident72 Ų7252.6 Ų52.660%0.59529%0.291SS*.Hα-helixtrans-72.1-24.1176.800000114.1T626 L627 L628T626-A630 WeakPolarHBondContact O-CB 3.23Å; T626-A630 PolarHBondContact O-N 2.93Å; L627-A630 PolarHBondContact O-N 3.38Å; L628-A630 VanDerWaalsContact C-N 3.32Å; L628-A630 PolarHBondContact O-N 3.19Å
631H81.4Confident85.7Confident89 Ų8950.2 Ų50.241%0.41228%0.278SS..Hα-helixtrans-90.5-24.3-179.9-78.178.3000114.1L627 L628L627-H631 PolarHBondContact O-N 3.15Å; L627-H631 PolarHBondContact O-ND1 3.41Å; L628-H631 PolarHBondContact O-N 3.04Å
632E76Confident85.5Confident39 Ų3951.3 Ų51.318%0.18229%0.289CS..  trans-81.7125.4179.7-163.98415700111.2V602 L628 D634 Q635 I638V602-E632 WeakPolarHBondContact CG2-OE2 3.36Å; L628-E632 PolarHBondContact O-N 3.36Å; E632-D634 VanDerWaalsContact C-N 3.26Å; E632-D634 PolarHBondContact O-N 2.79Å; E632-Q635 WeakPolarHBondContact O-CG 3.46Å; E632-I638 HydrophobicContact CB-CG2 3.99Å; E632-I638 HydrophobicContact CG-CB 4.09Å; E632-I638 HydrophobicContact CG-CD1 4.21Å; E632-I638 HydrophobicContact CG-CG2 3.82Å
633S67.8Low85.4Confident128 Ų12849.3 Ų49.390%0.89528%0.279SS*.SBendtrans-70.8-18.1-178.660.20000114.7
634D75.8Confident85.2Confident89 Ų8951.1 Ų51.148%0.47628%0.278SS..  trans-125.963.8-175.1-148.9-27.8000110.1E632 I636 Q637 I638E632-D634 VanDerWaalsContact C-N 3.26Å; E632-D634 PolarHBondContact O-N 2.79Å; D634-I636 PolarHBondContact O-N 3.29Å; D634-I636 VanDerWaalsContact O-N 3.1Å; D634-Q637 HydrophobicContact CB-CB 4.42Å; D634-Q637 WeakPolarHBondContact O-CB 3.31Å; D634-Q637 PolarHBondContact O-N 2.94Å; D634-I638 PolarHBondContact O-N 3.48Å
635Q75Confident84.8Confident67 Ų6753.4 Ų53.431%0.31329%0.294SS..Hα-helixtrans-51.1-37.4-169.5-63.5-178.9-19.200113.7L629 E632 Q637 I638 A639 H668L629-Q635 WeakPolarHBondContact O-CG 3.36Å; L629-Q635 PolarHBondContact O-NE2 3.16Å; E632-Q635 WeakPolarHBondContact O-CG 3.46Å; Q635-Q637 VanDerWaalsContact C-N 3.3Å; Q635-Q637 PolarHBondContact O-N 3.36Å; Q635-I638 WeakPolarHBondContact O-CG2 3.44Å; Q635-I638 PolarHBondContact O-N 3.47Å; Q635-A639 VanDerWaalsContact O-CB 3.32Å; Q635-A639 WeakPolarHBondContact O-CB 3.17Å; Q635-A639 PolarHBondContact O-N 3.41Å; Q635-H668 PolarHBondContact OE1-CE1 3.02Å; Q635-H668 PolarHBondContact OE1-ND1 2.92Å
636I77.9Confident84.6Confident106 Ų10653.8 Ų53.854%0.54430%0.298SS..Hα-helixtrans-62.8-38.3178.9-56.3174.4000110.7D634 N640D634-I636 PolarHBondContact O-N 3.29Å; D634-I636 VanDerWaalsContact O-N 3.1Å; I636-N640 WeakPolarHBondContact O-CB 3.2Å; I636-N640 PolarHBondContact O-N 3.29Å; I636-N640 VanDerWaalsContact O-N 3.17Å; I636-N640 PolarHBondContact O-ND2 3.34Å
637Q82.6Confident84.6Confident131 Ų13150.9 Ų50.961%0.61228%0.279SS*.Hα-helixtrans-69.1-38.7179.9-170.9178.9-89.900111.9D634 Q635 N640 S641D634-Q637 HydrophobicContact CB-CB 4.42Å; D634-Q637 WeakPolarHBondContact O-CB 3.31Å; D634-Q637 PolarHBondContact O-N 2.94Å; Q635-Q637 VanDerWaalsContact C-N 3.3Å; Q635-Q637 PolarHBondContact O-N 3.36Å; Q637-N640 CarbonylContact O-C 3.58Å; Q637-S641 PolarHBondContact O-N 3.17Å
638I83Confident84.7Confident6 Ų649.4 Ų49.43%0.03127%0.272CS..Hα-helixtrans-79.9-36.5-179.4-164160.7000112.6V602 L613 L629 E632 D634 Q635 N640 S641V602-I638 HydrophobicContact CB-CD1 3.63Å; V602-I638 HydrophobicContact CG1-CD1 3.4Å; V602-I638 VanDerWaalsContact CG1-CD1 3.4Å; L613-I638 HydrophobicContact CD2-CG1 4.14Å; L613-I638 HydrophobicContact CD2-CG2 4.35Å; L629-I638 HydrophobicContact CD2-CG2 4.09Å; E632-I638 HydrophobicContact CB-CG2 3.99Å; E632-I638 HydrophobicContact CG-CB 4.09Å; E632-I638 HydrophobicContact CG-CD1 4.21Å; E632-I638 HydrophobicContact CG-CG2 3.82Å; D634-I638 PolarHBondContact O-N 3.48Å; Q635-I638 WeakPolarHBondContact O-CG2 3.44Å; Q635-I638 PolarHBondContact O-N 3.47Å; I638-N640 PolarHBondContact O-N 3.29Å; I638-S641 VanDerWaalsContact O-CB 3.26Å; I638-S641 WeakPolarHBondContact O-CB 3.34Å; I638-S641 PolarHBondContact O-N 2.83Å; I638-S641 PolarHBondContact O-OG 2.84Å
639A85.1Confident84.8Confident0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-62-32.1172.400000112.4Q635 A670Q635-A639 VanDerWaalsContact O-CB 3.32Å; Q635-A639 WeakPolarHBondContact O-CB 3.17Å; Q635-A639 PolarHBondContact O-N 3.41Å; A639-A670 HydrophobicContact CB-CB 4.25Å
640N89.6Confident85.1Confident36 Ų3649.4 Ų49.419%0.19327%0.271CS..THydrogen-bonded Turntrans-98.313.3173.8-66.1-75.8000113.9I636 Q637 I638 S642 G669 D671I636-N640 WeakPolarHBondContact O-CB 3.2Å; I636-N640 PolarHBondContact O-N 3.29Å; I636-N640 VanDerWaalsContact O-N 3.17Å; I636-N640 PolarHBondContact O-ND2 3.34Å; Q637-N640 CarbonylContact O-C 3.58Å; I638-N640 PolarHBondContact O-N 3.29Å; N640-S642 PolarHBondContact O-N 2.96Å; N640-G669 PolarHBondContact ND2-O 2.87Å; N640-D671 PolarHBondContact OD1-N 3.38Å
641S88.7Confident85.4Confident8 Ų846 Ų466%0.05624%0.243CC..  trans-63.8135174.863.70000109.9T611 H614 Q637 I638 T648 P649T611-S641 PolarHBondContact OG1-OG 2.73Å; H614-S641 PolarHBondContact CE1-O 3.12Å; H614-S641 PolarHBondContact CE1-OG 3.42Å; H614-S641 PolarHBondContact NE2-O 3.08Å; Q637-S641 PolarHBondContact O-N 3.17Å; I638-S641 VanDerWaalsContact O-CB 3.26Å; I638-S641 WeakPolarHBondContact O-CB 3.34Å; I638-S641 PolarHBondContact O-N 2.83Å; I638-S641 PolarHBondContact O-OG 2.84Å; S641-T648 WeakPolarHBondContact O-CA 3.13Å; S641-P649 VanDerWaalsContact O-CD 3.27Å; S641-P649 WeakPolarHBondContact O-CD 3.1Å
642S89.9Confident86Confident47 Ų4741.7 Ų41.733%0.32922%0.223SC..  trans-113.6146.3-176.953.30000113.7N640 F647N640-S642 PolarHBondContact O-N 2.96Å; S642-F647 CarbonylContact C-O 3.59Å; S642-F647 VanDerWaalsContact CA-O 3.31Å; S642-F647 WeakPolarHBondContact CA-O 3.1Å
643S90Very high86.9Confident9 Ų939.9 Ų39.96%0.06322%0.215CC..  trans-74.7178.1177.479.10000112.9S645 G646 F647S643-S645 PolarHBondContact O-N 3.48Å; S643-S645 PolarHBondContact OG-N 3.35Å; S643-S645 PolarHBondContact OG-OG 3.08Å; S643-G646 PolarHBondContact O-N 3.34Å; S643-G646 PolarHBondContact OG-N 3.42Å; S643-G646 VanDerWaalsContact OG-N 3.15Å; S643-F647 WeakPolarHBondContact CB-O 3.4Å; S643-F647 PolarHBondContact N-O 2.99Å; S643-F647 PolarHBondContact OG-N 3.09Å; S643-F647 PolarHBondContact OG-O 3.11Å
644R88.2Confident88.2Confident148 Ų14833.8 Ų33.856%0.55817%0.172SC*.THydrogen-bonded Turntrans-61.5-30172.8-170.1179.6-177.6120-1.1112.7G607 N608 K677 E835G607-R644 PolarHBondContact O-NH1 3.35Å; N608-R644 WeakPolarHBondContact O-CB 3.38Å; N608-R644 PolarHBondContact O-N 2.79Å; R644-K677 WeakPolarHBondContact O-CD 3.11Å; R644-K677 WeakPolarHBondContact O-CE 3.23Å; R644-K677 PolarHBondContact O-NZ 2.93Å; R644-E835 WeakPolarHBondContact CD-OE2 3.49Å; R644-E835 IonicContact NE-OE2 2.75Å; R644-E835 PolarHBondContact NE-OE2 3.44Å
645S84.8Confident89.1Confident47 Ų4730.9 Ų30.933%0.32916%0.156SC..THydrogen-bonded Turntrans-87.8-6.5172.552.80000113.8S643 F647 K677S643-S645 PolarHBondContact O-N 3.48Å; S643-S645 PolarHBondContact OG-N 3.35Å; S643-S645 PolarHBondContact OG-OG 3.08Å; S645-F647 WeakPolarHBondContact OG-CD2 3.5Å; S645-K677 VanDerWaalsContact O-CB 3.27Å; S645-K677 WeakPolarHBondContact O-CB 3.48Å; S645-K677 WeakPolarHBondContact O-CG 3.33Å; S645-K677 PolarHBondContact O-N 2.88Å
646G89.2Confident89.9Confident8 Ų830.8 Ų30.88%0.08216%0.155CC..SBendtrans86.49.2-179.300000114.8S643 S676S643-G646 PolarHBondContact O-N 3.34Å; S643-G646 PolarHBondContact OG-N 3.42Å; S643-G646 VanDerWaalsContact OG-N 3.15Å; G646-S676 WeakPolarHBondContact O-CA 3.49Å
647F91.6Very high90.5Very high7 Ų726.6 Ų26.63%0.03114%0.139CC..  trans-72.1146.5171.1-74-126.7000108.9H614 S642 S643 S645 H651 L652 L680 L685H614-F647 PolarHBondContact NE2-O 3.05Å; S642-F647 CarbonylContact C-O 3.59Å; S642-F647 VanDerWaalsContact CA-O 3.31Å; S642-F647 WeakPolarHBondContact CA-O 3.1Å; S643-F647 WeakPolarHBondContact CB-O 3.4Å; S643-F647 PolarHBondContact N-O 2.99Å; S643-F647 PolarHBondContact OG-N 3.09Å; S643-F647 PolarHBondContact OG-O 3.11Å; S645-F647 WeakPolarHBondContact OG-CD2 3.5Å; F647-H651 HydrophobicContact CB-CB 4Å; F647-H651 HydrophobicContact CD1-CB 3.75Å; F647-H651 HydrophobicContact CG-CB 4.18Å; F647-L652 HydrophobicContact CD1-CD2 4.24Å; F647-L680 HydrophobicContact CZ-CD1 4.37Å; F647-L685 HydrophobicContact CD1-CD1 4.03Å; F647-L685 HydrophobicContact CE1-CD1 3.67Å; F647-L685 HydrophobicContact CE1-CD2 4.18Å
648T94Very high91.1Very high0 Ų022 Ų220%012%0.117CC..  trans-108170.3172.8620000110.1S641 L650 H651 L652S641-T648 WeakPolarHBondContact O-CA 3.13Å; T648-L650 PolarHBondContact O-N 2.89Å; T648-L650 VanDerWaalsContact O-N 3.15Å; T648-H651 PolarHBondContact N-ND1 3.31Å; T648-H651 WeakPolarHBondContact O-CB 3.33Å; T648-H651 PolarHBondContact O-N 3.28Å; T648-H651 PolarHBondContact OG1-ND1 2.93Å; T648-L652 PolarHBondContact O-N 3.45Å
649P93.8Very high91.6Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-51.9-36.3171.7-28.235.7000112.9L613 A617 S641 H651 L652 A653 L665L613-P649 HydrophobicContact CB-CG 4.41Å; L613-P649 HydrophobicContact CD2-CB 4.49Å; L613-P649 HydrophobicContact CD2-CG 4.1Å; L613-P649 HydrophobicContact CG-CB 4.16Å; L613-P649 HydrophobicContact CG-CG 3.99Å; A617-P649 HydrophobicContact CB-CB 3.83Å; S641-P649 VanDerWaalsContact O-CD 3.27Å; S641-P649 WeakPolarHBondContact O-CD 3.1Å; P649-H651 PolarHBondContact O-N 3.3Å; P649-L652 PolarHBondContact O-N 2.88Å; P649-A653 PolarHBondContact O-N 2.89Å; P649-L665 HydrophobicContact CB-CD1 3.88Å; P649-L665 HydrophobicContact CB-CD2 3.98Å
650L95.4Very high92Very high0 Ų026.3 Ų26.30%014%0.142CC..Hα-helixtrans-66.2-32.2176.3-177.464.9000113.1T648 A654 V662 L665 L666 A670 P672 P682 L698T648-L650 PolarHBondContact O-N 2.89Å; T648-L650 VanDerWaalsContact O-N 3.15Å; L650-A654 WeakPolarHBondContact O-CB 3.21Å; L650-A654 PolarHBondContact O-N 3.09Å; L650-V662 HydrophobicContact CD1-CB 4.35Å; L650-V662 HydrophobicContact CD1-CG1 3.97Å; L650-V662 HydrophobicContact CD1-CG2 4.28Å; L650-L665 HydrophobicContact CB-CD1 4.49Å; L650-L665 HydrophobicContact CD1-CB 4.37Å; L650-L666 HydrophobicContact CD1-CD2 4.23Å; L650-L666 HydrophobicContact CD1-CG 4.07Å; L650-L666 HydrophobicContact CD2-CD2 3.76Å; L650-L666 HydrophobicContact CD2-CG 4.48Å; L650-A670 HydrophobicContact CB-CB 4.03Å; L650-A670 HydrophobicContact CD2-CB 3.82Å; L650-A670 HydrophobicContact CG-CB 4.41Å; L650-P672 HydrophobicContact CD2-CB 4.48Å; L650-P682 HydrophobicContact CD2-CG 4.07Å; L650-P682 HydrophobicContact CG-CB 4.31Å; L650-P682 HydrophobicContact CG-CG 4.03Å; L650-L698 HydrophobicContact CD1-CD2 4.28Å; L650-L698 HydrophobicContact CD2-CD2 4.28Å; L650-L698 HydrophobicContact CG-CD2 4.47Å
651H94.4Very high92.2Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-65.2-41.9172.9-75.572.4000111.1F647 T648 P649 Q655 H674 L685F647-H651 HydrophobicContact CB-CB 4Å; F647-H651 HydrophobicContact CD1-CB 3.75Å; F647-H651 HydrophobicContact CG-CB 4.18Å; T648-H651 PolarHBondContact N-ND1 3.31Å; T648-H651 WeakPolarHBondContact O-CB 3.33Å; T648-H651 PolarHBondContact O-N 3.28Å; T648-H651 PolarHBondContact OG1-ND1 2.93Å; P649-H651 PolarHBondContact O-N 3.3Å; H651-Q655 WeakPolarHBondContact O-CB 3.41Å; H651-Q655 PolarHBondContact O-N 2.95Å; H651-H674 PolarHBondContact CE1-O 2.96Å; H651-H674 VanDerWaalsContact CE1-O 3.23Å; H651-H674 PolarHBondContact NE2-O 3.22Å; H651-L685 HydrophobicContact CB-CD1 3.76Å; H651-L685 WeakPolarHBondContact O-CD1 3.24Å
652L93.9Very high92.5Very high0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-70.6-48.5180-59.5177.6000110.8Y610 H614 K618 F647 T648 P649 A654 Q655 E656Y610-L652 HydrophobicContact CE1-CD1 4.25Å; Y610-L652 HydrophobicContact CE2-CD1 3.98Å; H614-L652 HydrophobicContact CB-CD1 3.91Å; K618-L652 HydrophobicContact CB-CB 4.31Å; K618-L652 HydrophobicContact CB-CD1 4.39Å; F647-L652 HydrophobicContact CD1-CD2 4.24Å; T648-L652 PolarHBondContact O-N 3.45Å; P649-L652 PolarHBondContact O-N 2.88Å; L652-A654 PolarHBondContact O-N 3.46Å; L652-Q655 PolarHBondContact O-N 2.88Å; L652-E656 VanDerWaalsContact O-CG 3.27Å; L652-E656 WeakPolarHBondContact O-CG 3.16Å; L652-E656 PolarHBondContact O-N 2.84Å
653A95.2Very high92.7Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-57.9-35175.500000112.6A617 P649 G657 H658 M661 V662 L665A617-A653 HydrophobicContact CB-CB 4.44Å; P649-A653 PolarHBondContact O-N 2.89Å; A653-G657 PolarHBondContact O-N 2.88Å; A653-H658 PolarHBondContact O-N 3.41Å; A653-H658 VanDerWaalsContact O-N 3.08Å; A653-M661 HydrophobicContact CB-CB 4.08Å; A653-M661 HydrophobicContact CB-CG 3.69Å; A653-V662 HydrophobicContact CB-CG2 3.69Å; A653-L665 HydrophobicContact CB-CD1 3.96Å
654A94.8Very high92.9Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-79.1-20.4176.300000114.9L650 L652 V662 P682 A686 V694 L698L650-A654 WeakPolarHBondContact O-CB 3.21Å; L650-A654 PolarHBondContact O-N 3.09Å; L652-A654 PolarHBondContact O-N 3.46Å; A654-V662 HydrophobicContact CB-CG2 4.33Å; A654-P682 HydrophobicContact CB-CB 3.92Å; A654-A686 WeakPolarHBondContact O-CA 3.26Å; A654-A686 PolarHBondContact O-N 3.32Å; A654-V694 HydrophobicContact CB-CG1 3.72Å; A654-L698 HydrophobicContact CB-CD1 4.25Å
655Q93.1Very high93.2Very high28 Ų2815.8 Ų15.813%0.1319%0.092CC..Hα-helixtrans-80.5-35.9174-178.1174.2-8.400112.1H651 L652 L685 H691H651-Q655 WeakPolarHBondContact O-CB 3.41Å; H651-Q655 PolarHBondContact O-N 2.95Å; L652-Q655 PolarHBondContact O-N 2.88Å; Q655-L685 HydrophobicContact CB-CB 3.99Å; Q655-L685 HydrophobicContact CB-CD1 4.29Å; Q655-L685 HydrophobicContact CG-CB 4.48Å; Q655-H691 PolarHBondContact O-NE2 3.01Å
656E92.2Very high93.6Very high65 Ų6514.9 Ų14.930%0.3048%0.083SC..THydrogen-bonded Turntrans-96.43.4-174.7-43.1-81142.600112.8K618 L652 H658K618-E656 HydrophobicContact CG-CG 4.01Å; K618-E656 IonicContact NZ-OE1 3.9Å; K618-E656 PolarHBondContact NZ-OE1 2.89Å; K618-E656 IonicContact NZ-OE2 2.74Å; K618-E656 PolarHBondContact NZ-OE2 3.47Å; L652-E656 VanDerWaalsContact O-CG 3.27Å; L652-E656 WeakPolarHBondContact O-CG 3.16Å; L652-E656 PolarHBondContact O-N 2.84Å; E656-H658 WeakPolarHBondContact CB-NE2 3.26Å; E656-H658 PolarHBondContact O-CE1 3.39Å
657G91.7Very high93.6Very high19 Ų1919.6 Ų19.620%0.19610%0.103CC..THydrogen-bonded Turntrans85.15.3172.100000116.4A653 T659 H691A653-G657 PolarHBondContact O-N 2.88Å; G657-T659 PolarHBondContact O-N 3.48Å; G657-H691 WeakPolarHBondContact CA-CD2 3.42Å; G657-H691 WeakPolarHBondContact CA-NE2 3.29Å; G657-H691 PolarHBondContact N-CD2 3.47Å; G657-H691 PolarHBondContact N-NE2 2.98Å
658H94.8Very high93.5Very high35 Ų3521.7 Ų21.716%0.16211%0.113CC..  trans-74.682-169.8-57.6-36.8000112.9A617 K618 N620 A653 E656 D660 M661 V662A617-H658 PolarHBondContact O-CD2 3.37Å; K618-H658 PolarHBondContact O-NE2 3.33Å; N620-H658 HydrophobicContact CB-CB 4.41Å; N620-H658 PolarHBondContact ND2-ND1 3.02Å; A653-H658 PolarHBondContact O-N 3.41Å; A653-H658 VanDerWaalsContact O-N 3.08Å; E656-H658 WeakPolarHBondContact CB-NE2 3.26Å; E656-H658 PolarHBondContact O-CE1 3.39Å; H658-D660 VanDerWaalsContact C-N 3.32Å; H658-D660 PolarHBondContact O-N 3.04Å; H658-M661 HydrophobicContact CB-CB 3.73Å; H658-M661 WeakPolarHBondContact O-CB 3.34Å; H658-M661 PolarHBondContact O-N 3.45Å; H658-M661 VanDerWaalsContact O-N 3.17Å; H658-V662 WeakPolarHBondContact O-CG2 3.37Å; H658-V662 PolarHBondContact O-N 2.87Å
659T93.1Very high93.3Very high39 Ų3923.2 Ų23.224%0.23913%0.129CC..Hα-helixtrans-45.3-52.5-179.748.30000113.1G657 M661 V662 S663 V694 I697G657-T659 PolarHBondContact O-N 3.48Å; T659-M661 VanDerWaalsContact C-N 3.32Å; T659-M661 PolarHBondContact O-N 3.15Å; T659-V662 WeakPolarHBondContact O-CB 3.46Å; T659-V662 PolarHBondContact O-N 3.24Å; T659-S663 PolarHBondContact O-N 3.15Å; T659-S663 PolarHBondContact O-OG 3.17Å; T659-V694 HydrophobicContact CG2-CG2 4.33Å; T659-I697 HydrophobicContact CG2-CD1 4.06Å
660D93.3Very high93.2Very high56 Ų5623.5 Ų23.530%0.29913%0.131SC..Hα-helixtrans-71-33-171.3-62.619.2000111.1L622 H658 L664 T1580L622-D660 HydrophobicContact CD1-CB 3.94Å; L622-D660 HydrophobicContact CD2-CB 3.95Å; H658-D660 VanDerWaalsContact C-N 3.32Å; H658-D660 PolarHBondContact O-N 3.04Å; D660-L664 VanDerWaalsContact O-CB 3.3Å; D660-L664 WeakPolarHBondContact O-CB 3.46Å; D660-L664 PolarHBondContact O-N 3.25Å; D660-T1580 WeakPolarHBondContact OD2-CG2 3.27Å
661M94.8Very high93.1Very high0 Ų026.6 Ų26.60%015%0.148CC..Hα-helixtrans-72.1-39.1174.1-173.268.367.800111.2A616 A617 L622 A625 A653 H658 T659 L664 L665A616-M661 WeakPolarHBondContact O-CE 3.43Å; A617-M661 HydrophobicContact CB-CG 4.1Å; A617-M661 HydrophobicContact CB-SD 4.29Å; L622-M661 HydrophobicContact CD2-CB 4.08Å; L622-M661 HydrophobicContact CD2-CE 3.84Å; L622-M661 HydrophobicContact CD2-SD 4.34Å; L622-M661 HydrophobicContact CG-CE 4.17Å; A625-M661 HydrophobicContact CB-CE 3.74Å; A625-M661 HydrophobicContact CB-SD 3.51Å; A625-M661 VanDerWaalsContact CB-SD 3.51Å; A653-M661 HydrophobicContact CB-CB 4.08Å; A653-M661 HydrophobicContact CB-CG 3.69Å; H658-M661 HydrophobicContact CB-CB 3.73Å; H658-M661 WeakPolarHBondContact O-CB 3.34Å; H658-M661 PolarHBondContact O-N 3.45Å; H658-M661 VanDerWaalsContact O-N 3.17Å; T659-M661 VanDerWaalsContact C-N 3.32Å; T659-M661 PolarHBondContact O-N 3.15Å; M661-L664 PolarHBondContact O-N 3.45Å; M661-L664 HydrophobicContact SD-CD2 4.41Å; M661-L665 HydrophobicContact CG-CD1 4.05Å; M661-L665 WeakPolarHBondContact O-CB 3.19Å; M661-L665 WeakPolarHBondContact O-CD1 3.33Å; M661-L665 WeakPolarHBondContact O-CG 3.35Å; M661-L665 PolarHBondContact O-N 3.33Å
662V95.2Very high93Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-61.1-49.1172.4167.10000109.9L650 A653 A654 H658 T659 L665 L666 V694 I697 L698L650-V662 HydrophobicContact CD1-CB 4.35Å; L650-V662 HydrophobicContact CD1-CG1 3.97Å; L650-V662 HydrophobicContact CD1-CG2 4.28Å; A653-V662 HydrophobicContact CB-CG2 3.69Å; A654-V662 HydrophobicContact CB-CG2 4.33Å; H658-V662 WeakPolarHBondContact O-CG2 3.37Å; H658-V662 PolarHBondContact O-N 2.87Å; T659-V662 WeakPolarHBondContact O-CB 3.46Å; T659-V662 PolarHBondContact O-N 3.24Å; V662-L665 PolarHBondContact O-N 3.4Å; V662-L666 HydrophobicContact CG1-CD1 3.67Å; V662-L666 HydrophobicContact CG1-CG 4.45Å; V662-L666 WeakPolarHBondContact O-CB 3.3Å; V662-L666 WeakPolarHBondContact O-CD1 3.32Å; V662-L666 WeakPolarHBondContact O-CG 3.37Å; V662-L666 PolarHBondContact O-N 3.18Å; V662-V694 HydrophobicContact CG1-CG1 4.48Å; V662-V694 HydrophobicContact CG2-CG1 4.16Å; V662-V694 HydrophobicContact CG2-CG2 4.38Å; V662-I697 HydrophobicContact CG1-CB 4.46Å; V662-I697 HydrophobicContact CG1-CG2 3.88Å; V662-L698 HydrophobicContact CG1-CD2 4.44Å
663S94.2Very high93Very high7 Ų729.1 Ų29.15%0.04916%0.162CC..Hα-helixtrans-58.1-49.2174.7-71.40000112.3T659 L665 L666 Q667 D1582T659-S663 PolarHBondContact O-N 3.15Å; T659-S663 PolarHBondContact O-OG 3.17Å; S663-L665 PolarHBondContact O-N 2.87Å; S663-L666 PolarHBondContact O-N 3.16Å; S663-Q667 WeakPolarHBondContact O-CB 3.41Å; S663-Q667 WeakPolarHBondContact O-CG 3.18Å; S663-Q667 PolarHBondContact O-N 2.99Å; S663-D1582 WeakPolarHBondContact CB-OD2 3.4Å; S663-D1582 PolarHBondContact OG-OD2 2.84Å
664L93.1Very high92.9Very high21 Ų2131.6 Ų31.611%0.1117%0.173CC..Hα-helixtrans-57.1-47.7177.4-179.368000112L622 A625 L629 D660 M661 L666 Q667 H668L622-L664 HydrophobicContact CD2-CD2 4.49Å; A625-L664 HydrophobicContact CB-CD2 3.95Å; L629-L664 HydrophobicContact CD1-CD2 4.2Å; L629-L664 HydrophobicContact CD1-CG 4.04Å; D660-L664 VanDerWaalsContact O-CB 3.3Å; D660-L664 WeakPolarHBondContact O-CB 3.46Å; D660-L664 PolarHBondContact O-N 3.25Å; M661-L664 PolarHBondContact O-N 3.45Å; M661-L664 HydrophobicContact SD-CD2 4.41Å; L664-L666 PolarHBondContact O-N 3.28Å; L664-Q667 PolarHBondContact O-N 3.36Å; L664-H668 PolarHBondContact O-CD2 3.33Å; L664-H668 VanDerWaalsContact O-CD2 3.32Å; L664-H668 PolarHBondContact O-N 3.36Å
665L93.9Very high92.7Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-66.3-37.3-180-71.8168.3000112.5L613 A617 P649 L650 A653 M661 V662 S663 H668 G669 A670L613-L665 HydrophobicContact CD1-CD2 4.32Å; L613-L665 HydrophobicContact CD2-CD2 4.07Å; L613-L665 HydrophobicContact CG-CD2 4.32Å; A617-L665 HydrophobicContact CB-CD1 4.14Å; P649-L665 HydrophobicContact CB-CD1 3.88Å; P649-L665 HydrophobicContact CB-CD2 3.98Å; L650-L665 HydrophobicContact CB-CD1 4.49Å; L650-L665 HydrophobicContact CD1-CB 4.37Å; A653-L665 HydrophobicContact CB-CD1 3.96Å; M661-L665 HydrophobicContact CG-CD1 4.05Å; M661-L665 WeakPolarHBondContact O-CB 3.19Å; M661-L665 WeakPolarHBondContact O-CD1 3.33Å; M661-L665 WeakPolarHBondContact O-CG 3.35Å; M661-L665 PolarHBondContact O-N 3.33Å; V662-L665 PolarHBondContact O-N 3.4Å; S663-L665 PolarHBondContact O-N 2.87Å; L665-H668 CarbonylContact O-C 3.59Å; L665-H668 PolarHBondContact O-N 2.92Å; L665-G669 PolarHBondContact O-N 2.99Å; L665-A670 HydrophobicContact CB-CB 4.18Å; L665-A670 WeakPolarHBondContact O-CB 3.32Å; L665-A670 PolarHBondContact O-N 3.19Å
666L93.2Very high92.5Very high27 Ų2735.2 Ų35.214%0.14119%0.191CC..Hα-helixtrans-69.4-40.9175.5-69.7167.2000111.8L650 V662 S663 L664 H668 G669 P672 I697 L698 A701L650-L666 HydrophobicContact CD1-CD2 4.23Å; L650-L666 HydrophobicContact CD1-CG 4.07Å; L650-L666 HydrophobicContact CD2-CD2 3.76Å; L650-L666 HydrophobicContact CD2-CG 4.48Å; V662-L666 HydrophobicContact CG1-CD1 3.67Å; V662-L666 HydrophobicContact CG1-CG 4.45Å; V662-L666 WeakPolarHBondContact O-CB 3.3Å; V662-L666 WeakPolarHBondContact O-CD1 3.32Å; V662-L666 WeakPolarHBondContact O-CG 3.37Å; V662-L666 PolarHBondContact O-N 3.18Å; S663-L666 PolarHBondContact O-N 3.16Å; L664-L666 PolarHBondContact O-N 3.28Å; L666-H668 VanDerWaalsContact C-N 3.27Å; L666-H668 PolarHBondContact O-N 3.4Å; L666-G669 PolarHBondContact O-N 2.78Å; L666-P672 HydrophobicContact CD2-CB 4Å; L666-P672 HydrophobicContact CD2-CG 4.27Å; L666-I697 HydrophobicContact CD1-CG2 3.75Å; L666-L698 HydrophobicContact CD1-CD2 4.41Å; L666-A701 HydrophobicContact CD1-CB 3.89Å; L666-A701 HydrophobicContact CD2-CB 3.97Å; L666-A701 HydrophobicContact CG-CB 4.4Å
667Q90.6Very high92.4Very high108 Ų10838 Ų3851%0.50520%0.203SC..Hα-helixtrans-62.3-33.8174.8-71.6170.316.600111.9S663 L664 G669 D1582S663-Q667 WeakPolarHBondContact O-CB 3.41Å; S663-Q667 WeakPolarHBondContact O-CG 3.18Å; S663-Q667 PolarHBondContact O-N 2.99Å; L664-Q667 PolarHBondContact O-N 3.36Å; Q667-G669 VanDerWaalsContact C-N 3.32Å; Q667-D1582 PolarHBondContact NE2-OD1 3.46Å
668H89.1Confident92Very high50 Ų5038.4 Ų38.423%0.23120%0.2CC..THydrogen-bonded Turntrans-87.913.3171.2-72.9-79.5000114.7L629 Q635 L664 L665 L666L629-H668 HydrophobicContact CD1-CB 4.3Å; L629-H668 HydrophobicContact CD2-CB 4.19Å; Q635-H668 PolarHBondContact OE1-CE1 3.02Å; Q635-H668 PolarHBondContact OE1-ND1 2.92Å; L664-H668 PolarHBondContact O-CD2 3.33Å; L664-H668 VanDerWaalsContact O-CD2 3.32Å; L664-H668 PolarHBondContact O-N 3.36Å; L665-H668 CarbonylContact O-C 3.59Å; L665-H668 PolarHBondContact O-N 2.92Å; L666-H668 VanDerWaalsContact C-N 3.27Å; L666-H668 PolarHBondContact O-N 3.4Å
669G88.7Confident91.7Very high33 Ų3337 Ų3734%0.3420%0.195SC..THydrogen-bonded Turntrans90.423164.700000116.8N640 L665 L666 Q667N640-G669 PolarHBondContact ND2-O 2.87Å; L665-G669 PolarHBondContact O-N 2.99Å; L666-G669 PolarHBondContact O-N 2.78Å; Q667-G669 VanDerWaalsContact C-N 3.32Å
670A92.6Very high91.6Very high6 Ų635.4 Ų35.45%0.0519%0.185CC..  trans-63.4138.4168.200000111.9A639 L650 L665 P672A639-A670 HydrophobicContact CB-CB 4.25Å; L650-A670 HydrophobicContact CB-CB 4.03Å; L650-A670 HydrophobicContact CD2-CB 3.82Å; L650-A670 HydrophobicContact CG-CB 4.41Å; L665-A670 HydrophobicContact CB-CB 4.18Å; L665-A670 WeakPolarHBondContact O-CB 3.32Å; L665-A670 PolarHBondContact O-N 3.19Å; A670-P672 VanDerWaalsContact O-CD 3.29Å; A670-P672 WeakPolarHBondContact O-CD 3.31Å
671D92.6Very high91.5Very high64 Ų6432.9 Ų32.934%0.34217%0.171SC..  trans-80.6112.3178.7174.217.2000111.6N640 N673 H674N640-D671 PolarHBondContact OD1-N 3.38Å; D671-N673 PolarHBondContact O-N 3.19Å; D671-N673 VanDerWaalsContact O-N 3.13Å; D671-N673 WeakPolarHBondContact OD1-CA 3.3Å; D671-N673 WeakPolarHBondContact OD1-CB 3.45Å; D671-N673 PolarHBondContact OD1-N 3.34Å; D671-H674 HydrophobicContact CB-CB 4.22Å; D671-H674 WeakPolarHBondContact O-CB 3.2Å; D671-H674 PolarHBondContact O-N 3.12Å; D671-H674 PolarHBondContact OD2-N 2.91Å
672P93.5Very high91.5Very high14 Ų1432.9 Ų32.99%0.09117%0.171CC..THydrogen-bonded Turntrans-69.1-8.1178.429.6-34.9000113.7L650 L666 A670 L698 A701 A703L650-P672 HydrophobicContact CD2-CB 4.48Å; L666-P672 HydrophobicContact CD2-CB 4Å; L666-P672 HydrophobicContact CD2-CG 4.27Å; A670-P672 VanDerWaalsContact O-CD 3.29Å; A670-P672 WeakPolarHBondContact O-CD 3.31Å; P672-L698 HydrophobicContact CB-CD2 3.91Å; P672-A701 HydrophobicContact CG-CB 4.34Å; P672-A703 HydrophobicContact CB-CB 4.16Å
673N92.9Very high91.5Very high40 Ų4033 Ų3321%0.21417%0.172CC..THydrogen-bonded Turntrans-105.63.8176.9-64.6-88.7000113.5D671 Q675 G702 K704D671-N673 PolarHBondContact O-N 3.19Å; D671-N673 VanDerWaalsContact O-N 3.13Å; D671-N673 WeakPolarHBondContact OD1-CA 3.3Å; D671-N673 WeakPolarHBondContact OD1-CB 3.45Å; D671-N673 PolarHBondContact OD1-N 3.34Å; N673-Q675 PolarHBondContact O-N 2.89Å; N673-G702 PolarHBondContact ND2-O 3.41Å; N673-K704 VanDerWaalsContact OD1-CD 3.28Å; N673-K704 WeakPolarHBondContact OD1-CD 3.49Å; N673-K704 WeakPolarHBondContact OD1-CG 3.39Å; N673-K704 PolarHBondContact OD1-N 2.74Å
674H92.7Very high91.4Very high51 Ų5132.7 Ų32.724%0.23617%0.17CC..  trans-59133.1179.5-159.898.7000110H651 D671 P682H651-H674 PolarHBondContact CE1-O 2.96Å; H651-H674 VanDerWaalsContact CE1-O 3.23Å; H651-H674 PolarHBondContact NE2-O 3.22Å; D671-H674 HydrophobicContact CB-CB 4.22Å; D671-H674 WeakPolarHBondContact O-CB 3.2Å; D671-H674 PolarHBondContact O-N 3.12Å; D671-H674 PolarHBondContact OD2-N 2.91Å; H674-P682 WeakPolarHBondContact O-CD 3.29Å
675Q90.8Very high91.4Very high96 Ų9631.9 Ų31.945%0.44917%0.166SC..  trans-110.2130.7179.8-67.9-168.1-83.600111.5N673 G679 L680 A681 L708N673-Q675 PolarHBondContact O-N 2.89Å; Q675-G679 PolarHBondContact NE2-O 3.06Å; Q675-L680 CarbonylContact C-O 3.55Å; Q675-L680 VanDerWaalsContact CA-O 3.26Å; Q675-L680 WeakPolarHBondContact CA-O 3.19Å; Q675-A681 HydrophobicContact CG-CB 4.34Å; Q675-L708 PolarHBondContact NE2-O 3.47Å
676S90.5Very high91.5Very high8 Ų831.9 Ų31.96%0.05617%0.166CC..  trans-68.2178.2174.2830000112.3G646 N678 G679 L680G646-S676 WeakPolarHBondContact O-CA 3.49Å; S676-N678 PolarHBondContact O-N 3.34Å; S676-N678 PolarHBondContact OG-N 2.82Å; S676-N678 PolarHBondContact OG-OD1 3.35Å; S676-G679 PolarHBondContact O-N 3.31Å; S676-L680 PolarHBondContact N-O 2.77Å
677K88.7Confident91.5Very high125 Ų12530.6 Ų30.654%0.54316%0.159SC..THydrogen-bonded Turntrans-63.5-22.9-178.6-72.4-178.2176.8177.70114.6R644 S645 R710R644-K677 WeakPolarHBondContact O-CD 3.11Å; R644-K677 WeakPolarHBondContact O-CE 3.23Å; R644-K677 PolarHBondContact O-NZ 2.93Å; S645-K677 VanDerWaalsContact O-CB 3.27Å; S645-K677 WeakPolarHBondContact O-CB 3.48Å; S645-K677 WeakPolarHBondContact O-CG 3.33Å; S645-K677 PolarHBondContact O-N 2.88Å; K677-R710 WeakPolarHBondContact O-CD 3.46Å; K677-R710 PolarHBondContact O-NE 3.02Å; K677-R710 PolarHBondContact O-NH1 2.75Å; K677-R710 VanDerWaalsContact O-NH1 3.08Å; K677-R710 PolarHBondContact O-NH2 3.45Å
678N83.1Confident91.5Very high26 Ų2626.4 Ų26.414%0.13914%0.139CC..THydrogen-bonded Turntrans-95.2-5.2174.465.520.3000112.8S676 L680 R710 E830S676-N678 PolarHBondContact O-N 3.34Å; S676-N678 PolarHBondContact OG-N 2.82Å; S676-N678 PolarHBondContact OG-OD1 3.35Å; N678-L680 WeakPolarHBondContact ND2-CD1 3.41Å; N678-L680 WeakPolarHBondContact OD1-CB 3.22Å; N678-L680 WeakPolarHBondContact OD1-CD1 3.13Å; N678-L680 WeakPolarHBondContact OD1-CG 3.27Å; N678-L680 PolarHBondContact OD1-N 2.91Å; N678-R710 WeakPolarHBondContact O-CB 3.24Å; N678-R710 WeakPolarHBondContact O-CG 3.4Å; N678-R710 PolarHBondContact O-N 2.7Å; N678-E830 PolarHBondContact ND2-OE2 2.98Å
679G88.1Confident91.6Very high5 Ų527.6 Ų27.65%0.05215%0.145CC..SBendtrans923.4178.900000114.7Q675 S676Q675-G679 PolarHBondContact NE2-O 3.06Å; S676-G679 PolarHBondContact O-N 3.31Å
680L91Very high91.9Very high7 Ų727.8 Ų27.84%0.03714%0.138CC..  trans-57.8149.9163.9-67.1167.4000109.7F647 Q675 S676 N678 H684 L685 T709F647-L680 HydrophobicContact CZ-CD1 4.37Å; Q675-L680 CarbonylContact C-O 3.55Å; Q675-L680 VanDerWaalsContact CA-O 3.26Å; Q675-L680 WeakPolarHBondContact CA-O 3.19Å; S676-L680 PolarHBondContact N-O 2.77Å; N678-L680 WeakPolarHBondContact ND2-CD1 3.41Å; N678-L680 WeakPolarHBondContact OD1-CB 3.22Å; N678-L680 WeakPolarHBondContact OD1-CD1 3.13Å; N678-L680 WeakPolarHBondContact OD1-CG 3.27Å; N678-L680 PolarHBondContact OD1-N 2.91Å; L680-H684 HydrophobicContact CB-CB 4.44Å; L680-H684 HydrophobicContact CD2-CB 3.55Å; L680-L685 HydrophobicContact CD1-CD2 4.28Å; L680-T709 HydrophobicContact CD2-CG2 3.91Å; L680-T709 HydrophobicContact CG-CG2 4.43Å
681A93.1Very high92Very high2 Ų229.7 Ų29.72%0.01715%0.146CC..  trans-130.3165.7174.100000107.4Q675 L683 H684 L685Q675-A681 HydrophobicContact CG-CB 4.34Å; A681-L683 PolarHBondContact O-N 2.83Å; A681-L683 VanDerWaalsContact O-N 3.07Å; A681-H684 PolarHBondContact N-ND1 2.82Å; A681-H684 WeakPolarHBondContact O-CB 3.36Å; A681-H684 PolarHBondContact O-N 2.85Å; A681-L685 PolarHBondContact O-N 2.81Å
682P93.9Very high92Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-50.9-38.7-178.7-29.836.6000113.9L650 A654 H674 H684 L685 A686 L698L650-P682 HydrophobicContact CD2-CG 4.07Å; L650-P682 HydrophobicContact CG-CB 4.31Å; L650-P682 HydrophobicContact CG-CG 4.03Å; A654-P682 HydrophobicContact CB-CB 3.92Å; H674-P682 WeakPolarHBondContact O-CD 3.29Å; P682-H684 VanDerWaalsContact C-N 3.32Å; P682-H684 PolarHBondContact O-N 2.84Å; P682-L685 PolarHBondContact O-N 3.14Å; P682-L685 VanDerWaalsContact O-N 3.17Å; P682-A686 PolarHBondContact O-N 2.9Å; P682-L698 HydrophobicContact CB-CD1 3.81Å; P682-L698 HydrophobicContact CB-CD2 3.94Å
683L94.4Very high92Very high3 Ų328.9 Ų28.92%0.01615%0.146CC..Hα-helixtrans-66-27.2177-174.262.6000114.1A681 A687 A695 L698 K704 P715A681-L683 PolarHBondContact O-N 2.83Å; A681-L683 VanDerWaalsContact O-N 3.07Å; L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 3.04Å; L683-A695 HydrophobicContact CD1-CB 3.59Å; L683-L698 HydrophobicContact CB-CD1 4.38Å; L683-K704 WeakPolarHBondContact CD2-O 3.32Å; L683-P715 HydrophobicContact CB-CG 4.5Å; L683-P715 HydrophobicContact CD2-CB 4.5Å; L683-P715 HydrophobicContact CD2-CG 4.05Å; L683-P715 HydrophobicContact CG-CB 4.2Å; L683-P715 HydrophobicContact CG-CG 3.98Å
684H93.5Very high92.1Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-69.7-36173.2-74.9102.2000111.8L680 A681 P682 A687 Q688 P707 Y713 P715L680-H684 HydrophobicContact CB-CB 4.44Å; L680-H684 HydrophobicContact CD2-CB 3.55Å; A681-H684 PolarHBondContact N-ND1 2.82Å; A681-H684 WeakPolarHBondContact O-CB 3.36Å; A681-H684 PolarHBondContact O-N 2.85Å; P682-H684 VanDerWaalsContact C-N 3.32Å; P682-H684 PolarHBondContact O-N 2.84Å; H684-A687 CarbonylContact O-C 3.6Å; H684-A687 PolarHBondContact O-N 2.92Å; H684-Q688 PolarHBondContact O-N 3.45Å; H684-P707 PolarHBondContact CE1-O 3.19Å; H684-P707 PolarHBondContact NE2-O 2.73Å; H684-Y713 PolarHBondContact NE2-O 2.88Å; H684-P715 WeakPolarHBondContact NE2-CD 3.32Å
685L93.3Very high92.1Very high4 Ų424.6 Ų24.62%0.02112%0.124CC..Hα-helixtrans-75.4-44.1179.9-62.9169.6000110.6F647 H651 Q655 L680 A681 P682 A687 Q688 E689F647-L685 HydrophobicContact CD1-CD1 4.03Å; F647-L685 HydrophobicContact CE1-CD1 3.67Å; F647-L685 HydrophobicContact CE1-CD2 4.18Å; H651-L685 HydrophobicContact CB-CD1 3.76Å; H651-L685 WeakPolarHBondContact O-CD1 3.24Å; Q655-L685 HydrophobicContact CB-CB 3.99Å; Q655-L685 HydrophobicContact CB-CD1 4.29Å; Q655-L685 HydrophobicContact CG-CB 4.48Å; L680-L685 HydrophobicContact CD1-CD2 4.28Å; A681-L685 PolarHBondContact O-N 2.81Å; P682-L685 PolarHBondContact O-N 3.14Å; P682-L685 VanDerWaalsContact O-N 3.17Å; L685-A687 PolarHBondContact O-N 3.04Å; L685-Q688 VanDerWaalsContact O-CB 3.28Å; L685-Q688 WeakPolarHBondContact O-CB 3.45Å; L685-Q688 PolarHBondContact O-N 2.83Å; L685-E689 PolarHBondContact O-N 2.87Å
686A94.3Very high92.2Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-57.2-36.8170.200000112.1A654 P682 Q688 D690 H691 V694 L698 M727A654-A686 WeakPolarHBondContact O-CA 3.26Å; A654-A686 PolarHBondContact O-N 3.32Å; P682-A686 PolarHBondContact O-N 2.9Å; A686-Q688 VanDerWaalsContact C-N 3.31Å; A686-D690 PolarHBondContact O-N 3.01Å; A686-H691 HydrophobicContact CB-CB 4.27Å; A686-H691 PolarHBondContact O-N 2.84Å; A686-V694 HydrophobicContact CB-CB 4.22Å; A686-V694 HydrophobicContact CB-CG1 3.74Å; A686-L698 HydrophobicContact CB-CD1 4.41Å; A686-M727 WeakPolarHBondContact O-CE 3.2Å
687A93.4Very high92.4Very high0 Ų024.6 Ų24.60%012%0.124CC..THydrogen-bonded Turntrans-78.6-8.1175.200000115.2L683 H684 L685 P715 A719 M727L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 3.04Å; H684-A687 CarbonylContact O-C 3.6Å; H684-A687 PolarHBondContact O-N 2.92Å; L685-A687 PolarHBondContact O-N 3.04Å; A687-P715 HydrophobicContact CB-CB 3.87Å; A687-A719 HydrophobicContact CB-CB 4.47Å; A687-A719 WeakPolarHBondContact O-CA 3.13Å; A687-A719 PolarHBondContact O-N 2.85Å; A687-M727 HydrophobicContact CB-CG 3.7Å; A687-M727 HydrophobicContact CB-SD 3.98Å
688Q91.9Very high92.7Very high20 Ų2018.6 Ų18.69%0.09310%0.098CC..THydrogen-bonded Turntrans-82.3-38.5173-169.4176.8-71.900111.2H684 L685 A686 T718 F722 Q724 M828H684-Q688 PolarHBondContact O-N 3.45Å; L685-Q688 VanDerWaalsContact O-CB 3.28Å; L685-Q688 WeakPolarHBondContact O-CB 3.45Å; L685-Q688 PolarHBondContact O-N 2.83Å; A686-Q688 VanDerWaalsContact C-N 3.31Å; Q688-T718 HydrophobicContact CB-CG2 3.87Å; Q688-T718 HydrophobicContact CG-CG2 4.26Å; Q688-F722 HydrophobicContact CG-CD1 4.32Å; Q688-F722 HydrophobicContact CG-CD2 3.81Å; Q688-F722 HydrophobicContact CG-CE1 4.22Å; Q688-F722 HydrophobicContact CG-CE2 3.71Å; Q688-F722 HydrophobicContact CG-CG 4.13Å; Q688-F722 HydrophobicContact CG-CZ 3.92Å; Q688-Q724 WeakPolarHBondContact O-CG 3.41Å; Q688-Q724 PolarHBondContact O-NE2 3Å; Q688-M828 PolarHBondContact OE1-O 2.96Å
689E91.5Very high93.1Very high76 Ų7620.1 Ų20.136%0.35510%0.103SC..THydrogen-bonded Turntrans-109.319.5-172.5-46.4-55.716100113.6L685 H691L685-E689 PolarHBondContact O-N 2.87Å; E689-H691 VanDerWaalsContact C-N 3.28Å; E689-H691 WeakPolarHBondContact CB-NE2 3.22Å; E689-H691 PolarHBondContact O-CE1 2.93Å; E689-H691 VanDerWaalsContact O-CE1 3.27Å; E689-H691 PolarHBondContact O-N 2.93Å; E689-H691 PolarHBondContact O-ND1 3.32Å
690D93.3Very high93.2Very high36 Ų3623.6 Ų23.619%0.19313%0.127CC..THydrogen-bonded Turntrans58.126.3-179.6-151.332.6000115.8A686 V692 Q724 N726 M727A686-D690 PolarHBondContact O-N 3.01Å; D690-V692 VanDerWaalsContact C-N 3.27Å; D690-V692 PolarHBondContact O-N 2.9Å; D690-Q724 HydrophobicContact CB-CB 3.78Å; D690-Q724 HydrophobicContact CB-CG 4.03Å; D690-Q724 WeakPolarHBondContact OD1-CB 3.38Å; D690-N726 PolarHBondContact OD1-N 3.3Å; D690-N726 WeakPolarHBondContact OD2-CB 3.41Å; D690-N726 PolarHBondContact OD2-ND2 2.89Å; D690-M727 VanDerWaalsContact OD1-CB 3.25Å; D690-M727 WeakPolarHBondContact OD1-CB 3.25Å; D690-M727 PolarHBondContact OD1-N 2.94Å
691H94.8Very high93.2Very high46 Ų4625.5 Ų25.521%0.21314%0.144CC..  trans-78.170.2-177.1-61.4-21.2000112.6Q655 G657 A686 E689 S693 V694 A695 M727Q655-H691 PolarHBondContact O-NE2 3.01Å; G657-H691 WeakPolarHBondContact CA-CD2 3.42Å; G657-H691 WeakPolarHBondContact CA-NE2 3.29Å; G657-H691 PolarHBondContact N-CD2 3.47Å; G657-H691 PolarHBondContact N-NE2 2.98Å; A686-H691 HydrophobicContact CB-CB 4.27Å; A686-H691 PolarHBondContact O-N 2.84Å; E689-H691 VanDerWaalsContact C-N 3.28Å; E689-H691 WeakPolarHBondContact CB-NE2 3.22Å; E689-H691 PolarHBondContact O-CE1 2.93Å; E689-H691 VanDerWaalsContact O-CE1 3.27Å; E689-H691 PolarHBondContact O-N 2.93Å; E689-H691 PolarHBondContact O-ND1 3.32Å; H691-S693 VanDerWaalsContact C-N 3.33Å; H691-S693 PolarHBondContact O-N 2.89Å; H691-V694 HydrophobicContact CB-CB 4.02Å; H691-V694 HydrophobicContact CB-CG2 4.19Å; H691-V694 PolarHBondContact O-N 3.14Å; H691-A695 PolarHBondContact O-N 3.38Å; H691-M727 VanDerWaalsContact C-CE 3.48Å
692V93.2Very high93Very high9 Ų927.6 Ų27.66%0.05517%0.166CC..Hα-helixtrans-57.5-41.7-178.4177.70000112.1D690 V694 A695 Q696 N726 M727 Y730 E1548D690-V692 VanDerWaalsContact C-N 3.27Å; D690-V692 PolarHBondContact O-N 2.9Å; V692-V694 PolarHBondContact O-N 3.29Å; V692-A695 CarbonylContact O-C 3.56Å; V692-A695 WeakPolarHBondContact O-CB 3.33Å; V692-A695 PolarHBondContact O-N 2.91Å; V692-A695 VanDerWaalsContact O-N 3.12Å; V692-Q696 HydrophobicContact CG1-CG 4.37Å; V692-Q696 WeakPolarHBondContact O-CG 3.45Å; V692-Q696 PolarHBondContact O-N 3.31Å; V692-N726 HydrophobicContact CG2-CB 3.82Å; V692-M727 HydrophobicContact CB-CE 4.44Å; V692-M727 HydrophobicContact CG2-CB 4.47Å; V692-M727 HydrophobicContact CG2-CE 3.98Å; V692-Y730 HydrophobicContact CG1-CD1 4.42Å; V692-Y730 HydrophobicContact CG1-CD2 4.04Å; V692-Y730 HydrophobicContact CG1-CG 3.86Å; V692-E1548 WeakPolarHBondContact CG1-OE1 3.44Å
693S93.8Very high92.9Very high53 Ų5328 Ų2837%0.37117%0.169SC..Hα-helixtrans-57.3-46.9175.854.30000112.6H691 A695 Q696 I697H691-S693 VanDerWaalsContact C-N 3.33Å; H691-S693 PolarHBondContact O-N 2.89Å; S693-A695 PolarHBondContact O-N 3.49Å; S693-Q696 WeakPolarHBondContact O-CB 3.38Å; S693-Q696 PolarHBondContact O-N 2.87Å; S693-I697 WeakPolarHBondContact O-CG1 3.37Å; S693-I697 PolarHBondContact O-N 3.42Å
694V94.8Very high92.7Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-63-41.1174.3170.10000111.1A654 T659 V662 A686 H691 V692 Q696 I697 L698A654-V694 HydrophobicContact CB-CG1 3.72Å; T659-V694 HydrophobicContact CG2-CG2 4.33Å; V662-V694 HydrophobicContact CG1-CG1 4.48Å; V662-V694 HydrophobicContact CG2-CG1 4.16Å; V662-V694 HydrophobicContact CG2-CG2 4.38Å; A686-V694 HydrophobicContact CB-CB 4.22Å; A686-V694 HydrophobicContact CB-CG1 3.74Å; H691-V694 HydrophobicContact CB-CB 4.02Å; H691-V694 HydrophobicContact CB-CG2 4.19Å; H691-V694 PolarHBondContact O-N 3.14Å; V692-V694 PolarHBondContact O-N 3.29Å; V694-Q696 VanDerWaalsContact C-N 3.34Å; V694-Q696 PolarHBondContact O-N 3.03Å; V694-I697 PolarHBondContact O-N 2.93Å; V694-L698 HydrophobicContact CG1-CD1 3.79Å; V694-L698 HydrophobicContact CG1-CG 4.19Å; V694-L698 WeakPolarHBondContact O-CB 3.25Å; V694-L698 VanDerWaalsContact O-CG 3.3Å; V694-L698 WeakPolarHBondContact O-CG 3.4Å; V694-L698 PolarHBondContact O-N 3.4Å
695A93.4Very high92.5Very high0 Ų035.1 Ų35.10%020%0.2CC..Hα-helixtrans-64.4-36.7176.400000112.6L683 H691 V692 S693 K699 M727 Y730L683-A695 HydrophobicContact CD1-CB 3.59Å; H691-A695 PolarHBondContact O-N 3.38Å; V692-A695 CarbonylContact O-C 3.56Å; V692-A695 WeakPolarHBondContact O-CB 3.33Å; V692-A695 PolarHBondContact O-N 2.91Å; V692-A695 VanDerWaalsContact O-N 3.12Å; S693-A695 PolarHBondContact O-N 3.49Å; A695-K699 VanDerWaalsContact O-CB 3.28Å; A695-K699 WeakPolarHBondContact O-CB 3.3Å; A695-K699 PolarHBondContact O-N 2.86Å; A695-M727 HydrophobicContact CB-CE 3.77Å; A695-M727 HydrophobicContact CB-SD 3.85Å; A695-Y730 HydrophobicContact CB-CD1 4.19Å; A695-Y730 HydrophobicContact CB-CE1 3.85Å
696Q93Very high92.2Very high75 Ų7538.4 Ų38.435%0.3522%0.224SC..Hα-helixtrans-62.2-48.2171.8-69.717416.800111.5V692 S693 V694 K699 S700 Y730 E1548V692-Q696 HydrophobicContact CG1-CG 4.37Å; V692-Q696 WeakPolarHBondContact O-CG 3.45Å; V692-Q696 PolarHBondContact O-N 3.31Å; S693-Q696 WeakPolarHBondContact O-CB 3.38Å; S693-Q696 PolarHBondContact O-N 2.87Å; V694-Q696 VanDerWaalsContact C-N 3.34Å; V694-Q696 PolarHBondContact O-N 3.03Å; Q696-K699 PolarHBondContact O-N 2.81Å; Q696-S700 WeakPolarHBondContact O-CB 3.44Å; Q696-S700 PolarHBondContact O-N 3.36Å; Q696-Y730 WeakPolarHBondContact CA-OH 3.4Å; Q696-Y730 HydrophobicContact CG-CD2 4.21Å; Q696-Y730 HydrophobicContact CG-CE2 3.48Å; Q696-Y730 VanDerWaalsContact CG-CE2 3.48Å; Q696-E1548 PolarHBondContact NE2-OE2 3.08Å
697I94Very high92Very high29 Ų2939.2 Ų39.215%0.14923%0.229CC..Hα-helixtrans-61.9-51.4177.8-64.2163.6000110.5T659 V662 L666 S693 V694 K699 S700 A701T659-I697 HydrophobicContact CG2-CD1 4.06Å; V662-I697 HydrophobicContact CG1-CB 4.46Å; V662-I697 HydrophobicContact CG1-CG2 3.88Å; L666-I697 HydrophobicContact CD1-CG2 3.75Å; S693-I697 WeakPolarHBondContact O-CG1 3.37Å; S693-I697 PolarHBondContact O-N 3.42Å; V694-I697 PolarHBondContact O-N 2.93Å; I697-K699 VanDerWaalsContact C-N 3.34Å; I697-K699 PolarHBondContact O-N 3.39Å; I697-S700 WeakPolarHBondContact O-CA 3.4Å; I697-S700 WeakPolarHBondContact O-CB 3.21Å; I697-S700 PolarHBondContact O-N 3.27Å; I697-S700 PolarHBondContact O-OG 2.8Å; I697-A701 PolarHBondContact O-N 3.34Å
698L94Very high91.9Very high0 Ų043 Ų430%025%0.249CC..Hα-helixtrans-57-43.8177.8-75.7173000112.2L650 A654 V662 L666 P672 P682 L683 A686 V694 S700 A701 G702 A703L650-L698 HydrophobicContact CD1-CD2 4.28Å; L650-L698 HydrophobicContact CD2-CD2 4.28Å; L650-L698 HydrophobicContact CG-CD2 4.47Å; A654-L698 HydrophobicContact CB-CD1 4.25Å; V662-L698 HydrophobicContact CG1-CD2 4.44Å; L666-L698 HydrophobicContact CD1-CD2 4.41Å; P672-L698 HydrophobicContact CB-CD2 3.91Å; P682-L698 HydrophobicContact CB-CD1 3.81Å; P682-L698 HydrophobicContact CB-CD2 3.94Å; L683-L698 HydrophobicContact CB-CD1 4.38Å; A686-L698 HydrophobicContact CB-CD1 4.41Å; V694-L698 HydrophobicContact CG1-CD1 3.79Å; V694-L698 HydrophobicContact CG1-CG 4.19Å; V694-L698 WeakPolarHBondContact O-CB 3.25Å; V694-L698 VanDerWaalsContact O-CG 3.3Å; V694-L698 WeakPolarHBondContact O-CG 3.4Å; V694-L698 PolarHBondContact O-N 3.4Å; L698-S700 VanDerWaalsContact C-N 3.34Å; L698-A701 PolarHBondContact O-N 2.92Å; L698-G702 PolarHBondContact O-N 3.27Å; L698-A703 HydrophobicContact CB-CB 4.01Å; L698-A703 WeakPolarHBondContact O-CB 3.42Å; L698-A703 PolarHBondContact O-N 3.15Å
699K91.3Very high91.8Very high58 Ų5842.8 Ų42.825%0.25225%0.249SC..Hα-helixtrans-60.8-44.2174-179.4176.8-172.8-176.90111.2A695 Q696 I697 A701 G702 I705 Y730 L734A695-K699 VanDerWaalsContact O-CB 3.28Å; A695-K699 WeakPolarHBondContact O-CB 3.3Å; A695-K699 PolarHBondContact O-N 2.86Å; Q696-K699 PolarHBondContact O-N 2.81Å; I697-K699 VanDerWaalsContact C-N 3.34Å; I697-K699 PolarHBondContact O-N 3.39Å; K699-A701 PolarHBondContact O-N 2.77Å; K699-G702 PolarHBondContact O-N 2.78Å; K699-I705 HydrophobicContact CB-CD1 4.36Å; K699-I705 HydrophobicContact CD-CD1 3.78Å; K699-I705 HydrophobicContact CG-CD1 3.89Å; K699-Y730 WeakPolarHBondContact CD-OH 3.49Å; K699-L734 HydrophobicContact CD-CD1 4.04Å; K699-L734 HydrophobicContact CD-CD2 4.31Å
700S90.9Very high91.6Very high77 Ų7747.9 Ų47.954%0.53827%0.265SS..Hα-helixtrans-63.1-29.3179.986.30000113.2Q696 I697 L698 G702Q696-S700 WeakPolarHBondContact O-CB 3.44Å; Q696-S700 PolarHBondContact O-N 3.36Å; I697-S700 WeakPolarHBondContact O-CA 3.4Å; I697-S700 WeakPolarHBondContact O-CB 3.21Å; I697-S700 PolarHBondContact O-N 3.27Å; I697-S700 PolarHBondContact O-OG 2.8Å; L698-S700 VanDerWaalsContact C-N 3.34Å; S700-G702 VanDerWaalsContact C-N 3.34Å
701A90.6Very high91.1Very high48 Ų4847.2 Ų47.240%0.39726%0.264SS..THydrogen-bonded Turntrans-84.30.4173.600000114.4L666 P672 I697 L698 K699L666-A701 HydrophobicContact CD1-CB 3.89Å; L666-A701 HydrophobicContact CD2-CB 3.97Å; L666-A701 HydrophobicContact CG-CB 4.4Å; P672-A701 HydrophobicContact CG-CB 4.34Å; I697-A701 PolarHBondContact O-N 3.34Å; L698-A701 PolarHBondContact O-N 2.92Å; K699-A701 PolarHBondContact O-N 2.77Å
702G90.3Very high90.7Very high46 Ų4645.4 Ų45.447%0.47426%0.258SS..THydrogen-bonded Turntrans94.925.1175.400000115.7N673 L698 K699 S700N673-G702 PolarHBondContact ND2-O 3.41Å; L698-G702 PolarHBondContact O-N 3.27Å; K699-G702 PolarHBondContact O-N 2.78Å; S700-G702 VanDerWaalsContact C-N 3.34Å
703A91.4Very high90.6Very high9 Ų946.1 Ų46.17%0.07426%0.26CS..  trans-60.1135.3165.300000111.3P672 L698P672-A703 HydrophobicContact CB-CB 4.16Å; L698-A703 HydrophobicContact CB-CB 4.01Å; L698-A703 WeakPolarHBondContact O-CB 3.42Å; L698-A703 PolarHBondContact O-N 3.15Å
704K90.7Very high90.5Very high134 Ų13443.8 Ų43.858%0.58324%0.244SC*.  trans-63.7142.8165.1-68.7156.1-167.4161.80109.5N673 L683 P707N673-K704 VanDerWaalsContact OD1-CD 3.28Å; N673-K704 WeakPolarHBondContact OD1-CD 3.49Å; N673-K704 WeakPolarHBondContact OD1-CG 3.39Å; N673-K704 PolarHBondContact OD1-N 2.74Å; L683-K704 WeakPolarHBondContact CD2-O 3.32Å; K704-P707 VanDerWaalsContact O-CD 3.28Å; K704-P707 WeakPolarHBondContact O-CD 3.42Å
705I89.3Confident90.4Very high18 Ų1843.8 Ų43.89%0.09224%0.244CC..SBendtrans-80.7-34.2178.7-54.6-49.5000112.4K699 P707 L731 L734 P738K699-I705 HydrophobicContact CB-CD1 4.36Å; K699-I705 HydrophobicContact CD-CD1 3.78Å; K699-I705 HydrophobicContact CG-CD1 3.89Å; I705-P707 WeakPolarHBondContact O-CD 3.45Å; I705-L731 HydrophobicContact CG2-CD2 4.14Å; I705-L734 HydrophobicContact CD1-CD1 3.64Å; I705-L734 HydrophobicContact CG1-CD1 3.93Å; I705-L734 HydrophobicContact CG2-CD1 3.75Å; I705-P738 HydrophobicContact CG2-CG 4.36Å
706S86.8Confident90.4Very high73 Ų7343.9 Ų43.951%0.5124%0.244SC..SBendtrans-118.149.7-179.156.30000114.2
707P89.6Confident90.4Very high16 Ų1640.3 Ų40.310%0.10423%0.227CC..  trans-61149.516530.8-32.9000108.6H684 K704 I705 S714 P715H684-P707 PolarHBondContact CE1-O 3.19Å; H684-P707 PolarHBondContact NE2-O 2.73Å; K704-P707 VanDerWaalsContact O-CD 3.28Å; K704-P707 WeakPolarHBondContact O-CD 3.42Å; I705-P707 WeakPolarHBondContact O-CD 3.45Å; P707-S714 WeakPolarHBondContact O-CA 3.24Å; P707-P715 HydrophobicContact CG-CG 3.99Å
708L90.8Very high90.4Very high80 Ų8038.9 Ų38.942%0.41922%0.22SC..  trans-114.6133.2178.8-62.7178.8000110.6Q675 Y713Q675-L708 PolarHBondContact NE2-O 3.47Å; L708-Y713 CarbonylContact C-O 3.58Å; L708-Y713 VanDerWaalsContact CA-O 3.31Å; L708-Y713 WeakPolarHBondContact CA-O 3.22Å
709T89.9Confident90.3Very high15 Ų1538.9 Ų38.99%0.09222%0.22CC..  trans-67.6169.5167.572.60000110.9L680 A711 G712 Y713L680-T709 HydrophobicContact CD2-CG2 3.91Å; L680-T709 HydrophobicContact CG-CG2 4.43Å; T709-A711 PolarHBondContact O-N 3.21Å; T709-A711 VanDerWaalsContact O-N 3.09Å; T709-A711 PolarHBondContact OG1-N 2.99Å; T709-G712 PolarHBondContact O-N 3.46Å; T709-Y713 PolarHBondContact N-O 3.43Å; T709-Y713 PolarHBondContact OG1-N 2.82Å
710R86.9Confident90.5Very high184 Ų18436.1 Ų36.169%0.69421%0.208SC*.THydrogen-bonded Turntrans-61.1-18.9177.2-73.8-175.3177.6-178.55.6114.4K677 N678 Q745K677-R710 WeakPolarHBondContact O-CD 3.46Å; K677-R710 PolarHBondContact O-NE 3.02Å; K677-R710 PolarHBondContact O-NH1 2.75Å; K677-R710 VanDerWaalsContact O-NH1 3.08Å; K677-R710 PolarHBondContact O-NH2 3.45Å; N678-R710 WeakPolarHBondContact O-CB 3.24Å; N678-R710 WeakPolarHBondContact O-CG 3.4Å; N678-R710 PolarHBondContact O-N 2.7Å; R710-Q745 PolarHBondContact O-NE2 3.21Å; R710-Q745 PolarHBondContact O-OE1 3.16Å
711A83.2Confident90.5Very high22 Ų2232.8 Ų32.818%0.18218%0.184CC..THydrogen-bonded Turntrans-98.34174.200000113.6T709 Y713 Q745T709-A711 PolarHBondContact O-N 3.21Å; T709-A711 VanDerWaalsContact O-N 3.09Å; T709-A711 PolarHBondContact OG1-N 2.99Å; A711-Y713 HydrophobicContact CB-CD2 3.79Å; A711-Y713 HydrophobicContact CB-CE2 3.79Å; A711-Q745 WeakPolarHBondContact O-CB 3.38Å; A711-Q745 WeakPolarHBondContact O-CG 3.4Å; A711-Q745 PolarHBondContact O-N 3.5Å; A711-Q745 VanDerWaalsContact O-N 3.15Å
712G87.8Confident90.6Very high8 Ų833 Ų338%0.08218%0.176CC..  trans79.619.3177.300000115.2T709T709-G712 PolarHBondContact O-N 3.46Å
713Y89.5Confident90.6Very high24 Ų2431.6 Ų31.69%0.09416%0.162CC..  trans-75.6145167.1-65.6-105.5000108.9H684 L708 T709 A711 H717 T744 L753 P825 M828H684-Y713 PolarHBondContact NE2-O 2.88Å; L708-Y713 CarbonylContact C-O 3.58Å; L708-Y713 VanDerWaalsContact CA-O 3.31Å; L708-Y713 WeakPolarHBondContact CA-O 3.22Å; T709-Y713 PolarHBondContact N-O 3.43Å; T709-Y713 PolarHBondContact OG1-N 2.82Å; A711-Y713 HydrophobicContact CB-CD2 3.79Å; A711-Y713 HydrophobicContact CB-CE2 3.79Å; Y713-H717 HydrophobicContact CD1-CB 3.86Å; Y713-H717 HydrophobicContact CG-CB 4.46Å; Y713-T744 HydrophobicContact CD1-CG2 4.04Å; Y713-T744 HydrophobicContact CD2-CG2 4.33Å; Y713-T744 HydrophobicContact CE1-CG2 4.01Å; Y713-T744 HydrophobicContact CE2-CG2 4.32Å; Y713-T744 HydrophobicContact CG-CG2 4.18Å; Y713-L753 HydrophobicContact CD1-CD1 4.11Å; Y713-L753 HydrophobicContact CE1-CD1 3.81Å; Y713-L753 HydrophobicContact CE1-CD2 4.49Å; Y713-P825 HydrophobicContact CE1-CB 4.39Å; Y713-M828 HydrophobicContact CD1-CE 3.88Å; Y713-M828 HydrophobicContact CD1-SD 3.69Å; Y713-M828 HydrophobicContact CE1-CE 3.91Å; Y713-M828 HydrophobicContact CE1-SD 4.24Å; Y713-M828 HydrophobicContact CG-SD 4.1Å
714S92.5Very high90.7Very high4 Ų433.1 Ų33.13%0.02817%0.167CC..  trans-113168.7168.166.90000109.8P707 L716 H717 T718P707-S714 WeakPolarHBondContact O-CA 3.24Å; S714-L716 PolarHBondContact O-N 3.33Å; S714-L716 VanDerWaalsContact O-N 3.13Å; S714-H717 PolarHBondContact N-ND1 3.32Å; S714-H717 WeakPolarHBondContact O-CA 3.37Å; S714-H717 WeakPolarHBondContact O-CB 3.12Å; S714-H717 PolarHBondContact O-N 3.31Å; S714-H717 PolarHBondContact OG-ND1 3.18Å; S714-T718 PolarHBondContact O-N 3.2Å; S714-T718 VanDerWaalsContact O-N 3.08Å; S714-T718 PolarHBondContact O-OG1 3.43Å
715P92.4Very high90.8Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-54.5-33.8177.3-28.637.3000113.8L683 H684 A687 P707 T718 A719 L731L683-P715 HydrophobicContact CB-CG 4.5Å; L683-P715 HydrophobicContact CD2-CB 4.5Å; L683-P715 HydrophobicContact CD2-CG 4.05Å; L683-P715 HydrophobicContact CG-CB 4.2Å; L683-P715 HydrophobicContact CG-CG 3.98Å; H684-P715 WeakPolarHBondContact NE2-CD 3.32Å; A687-P715 HydrophobicContact CB-CB 3.87Å; P707-P715 HydrophobicContact CG-CG 3.99Å; P715-T718 PolarHBondContact O-N 3.12Å; P715-A719 WeakPolarHBondContact O-CB 3.47Å; P715-A719 PolarHBondContact O-N 3.43Å; P715-L731 HydrophobicContact CB-CD1 4.05Å
716L94.1Very high90.9Very high1 Ų130.6 Ų30.61%0.00516%0.16CC..Hα-helixtrans-64.5-37.4172.8-178.566.3000112.6S714 T718 C720 V728 L731 L732 P738 P750S714-L716 PolarHBondContact O-N 3.33Å; S714-L716 VanDerWaalsContact O-N 3.13Å; L716-T718 VanDerWaalsContact C-N 3.35Å; L716-C720 VanDerWaalsContact O-CB 3.24Å; L716-C720 WeakPolarHBondContact O-CB 3.47Å; L716-C720 PolarHBondContact O-N 3.04Å; L716-C720 PolarHBondContact O-SG 2.97Å; L716-V728 HydrophobicContact CD1-CG1 4.11Å; L716-V728 HydrophobicContact CD1-CG2 4.4Å; L716-L731 HydrophobicContact CB-CD1 4.34Å; L716-L732 HydrophobicContact CD1-CD2 4.29Å; L716-L732 HydrophobicContact CD1-CG 4.21Å; L716-L732 HydrophobicContact CD2-CD2 3.97Å; L716-P738 HydrophobicContact CB-CG 4.09Å; L716-P738 HydrophobicContact CD2-CB 4.48Å; L716-P738 HydrophobicContact CD2-CG 4.02Å; L716-P750 HydrophobicContact CD2-CB 4.31Å; L716-P750 HydrophobicContact CD2-CG 3.79Å; L716-P750 HydrophobicContact CG-CB 4.14Å; L716-P750 HydrophobicContact CG-CG 3.91Å
717H93.6Very high91.3Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-67-38.4174.1-7181.8000111.6Y713 S714 H721 Q742 T744 P750 L753Y713-H717 HydrophobicContact CD1-CB 3.86Å; Y713-H717 HydrophobicContact CG-CB 4.46Å; S714-H717 PolarHBondContact N-ND1 3.32Å; S714-H717 WeakPolarHBondContact O-CA 3.37Å; S714-H717 WeakPolarHBondContact O-CB 3.12Å; S714-H717 PolarHBondContact O-N 3.31Å; S714-H717 PolarHBondContact OG-ND1 3.18Å; H717-H721 VanDerWaalsContact O-CB 3.25Å; H717-H721 WeakPolarHBondContact O-CB 3.38Å; H717-H721 PolarHBondContact O-N 3.16Å; H717-Q742 PolarHBondContact CE1-O 3.28Å; H717-Q742 PolarHBondContact NE2-O 2.96Å; H717-T744 WeakPolarHBondContact CD2-CG2 3.38Å; H717-P750 WeakPolarHBondContact NE2-CD 2.92Å; H717-L753 HydrophobicContact CB-CD1 3.81Å
718T92Very high91.5Very high0 Ų026.3 Ų26.30%013%0.131CC..Hα-helixtrans-64.5-54.5176.1-54.40000110.3Q688 S714 P715 L716 C720 H721 F722 M828Q688-T718 HydrophobicContact CB-CG2 3.87Å; Q688-T718 HydrophobicContact CG-CG2 4.26Å; S714-T718 PolarHBondContact O-N 3.2Å; S714-T718 VanDerWaalsContact O-N 3.08Å; S714-T718 PolarHBondContact O-OG1 3.43Å; P715-T718 PolarHBondContact O-N 3.12Å; L716-T718 VanDerWaalsContact C-N 3.35Å; T718-C720 VanDerWaalsContact C-N 3.35Å; T718-C720 PolarHBondContact O-N 3.34Å; T718-H721 WeakPolarHBondContact O-CB 3.28Å; T718-H721 PolarHBondContact O-N 3.23Å; T718-F722 HydrophobicContact CG2-CD2 3.91Å; T718-F722 HydrophobicContact CG2-CE2 4.06Å; T718-F722 WeakPolarHBondContact O-CD2 3.39Å; T718-F722 PolarHBondContact O-N 2.97Å; T718-M828 HydrophobicContact CG2-SD 4.13Å; T718-M828 PolarHBondContact OG1-SD 2.68Å
719A93.5Very high91.6Very high0 Ų027.4 Ų27.40%013%0.129CC..Hα-helixtrans-56.1-46.2178.400000112.3A687 P715 H721 F722 G723 Q724 M727 V728A687-A719 HydrophobicContact CB-CB 4.47Å; A687-A719 WeakPolarHBondContact O-CA 3.13Å; A687-A719 PolarHBondContact O-N 2.85Å; P715-A719 WeakPolarHBondContact O-CB 3.47Å; P715-A719 PolarHBondContact O-N 3.43Å; A719-H721 VanDerWaalsContact C-N 3.29Å; A719-H721 PolarHBondContact O-N 3Å; A719-F722 PolarHBondContact O-N 2.84Å; A719-G723 PolarHBondContact O-N 2.74Å; A719-Q724 HydrophobicContact CB-CB 4.25Å; A719-Q724 PolarHBondContact O-N 3.22Å; A719-M727 HydrophobicContact CB-CB 4Å; A719-M727 HydrophobicContact CB-CG 3.74Å; A719-V728 HydrophobicContact CB-CG2 3.68Å
720C93.9Very high91.8Very high0 Ų028.5 Ų28.50%013%0.132CC..Hα-helixtrans-67.7-22.9176.7-70.70000114.4L716 T718 V728 P750 A754 H759 V762L716-C720 VanDerWaalsContact O-CB 3.24Å; L716-C720 WeakPolarHBondContact O-CB 3.47Å; L716-C720 PolarHBondContact O-N 3.04Å; L716-C720 PolarHBondContact O-SG 2.97Å; T718-C720 VanDerWaalsContact C-N 3.35Å; T718-C720 PolarHBondContact O-N 3.34Å; C720-V728 WeakPolarHBondContact SG-CG2 3.18Å; C720-P750 HydrophobicContact CB-CB 3.95Å; C720-A754 HydrophobicContact CB-CB 4.32Å; C720-A754 WeakPolarHBondContact O-CA 3.34Å; C720-A754 PolarHBondContact O-N 2.87Å; C720-H759 PolarHBondContact O-CD2 3.4Å; C720-V762 HydrophobicContact CB-CG1 4.27Å
721H91.8Very high92Very high7 Ų719.8 Ų19.83%0.03210%0.099CC..Hα-helixtrans-79.9-41.1175.3177-90.4000112.2H717 T718 A719 L753 Q757 H759 P825 M828H717-H721 VanDerWaalsContact O-CB 3.25Å; H717-H721 WeakPolarHBondContact O-CB 3.38Å; H717-H721 PolarHBondContact O-N 3.16Å; T718-H721 WeakPolarHBondContact O-CB 3.28Å; T718-H721 PolarHBondContact O-N 3.23Å; A719-H721 VanDerWaalsContact C-N 3.29Å; A719-H721 PolarHBondContact O-N 3Å; H721-L753 HydrophobicContact CB-CB 4.31Å; H721-L753 HydrophobicContact CB-CD1 4.44Å; H721-Q757 PolarHBondContact NE2-NE2 3.07Å; H721-H759 PolarHBondContact O-CD2 3.22Å; H721-H759 PolarHBondContact O-NE2 2.97Å; H721-P825 WeakPolarHBondContact NE2-CG 3.26Å; H721-M828 HydrophobicContact CB-CE 3.73Å
722F91.8Very high92.4Very high51 Ų5119.9 Ų19.922%0.22410%0.096CC..Hα-helixtrans-84.8-16.9-179.3-72.7-85.4000113.5Q688 T718 A719 Q724 H759 M828Q688-F722 HydrophobicContact CG-CD1 4.32Å; Q688-F722 HydrophobicContact CG-CD2 3.81Å; Q688-F722 HydrophobicContact CG-CE1 4.22Å; Q688-F722 HydrophobicContact CG-CE2 3.71Å; Q688-F722 HydrophobicContact CG-CG 4.13Å; Q688-F722 HydrophobicContact CG-CZ 3.92Å; T718-F722 HydrophobicContact CG2-CD2 3.91Å; T718-F722 HydrophobicContact CG2-CE2 4.06Å; T718-F722 WeakPolarHBondContact O-CD2 3.39Å; T718-F722 PolarHBondContact O-N 2.97Å; A719-F722 PolarHBondContact O-N 2.84Å; F722-Q724 HydrophobicContact CB-CG 3.91Å; F722-H759 VanDerWaalsContact C-NE2 3.35Å; F722-H759 PolarHBondContact O-CE1 2.86Å; F722-H759 PolarHBondContact O-NE2 3.46Å; F722-M828 HydrophobicContact CE2-CB 3.99Å; F722-M828 HydrophobicContact CE2-CE 4.01Å; F722-M828 HydrophobicContact CE2-SD 4.49Å; F722-M828 HydrophobicContact CZ-CB 4.18Å; F722-M828 WeakPolarHBondContact CZ-O 3.47Å
723G91.4Very high92.5Very high17 Ų1724.7 Ų24.718%0.17512%0.12CC..THydrogen-bonded Turntrans100.711.8174.600000114.3A719 I725 H759A719-G723 PolarHBondContact O-N 2.74Å; G723-I725 PolarHBondContact O-N 3.34Å; G723-H759 PolarHBondContact N-NE2 2.89Å
724Q93.9Very high92.5Very high42 Ų4224.3 Ų24.320%0.19612%0.12CC..  trans-76.379.7-166-51.7-52.327.200111.8Q688 D690 A719 F722 N726 M727 V728Q688-Q724 WeakPolarHBondContact O-CG 3.41Å; Q688-Q724 PolarHBondContact O-NE2 3Å; D690-Q724 HydrophobicContact CB-CB 3.78Å; D690-Q724 HydrophobicContact CB-CG 4.03Å; D690-Q724 WeakPolarHBondContact OD1-CB 3.38Å; A719-Q724 HydrophobicContact CB-CB 4.25Å; A719-Q724 PolarHBondContact O-N 3.22Å; F722-Q724 HydrophobicContact CB-CG 3.91Å; Q724-N726 VanDerWaalsContact C-N 3.3Å; Q724-N726 PolarHBondContact O-N 3Å; Q724-M727 HydrophobicContact CB-CB 4.13Å; Q724-M727 PolarHBondContact O-N 3.38Å; Q724-V728 WeakPolarHBondContact O-CG2 3.45Å; Q724-V728 PolarHBondContact O-N 3.16Å
725I91.8Very high92Very high25 Ų2530 Ų3013%0.12816%0.157CC..Hα-helixtrans-62.5-33.1-168.8-168.3171.2000113.3G723 V728 R729 Q761 V762 L765G723-I725 PolarHBondContact O-N 3.34Å; I725-V728 PolarHBondContact O-N 2.99Å; I725-R729 WeakPolarHBondContact O-CG 3.33Å; I725-R729 PolarHBondContact O-N 3.1Å; I725-Q761 HydrophobicContact CD1-CB 3.85Å; I725-V762 HydrophobicContact CB-CG2 4.2Å; I725-V762 HydrophobicContact CG1-CG2 4.48Å; I725-L765 HydrophobicContact CG1-CD2 3.93Å
726N92.6Very high91.6Very high73 Ų7336 Ų3639%0.3919%0.189SC..Hα-helixtrans-74.2-41.3-178.4-53-57.8000110.2D690 V692 Q724 R729 Y730D690-N726 PolarHBondContact OD1-N 3.3Å; D690-N726 WeakPolarHBondContact OD2-CB 3.41Å; D690-N726 PolarHBondContact OD2-ND2 2.89Å; V692-N726 HydrophobicContact CG2-CB 3.82Å; Q724-N726 VanDerWaalsContact C-N 3.3Å; Q724-N726 PolarHBondContact O-N 3Å; N726-R729 PolarHBondContact O-N 3.19Å; N726-Y730 VanDerWaalsContact O-CB 3.29Å; N726-Y730 WeakPolarHBondContact O-CB 3.34Å; N726-Y730 PolarHBondContact O-N 3.17Å
727M94Very high90.9Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-61-40.3168.5-171.566.651.100112.6A686 A687 D690 H691 V692 A695 A719 Q724 Y730 L731A686-M727 WeakPolarHBondContact O-CE 3.2Å; A687-M727 HydrophobicContact CB-CG 3.7Å; A687-M727 HydrophobicContact CB-SD 3.98Å; D690-M727 VanDerWaalsContact OD1-CB 3.25Å; D690-M727 WeakPolarHBondContact OD1-CB 3.25Å; D690-M727 PolarHBondContact OD1-N 2.94Å; H691-M727 VanDerWaalsContact C-CE 3.48Å; V692-M727 HydrophobicContact CB-CE 4.44Å; V692-M727 HydrophobicContact CG2-CB 4.47Å; V692-M727 HydrophobicContact CG2-CE 3.98Å; A695-M727 HydrophobicContact CB-CE 3.77Å; A695-M727 HydrophobicContact CB-SD 3.85Å; A719-M727 HydrophobicContact CB-CB 4Å; A719-M727 HydrophobicContact CB-CG 3.74Å; Q724-M727 HydrophobicContact CB-CB 4.13Å; Q724-M727 PolarHBondContact O-N 3.38Å; M727-Y730 PolarHBondContact O-N 3.4Å; M727-Y730 HydrophobicContact SD-CD1 4.27Å; M727-L731 HydrophobicContact CG-CD1 3.81Å; M727-L731 HydrophobicContact CG-CG 4.18Å; M727-L731 VanDerWaalsContact O-CB 3.31Å; M727-L731 WeakPolarHBondContact O-CB 3.42Å; M727-L731 VanDerWaalsContact O-CG 3.24Å; M727-L731 WeakPolarHBondContact O-CG 3.47Å; M727-L731 PolarHBondContact O-N 3.29Å; M727-L731 HydrophobicContact SD-CD1 4.15Å; M727-L731 HydrophobicContact SD-CG 4.06Å
728V93.8Very high90.4Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-64.4-43.7177174.30000111.3L716 A719 C720 Q724 I725 L732 V762 L765 L766L716-V728 HydrophobicContact CD1-CG1 4.11Å; L716-V728 HydrophobicContact CD1-CG2 4.4Å; A719-V728 HydrophobicContact CB-CG2 3.68Å; C720-V728 WeakPolarHBondContact SG-CG2 3.18Å; Q724-V728 WeakPolarHBondContact O-CG2 3.45Å; Q724-V728 PolarHBondContact O-N 3.16Å; I725-V728 PolarHBondContact O-N 2.99Å; V728-L732 HydrophobicContact CG1-CD1 3.86Å; V728-L732 WeakPolarHBondContact O-CB 3.41Å; V728-L732 VanDerWaalsContact O-CG 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.33Å; V728-L732 PolarHBondContact O-N 2.87Å; V728-V762 HydrophobicContact CG1-CG1 4.37Å; V728-V762 HydrophobicContact CG2-CG1 4.15Å; V728-L765 HydrophobicContact CB-CD2 4.17Å; V728-L765 HydrophobicContact CG1-CD2 3.72Å; V728-L765 HydrophobicContact CG1-CG 4.45Å; V728-L766 HydrophobicContact CG1-CD2 4.27Å
729R93.3Very high90.2Very high102 Ų10243.1 Ų43.139%0.38523%0.234SC..Hα-helixtrans-57.8-59.9170.8-71.3175.6176138.2-8110.3I725 N726 L731 L732 D733 L765I725-R729 WeakPolarHBondContact O-CG 3.33Å; I725-R729 PolarHBondContact O-N 3.1Å; N726-R729 PolarHBondContact O-N 3.19Å; R729-L731 VanDerWaalsContact C-N 3.29Å; R729-L731 PolarHBondContact O-N 2.82Å; R729-L731 VanDerWaalsContact O-N 3.16Å; R729-L732 PolarHBondContact O-N 3.08Å; R729-D733 PolarHBondContact O-N 3.33Å; R729-L765 HydrophobicContact CG-CD1 4.13Å; R729-L765 HydrophobicContact CG-CD2 3.55Å; R729-L765 HydrophobicContact CG-CG 4.5Å
730Y93.3Very high90Very high38 Ų3844.1 Ų44.115%0.14924%0.239CC..Hα-helixtrans-50.9-45.4-177.1174.6-104.6000112.9V692 A695 Q696 K699 N726 M727 L734V692-Y730 HydrophobicContact CG1-CD1 4.42Å; V692-Y730 HydrophobicContact CG1-CD2 4.04Å; V692-Y730 HydrophobicContact CG1-CG 3.86Å; A695-Y730 HydrophobicContact CB-CD1 4.19Å; A695-Y730 HydrophobicContact CB-CE1 3.85Å; Q696-Y730 WeakPolarHBondContact CA-OH 3.4Å; Q696-Y730 HydrophobicContact CG-CD2 4.21Å; Q696-Y730 HydrophobicContact CG-CE2 3.48Å; Q696-Y730 VanDerWaalsContact CG-CE2 3.48Å; K699-Y730 WeakPolarHBondContact CD-OH 3.49Å; N726-Y730 VanDerWaalsContact O-CB 3.29Å; N726-Y730 WeakPolarHBondContact O-CB 3.34Å; N726-Y730 PolarHBondContact O-N 3.17Å; M727-Y730 PolarHBondContact O-N 3.4Å; M727-Y730 HydrophobicContact SD-CD1 4.27Å; Y730-L734 HydrophobicContact CD2-CD2 4.26Å; Y730-L734 HydrophobicContact CE1-CD1 4.4Å; Y730-L734 HydrophobicContact CE1-CD2 4.25Å; Y730-L734 HydrophobicContact CE2-CD2 3.81Å; Y730-L734 WeakPolarHBondContact O-CD2 3.39Å; Y730-L734 WeakPolarHBondContact O-CG 3.44Å
731L92.6Very high89.9Confident1 Ų146.1 Ų46.11%0.00525%0.25CS..Hα-helixtrans-69-34.2179.9-72.6173.9000113.3I705 P715 L716 M727 R729 L734 P738I705-L731 HydrophobicContact CG2-CD2 4.14Å; P715-L731 HydrophobicContact CB-CD1 4.05Å; L716-L731 HydrophobicContact CB-CD1 4.34Å; M727-L731 HydrophobicContact CG-CD1 3.81Å; M727-L731 HydrophobicContact CG-CG 4.18Å; M727-L731 VanDerWaalsContact O-CB 3.31Å; M727-L731 WeakPolarHBondContact O-CB 3.42Å; M727-L731 VanDerWaalsContact O-CG 3.24Å; M727-L731 WeakPolarHBondContact O-CG 3.47Å; M727-L731 PolarHBondContact O-N 3.29Å; M727-L731 HydrophobicContact SD-CD1 4.15Å; M727-L731 HydrophobicContact SD-CG 4.06Å; R729-L731 VanDerWaalsContact C-N 3.29Å; R729-L731 PolarHBondContact O-N 2.82Å; R729-L731 VanDerWaalsContact O-N 3.16Å; L731-L734 HydrophobicContact CD2-CD1 4.38Å; L731-L734 WeakPolarHBondContact O-CG 3.38Å; L731-P738 HydrophobicContact CB-CG 4.45Å; L731-P738 WeakPolarHBondContact O-CD 3.43Å
732L91.3Very high89.8Confident25 Ų2549.4 Ų49.413%0.13127%0.265CS..Hα-helixtrans-80.9-29.9179.7-68.5173.2000112.7L716 V728 R729 L734 I740 L766 M769L716-L732 HydrophobicContact CD1-CD2 4.29Å; L716-L732 HydrophobicContact CD1-CG 4.21Å; L716-L732 HydrophobicContact CD2-CD2 3.97Å; V728-L732 HydrophobicContact CG1-CD1 3.86Å; V728-L732 WeakPolarHBondContact O-CB 3.41Å; V728-L732 VanDerWaalsContact O-CG 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.33Å; V728-L732 PolarHBondContact O-N 2.87Å; R729-L732 PolarHBondContact O-N 3.08Å; L732-L734 PolarHBondContact O-N 3.43Å; L732-I740 HydrophobicContact CD1-CD1 4.12Å; L732-I740 HydrophobicContact CD2-CB 4.24Å; L732-I740 HydrophobicContact CD2-CD1 4.16Å; L732-I740 HydrophobicContact CD2-CG1 4.15Å; L732-L766 HydrophobicContact CD1-CD2 4.18Å; L732-M769 HydrophobicContact CD1-CB 4.16Å; L732-M769 HydrophobicContact CD1-CG 4.16Å
733D90.1Very high89.7Confident109 Ų10952.7 Ų52.758%0.58328%0.277SS*.SBendtrans-75-0.2177.3-66.1-37.5000113.5R729R729-D733 PolarHBondContact O-N 3.33Å
734L88.5Confident89.6Confident16 Ų1652.3 Ų52.38%0.08427%0.27CS..SBendtrans-77.2144.7-179.7-54.9-171.8000112.2K699 I705 Y730 L731 L732 D736 A737K699-L734 HydrophobicContact CD-CD1 4.04Å; K699-L734 HydrophobicContact CD-CD2 4.31Å; I705-L734 HydrophobicContact CD1-CD1 3.64Å; I705-L734 HydrophobicContact CG1-CD1 3.93Å; I705-L734 HydrophobicContact CG2-CD1 3.75Å; Y730-L734 HydrophobicContact CD2-CD2 4.26Å; Y730-L734 HydrophobicContact CE1-CD1 4.4Å; Y730-L734 HydrophobicContact CE1-CD2 4.25Å; Y730-L734 HydrophobicContact CE2-CD2 3.81Å; Y730-L734 WeakPolarHBondContact O-CD2 3.39Å; Y730-L734 WeakPolarHBondContact O-CG 3.44Å; L731-L734 HydrophobicContact CD2-CD1 4.38Å; L731-L734 WeakPolarHBondContact O-CG 3.38Å; L732-L734 PolarHBondContact O-N 3.43Å; L734-D736 PolarHBondContact O-N 3.32Å; L734-A737 WeakPolarHBondContact O-CB 3.47Å; L734-A737 PolarHBondContact O-N 2.97Å
735P82.6Confident89.2Confident123 Ų12356.1 Ų56.180%0.79929%0.289SS*.THydrogen-bonded Turntrans-57.6-33.1174.6-27.335.4000114.3
736D83.6Confident88.7Confident126 Ų12659.6 Ų59.667%0.67431%0.305SS*.THydrogen-bonded Turntrans-102.249.6173.9-53.6-64.8000110.3L734L734-D736 PolarHBondContact O-N 3.32Å
737A78.9Confident88.5Confident51 Ų5156.5 Ų56.542%0.42129%0.29SS..  trans-53.8138.4-176.600000112.1L734L734-A737 WeakPolarHBondContact O-CB 3.47Å; L734-A737 PolarHBondContact O-N 2.97Å
738P83.3Confident88.3Confident10 Ų1057.5 Ų57.57%0.06530%0.295CS..  trans-67.2143.4172.929.5-31.6000110.1I705 L716 L731 I740I705-P738 HydrophobicContact CG2-CG 4.36Å; L716-P738 HydrophobicContact CB-CG 4.09Å; L716-P738 HydrophobicContact CD2-CB 4.48Å; L716-P738 HydrophobicContact CD2-CG 4.02Å; L731-P738 HydrophobicContact CB-CG 4.45Å; L731-P738 WeakPolarHBondContact O-CD 3.43Å; P738-I740 PolarHBondContact O-N 3.02Å
739D87.9Confident88.2Confident90 Ų9057.5 Ų57.548%0.48130%0.295SS..  trans-58.1113.4176.3171.517.7000110.5N741 Q742D739-N741 PolarHBondContact O-N 3.44Å; D739-N741 VanDerWaalsContact O-N 3.14Å; D739-N741 WeakPolarHBondContact OD1-CA 3.32Å; D739-N741 PolarHBondContact OD1-N 3.29Å; D739-Q742 HydrophobicContact CB-CB 4.08Å; D739-Q742 VanDerWaalsContact CG-N 3.32Å; D739-Q742 WeakPolarHBondContact O-CB 3.44Å; D739-Q742 PolarHBondContact O-N 2.88Å; D739-Q742 PolarHBondContact OD1-N 2.98Å; D739-Q742 PolarHBondContact OD2-N 3.32Å
740I90.7Very high88.2Confident20 Ų2052.7 Ų52.710%0.10328%0.277CS..THydrogen-bonded Turntrans-62.1-18.7-179.7-161.5172.4000112.8L732 P738 P750 L766 M769 A771L732-I740 HydrophobicContact CD1-CD1 4.12Å; L732-I740 HydrophobicContact CD2-CB 4.24Å; L732-I740 HydrophobicContact CD2-CD1 4.16Å; L732-I740 HydrophobicContact CD2-CG1 4.15Å; P738-I740 PolarHBondContact O-N 3.02Å; I740-P750 WeakPolarHBondContact O-CD 3.28Å; I740-L766 HydrophobicContact CD1-CD2 3.85Å; I740-L766 HydrophobicContact CG1-CD2 3.78Å; I740-M769 HydrophobicContact CD1-CB 3.76Å; I740-A771 HydrophobicContact CD1-CB 3.93Å; I740-A771 HydrophobicContact CG1-CB 4Å
741N90.1Very high88.2Confident43 Ų4350.9 Ų50.923%0.2327%0.269CS..THydrogen-bonded Turntrans-108.210176-62.6-64000113.2D739 D772D739-N741 PolarHBondContact O-N 3.44Å; D739-N741 VanDerWaalsContact O-N 3.14Å; D739-N741 WeakPolarHBondContact OD1-CA 3.32Å; D739-N741 PolarHBondContact OD1-N 3.29Å; N741-D772 PolarHBondContact OD1-N 3.11Å
742Q90.3Very high88.3Confident75 Ų7550.8 Ų50.835%0.3527%0.269SS..  trans-53141.7171176.559.465.500109.3H717 D739 T749 P750H717-Q742 PolarHBondContact CE1-O 3.28Å; H717-Q742 PolarHBondContact NE2-O 2.96Å; D739-Q742 HydrophobicContact CB-CB 4.08Å; D739-Q742 VanDerWaalsContact CG-N 3.32Å; D739-Q742 WeakPolarHBondContact O-CB 3.44Å; D739-Q742 PolarHBondContact O-N 2.88Å; D739-Q742 PolarHBondContact OD1-N 2.98Å; D739-Q742 PolarHBondContact OD2-N 3.32Å; Q742-T749 WeakPolarHBondContact O-CA 3.42Å; Q742-P750 WeakPolarHBondContact O-CD 3.21Å
743R90.1Very high88.3Confident121 Ų12149.7 Ų49.746%0.45726%0.263SS..  trans-110142.3-178.8-59.3-175.6-164.6-161.35.7111.9F748 T749 R776R743-F748 CarbonylContact C-O 3.52Å; R743-F748 VanDerWaalsContact CA-O 3.29Å; R743-F748 WeakPolarHBondContact CA-O 3.49Å; R743-T749 HydrophobicContact CG-CG2 3.92Å; R743-R776 PolarHBondContact NH1-O 3.16Å
744T89.4Confident88.4Confident8 Ų844.5 Ų44.55%0.04924%0.236CC..  trans-68.4173.716470.40000111.2Y713 H717 M746 G747 F748Y713-T744 HydrophobicContact CD1-CG2 4.04Å; Y713-T744 HydrophobicContact CD2-CG2 4.33Å; Y713-T744 HydrophobicContact CE1-CG2 4.01Å; Y713-T744 HydrophobicContact CE2-CG2 4.32Å; Y713-T744 HydrophobicContact CG-CG2 4.18Å; H717-T744 WeakPolarHBondContact CD2-CG2 3.38Å; T744-M746 PolarHBondContact O-N 3.22Å; T744-M746 VanDerWaalsContact O-N 3.15Å; T744-M746 PolarHBondContact OG1-N 3.31Å; T744-G747 PolarHBondContact O-N 3.35Å; T744-F748 PolarHBondContact N-O 3.41Å; T744-F748 PolarHBondContact OG1-N 3.29Å
745Q85.1Confident88.6Confident123 Ų12343.8 Ų43.858%0.57523%0.232SC*.THydrogen-bonded Turntrans-61.5-20.5175.1-72.1174.89.200114.1R710 A711 Q778R710-Q745 PolarHBondContact O-NE2 3.21Å; R710-Q745 PolarHBondContact O-OE1 3.16Å; A711-Q745 WeakPolarHBondContact O-CB 3.38Å; A711-Q745 WeakPolarHBondContact O-CG 3.4Å; A711-Q745 PolarHBondContact O-N 3.5Å; A711-Q745 VanDerWaalsContact O-N 3.15Å; Q745-Q778 PolarHBondContact O-NE2 2.86Å
746M82Confident88.9Confident98 Ų9838.5 Ų38.548%0.48320%0.196SC..THydrogen-bonded Turntrans-92.34.5173.7-60.7-57.2-162.400113.2T744 F748 Q778T744-M746 PolarHBondContact O-N 3.22Å; T744-M746 VanDerWaalsContact O-N 3.15Å; T744-M746 PolarHBondContact OG1-N 3.31Å; M746-F748 VanDerWaalsContact C-N 3.34Å; M746-F748 HydrophobicContact CB-CD2 3.78Å; M746-F748 HydrophobicContact CB-CE2 4.03Å; M746-F748 PolarHBondContact O-N 2.97Å; M746-Q778 WeakPolarHBondContact O-CB 3.42Å; M746-Q778 WeakPolarHBondContact O-CG 3.23Å; M746-Q778 PolarHBondContact O-N 3.42Å
747G87.1Confident89.2Confident7 Ų734.7 Ų34.77%0.07218%0.175CC..SBendtrans81.14.4177.500000115.8T744T744-G747 PolarHBondContact O-N 3.35Å
748F89.5Confident89.8Confident22 Ų2233.4 Ų33.410%0.09617%0.166CC..  trans-72.7139.8175.4-72.9-114.5000109.9R743 T744 M746 H752 L753 Q756 N777 I786 L822R743-F748 CarbonylContact C-O 3.52Å; R743-F748 VanDerWaalsContact CA-O 3.29Å; R743-F748 WeakPolarHBondContact CA-O 3.49Å; T744-F748 PolarHBondContact N-O 3.41Å; T744-F748 PolarHBondContact OG1-N 3.29Å; M746-F748 VanDerWaalsContact C-N 3.34Å; M746-F748 HydrophobicContact CB-CD2 3.78Å; M746-F748 HydrophobicContact CB-CE2 4.03Å; M746-F748 PolarHBondContact O-N 2.97Å; F748-H752 HydrophobicContact CB-CB 4.13Å; F748-H752 HydrophobicContact CD1-CB 3.68Å; F748-H752 HydrophobicContact CG-CB 4.28Å; F748-L753 HydrophobicContact CB-CD2 4.25Å; F748-L753 HydrophobicContact CB-CG 4.48Å; F748-L753 HydrophobicContact CD1-CD2 4Å; F748-L753 HydrophobicContact CG-CD2 4.41Å; F748-Q756 VanDerWaalsContact CE1-OE1 3.27Å; F748-N777 HydrophobicContact CD2-CB 4.18Å; F748-N777 HydrophobicContact CE2-CB 4.32Å; F748-N777 WeakPolarHBondContact CE2-ND2 3.2Å; F748-N777 HydrophobicContact CG-CB 4.5Å; F748-N777 VanDerWaalsContact CZ-ND2 3.27Å; F748-N777 WeakPolarHBondContact CZ-ND2 3.33Å; F748-I786 HydrophobicContact CE1-CD1 4.01Å; F748-L822 HydrophobicContact CZ-CD2 4.5Å
749T93.1Very high90.1Very high0 Ų035.2 Ų35.20%017%0.174CC..  trans-98.3168.416865.80000110.5Q742 R743 L751 H752 L753 V775Q742-T749 WeakPolarHBondContact O-CA 3.42Å; R743-T749 HydrophobicContact CG-CG2 3.92Å; T749-L751 PolarHBondContact O-N 2.76Å; T749-H752 PolarHBondContact N-ND1 2.9Å; T749-H752 WeakPolarHBondContact O-CB 3.33Å; T749-H752 PolarHBondContact O-N 3.34Å; T749-H752 PolarHBondContact OG1-ND1 2.74Å; T749-L753 PolarHBondContact O-N 2.69Å; T749-V775 HydrophobicContact CG2-CB 4.4Å; T749-V775 HydrophobicContact CG2-CG1 3.82Å
750P92.9Very high90.3Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-52.5-36.7172.9-27.235.5000113.2L716 H717 C720 I740 Q742 H752 L753 A754 L766L716-P750 HydrophobicContact CD2-CB 4.31Å; L716-P750 HydrophobicContact CD2-CG 3.79Å; L716-P750 HydrophobicContact CG-CB 4.14Å; L716-P750 HydrophobicContact CG-CG 3.91Å; H717-P750 WeakPolarHBondContact NE2-CD 2.92Å; C720-P750 HydrophobicContact CB-CB 3.95Å; I740-P750 WeakPolarHBondContact O-CD 3.28Å; Q742-P750 WeakPolarHBondContact O-CD 3.21Å; P750-H752 VanDerWaalsContact C-N 3.35Å; P750-H752 PolarHBondContact O-N 2.97Å; P750-L753 PolarHBondContact O-N 2.62Å; P750-A754 PolarHBondContact O-N 2.83Å; P750-L766 HydrophobicContact CB-CD1 4.41Å; P750-L766 HydrophobicContact CB-CD2 4.47Å
751L94.1Very high90.3Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-64.6-34175.2-176.163.3000113T749 T755 V763 L766 L767 A771 P783T749-L751 PolarHBondContact O-N 2.76Å; L751-T755 VanDerWaalsContact O-CB 3.24Å; L751-T755 WeakPolarHBondContact O-CB 3.41Å; L751-T755 PolarHBondContact O-N 3.01Å; L751-T755 PolarHBondContact O-OG1 3.01Å; L751-V763 HydrophobicContact CD1-CB 4.49Å; L751-V763 HydrophobicContact CD1-CG1 3.97Å; L751-V763 HydrophobicContact CD1-CG2 4.46Å; L751-L766 HydrophobicContact CB-CD1 4.22Å; L751-L766 HydrophobicContact CD1-CB 4.09Å; L751-L766 HydrophobicContact CD1-CD1 4.19Å; L751-L767 HydrophobicContact CD1-CD2 4.45Å; L751-L767 HydrophobicContact CD1-CG 4.36Å; L751-L767 HydrophobicContact CD2-CD2 4.04Å; L751-A771 HydrophobicContact CB-CB 4.21Å; L751-A771 HydrophobicContact CD2-CB 3.93Å; L751-A771 HydrophobicContact CG-CB 4.5Å; L751-P783 HydrophobicContact CB-CG 4.5Å; L751-P783 HydrophobicContact CD2-CB 4.46Å; L751-P783 HydrophobicContact CD2-CG 3.95Å; L751-P783 HydrophobicContact CG-CB 4.14Å; L751-P783 HydrophobicContact CG-CG 3.89Å
752H93Very high90.4Very high0 Ų035.6 Ų35.60%018%0.175CC..Hα-helixtrans-67.4-42.6173.1-70.272.2000111.3F748 T749 P750 T755 Q756 V775 L781 I786F748-H752 HydrophobicContact CB-CB 4.13Å; F748-H752 HydrophobicContact CD1-CB 3.68Å; F748-H752 HydrophobicContact CG-CB 4.28Å; T749-H752 PolarHBondContact N-ND1 2.9Å; T749-H752 WeakPolarHBondContact O-CB 3.33Å; T749-H752 PolarHBondContact O-N 3.34Å; T749-H752 PolarHBondContact OG1-ND1 2.74Å; P750-H752 VanDerWaalsContact C-N 3.35Å; P750-H752 PolarHBondContact O-N 2.97Å; H752-T755 PolarHBondContact O-N 2.8Å; H752-Q756 WeakPolarHBondContact O-CB 3.33Å; H752-Q756 PolarHBondContact O-N 2.88Å; H752-V775 PolarHBondContact CE1-O 3.45Å; H752-V775 PolarHBondContact NE2-O 3.04Å; H752-L781 PolarHBondContact NE2-O 3.31Å; H752-I786 HydrophobicContact CB-CD1 4.25Å
753L91.7Very high90.5Very high2 Ų232 Ų321%0.0116%0.158CC..Hα-helixtrans-69.1-45.4-177.7-62.8178.7000112.1Y713 H717 H721 F748 T749 P750 T755 Q756 Q757Y713-L753 HydrophobicContact CD1-CD1 4.11Å; Y713-L753 HydrophobicContact CE1-CD1 3.81Å; Y713-L753 HydrophobicContact CE1-CD2 4.49Å; H717-L753 HydrophobicContact CB-CD1 3.81Å; H721-L753 HydrophobicContact CB-CB 4.31Å; H721-L753 HydrophobicContact CB-CD1 4.44Å; F748-L753 HydrophobicContact CB-CD2 4.25Å; F748-L753 HydrophobicContact CB-CG 4.48Å; F748-L753 HydrophobicContact CD1-CD2 4Å; F748-L753 HydrophobicContact CG-CD2 4.41Å; T749-L753 PolarHBondContact O-N 2.69Å; P750-L753 PolarHBondContact O-N 2.62Å; L753-T755 PolarHBondContact O-N 2.91Å; L753-Q756 PolarHBondContact O-N 2.78Å; L753-Q756 VanDerWaalsContact O-N 3.12Å; L753-Q757 PolarHBondContact O-N 2.9Å
754A92.7Very high90.6Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-58.8-36173.700000111.9C720 P750 G758 H759 V762 V763 L766C720-A754 HydrophobicContact CB-CB 4.32Å; C720-A754 WeakPolarHBondContact O-CA 3.34Å; C720-A754 PolarHBondContact O-N 2.87Å; P750-A754 PolarHBondContact O-N 2.83Å; A754-G758 PolarHBondContact O-N 2.86Å; A754-H759 HydrophobicContact CB-CB 4.36Å; A754-H759 PolarHBondContact O-N 2.84Å; A754-V762 HydrophobicContact CB-CB 4.25Å; A754-V762 HydrophobicContact CB-CG1 3.82Å; A754-V763 HydrophobicContact CB-CG2 3.86Å; A754-L766 HydrophobicContact CB-CD1 4.04Å
755T92.8Very high90.7Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-74.6-33.5175.9-58.20000113.1L751 H752 L753 Q757 P783 I786 A787 Y792 I795 L799L751-T755 VanDerWaalsContact O-CB 3.24Å; L751-T755 WeakPolarHBondContact O-CB 3.41Å; L751-T755 PolarHBondContact O-N 3.01Å; L751-T755 PolarHBondContact O-OG1 3.01Å; H752-T755 PolarHBondContact O-N 2.8Å; L753-T755 PolarHBondContact O-N 2.91Å; T755-Q757 VanDerWaalsContact C-N 3.32Å; T755-Q757 PolarHBondContact O-N 2.84Å; T755-P783 HydrophobicContact CG2-CB 4.34Å; T755-P783 WeakPolarHBondContact CG2-O 3.18Å; T755-I786 HydrophobicContact CG2-CB 4.3Å; T755-I786 HydrophobicContact CG2-CG2 4.36Å; T755-A787 HydrophobicContact CG2-CB 3.58Å; T755-Y792 VanDerWaalsContact O-CD2 3.24Å; T755-Y792 WeakPolarHBondContact O-CD2 3.45Å; T755-Y792 VanDerWaalsContact O-CE2 3.31Å; T755-Y792 WeakPolarHBondContact O-CE2 3.41Å; T755-I795 HydrophobicContact CG2-CG2 3.89Å; T755-L799 HydrophobicContact CG2-CD1 3.85Å
756Q89.6Confident91.1Very high12 Ų1226.5 Ų26.56%0.05613%0.132CC..Hα-helixtrans-68.9-29178.8-177.7175.1-17.600113.1F748 H752 L753 I786 Q790 Y792F748-Q756 VanDerWaalsContact CE1-OE1 3.27Å; H752-Q756 WeakPolarHBondContact O-CB 3.33Å; H752-Q756 PolarHBondContact O-N 2.88Å; L753-Q756 PolarHBondContact O-N 2.78Å; L753-Q756 VanDerWaalsContact O-N 3.12Å; Q756-I786 HydrophobicContact CB-CG2 3.92Å; Q756-I786 HydrophobicContact CG-CG2 4.38Å; Q756-Q790 PolarHBondContact O-NE2 3.02Å; Q756-Y792 PolarHBondContact O-OH 3Å
757Q90Very high91.6Very high47 Ų4723.7 Ų23.722%0.2212%0.119CC..THydrogen-bonded Turntrans-104.72.6-177.2-57.5-60.6-7.400114.3H721 L753 T755H721-Q757 PolarHBondContact NE2-NE2 3.07Å; L753-Q757 PolarHBondContact O-N 2.9Å; T755-Q757 VanDerWaalsContact C-N 3.32Å; T755-Q757 PolarHBondContact O-N 2.84Å
758G89.7Confident91.7Very high24 Ų2430.2 Ų30.225%0.24715%0.148CC..THydrogen-bonded Turntrans84.615.3173.700000115.9A754 S760 Y792 I795A754-G758 PolarHBondContact O-N 2.86Å; G758-S760 VanDerWaalsContact C-N 3.29Å; G758-S760 PolarHBondContact O-N 3.06Å; G758-Y792 VanDerWaalsContact N-CE2 3.33Å; G758-I795 VanDerWaalsContact C-CD1 3.43Å
759H91.3Very high91.6Very high48 Ų4833.5 Ų33.522%0.22216%0.164CC..  trans-78.269-173.3-63.2-47000113.2C720 H721 F722 G723 A754 Q761 V762 V763C720-H759 PolarHBondContact O-CD2 3.4Å; H721-H759 PolarHBondContact O-CD2 3.22Å; H721-H759 PolarHBondContact O-NE2 2.97Å; F722-H759 VanDerWaalsContact C-NE2 3.35Å; F722-H759 PolarHBondContact O-CE1 2.86Å; F722-H759 PolarHBondContact O-NE2 3.46Å; G723-H759 PolarHBondContact N-NE2 2.89Å; A754-H759 HydrophobicContact CB-CB 4.36Å; A754-H759 PolarHBondContact O-N 2.84Å; H759-Q761 VanDerWaalsContact C-N 3.28Å; H759-Q761 PolarHBondContact O-N 3.27Å; H759-Q761 VanDerWaalsContact O-N 3.14Å; H759-V762 HydrophobicContact CB-CB 3.99Å; H759-V762 HydrophobicContact CB-CG2 4.14Å; H759-V762 PolarHBondContact O-N 2.81Å; H759-V763 PolarHBondContact O-N 3.11Å
760S90.7Very high91.4Very high35 Ų3536 Ų3625%0.24519%0.189CC..Hα-helixtrans-57.5-31.2-170.466.50000115.4G758 R764G758-S760 VanDerWaalsContact C-N 3.29Å; G758-S760 PolarHBondContact O-N 3.06Å; S760-R764 WeakPolarHBondContact O-CG 3.25Å; S760-R764 PolarHBondContact O-N 3.41Å
761Q90.8Very high91.3Very high122 Ų12236.3 Ų36.357%0.5719%0.192SC*.Hα-helixtrans-73.1-43.5175-61.9-174.30.400111.9I725 H759 V763 R764 L765I725-Q761 HydrophobicContact CD1-CB 3.85Å; H759-Q761 VanDerWaalsContact C-N 3.28Å; H759-Q761 PolarHBondContact O-N 3.27Å; H759-Q761 VanDerWaalsContact O-N 3.14Å; Q761-V763 VanDerWaalsContact C-N 3.3Å; Q761-V763 PolarHBondContact O-N 3.44Å; Q761-R764 PolarHBondContact O-N 2.83Å; Q761-L765 PolarHBondContact O-N 3.48Å
762V92.6Very high91.1Very high4 Ų439.3 Ų39.32%0.02421%0.209CC..Hα-helixtrans-63.2-37.8175.3179.20000110.7C720 I725 V728 A754 H759 R764 L765 L766C720-V762 HydrophobicContact CB-CG1 4.27Å; I725-V762 HydrophobicContact CB-CG2 4.2Å; I725-V762 HydrophobicContact CG1-CG2 4.48Å; V728-V762 HydrophobicContact CG1-CG1 4.37Å; V728-V762 HydrophobicContact CG2-CG1 4.15Å; A754-V762 HydrophobicContact CB-CB 4.25Å; A754-V762 HydrophobicContact CB-CG1 3.82Å; H759-V762 HydrophobicContact CB-CB 3.99Å; H759-V762 HydrophobicContact CB-CG2 4.14Å; H759-V762 PolarHBondContact O-N 2.81Å; V762-R764 PolarHBondContact O-N 3.18Å; V762-L765 PolarHBondContact O-N 2.96Å; V762-L766 HydrophobicContact CG1-CD1 3.96Å; V762-L766 HydrophobicContact CG1-CG 4.22Å; V762-L766 WeakPolarHBondContact O-CB 3.42Å; V762-L766 VanDerWaalsContact O-CG 3.25Å; V762-L766 WeakPolarHBondContact O-CG 3.45Å; V762-L766 PolarHBondContact O-N 2.71Å
763V92.5Very high90.9Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-61.2-42.4173.8172.10000111.9L751 A754 H759 Q761 L767 I795 L799L751-V763 HydrophobicContact CD1-CB 4.49Å; L751-V763 HydrophobicContact CD1-CG1 3.97Å; L751-V763 HydrophobicContact CD1-CG2 4.46Å; A754-V763 HydrophobicContact CB-CG2 3.86Å; H759-V763 PolarHBondContact O-N 3.11Å; Q761-V763 VanDerWaalsContact C-N 3.3Å; Q761-V763 PolarHBondContact O-N 3.44Å; V763-L767 HydrophobicContact CG1-CD1 3.99Å; V763-L767 VanDerWaalsContact O-CG 3.26Å; V763-L767 WeakPolarHBondContact O-CG 3.24Å; V763-L767 PolarHBondContact O-N 3.11Å; V763-L767 VanDerWaalsContact O-N 3.14Å; V763-I795 HydrophobicContact CB-CG2 4.48Å; V763-I795 HydrophobicContact CG1-CG2 4.11Å; V763-I795 HydrophobicContact CG2-CD1 4.49Å; V763-I795 HydrophobicContact CG2-CG2 4.15Å; V763-L799 HydrophobicContact CG1-CD2 4.24Å; V763-L799 HydrophobicContact CG1-CG 4.33Å
764R91.7Very high90.8Very high124 Ų12441.4 Ų41.447%0.46822%0.22SC..Hα-helixtrans-62.6-51.4174.4-68.9-178.1-150.2158.96.5111.5S760 Q761 V762 L766 L767 E768 I798S760-R764 WeakPolarHBondContact O-CG 3.25Å; S760-R764 PolarHBondContact O-N 3.41Å; Q761-R764 PolarHBondContact O-N 2.83Å; V762-R764 PolarHBondContact O-N 3.18Å; R764-L766 VanDerWaalsContact C-N 3.29Å; R764-L766 PolarHBondContact O-N 3.37Å; R764-L767 PolarHBondContact O-N 3.48Å; R764-E768 WeakPolarHBondContact O-CB 3.26Å; R764-E768 WeakPolarHBondContact O-CG 3.18Å; R764-E768 PolarHBondContact O-N 3.22Å; R764-I798 HydrophobicContact CG-CD1 3.96Å
765L92.4Very high90.5Very high11 Ų1141.8 Ų41.86%0.05822%0.223CC..Hα-helixtrans-55.7-43.6179.4177.564.2000111.9I725 V728 R729 Q761 V762 L767 E768 M769I725-L765 HydrophobicContact CG1-CD2 3.93Å; V728-L765 HydrophobicContact CB-CD2 4.17Å; V728-L765 HydrophobicContact CG1-CD2 3.72Å; V728-L765 HydrophobicContact CG1-CG 4.45Å; R729-L765 HydrophobicContact CG-CD1 4.13Å; R729-L765 HydrophobicContact CG-CD2 3.55Å; R729-L765 HydrophobicContact CG-CG 4.5Å; Q761-L765 PolarHBondContact O-N 3.48Å; V762-L765 PolarHBondContact O-N 2.96Å; L765-L767 PolarHBondContact O-N 3.17Å; L765-E768 PolarHBondContact O-N 2.72Å; L765-M769 HydrophobicContact CD1-CE 4.01Å; L765-M769 HydrophobicContact CD1-CG 4.17Å; L765-M769 WeakPolarHBondContact O-CB 3.42Å; L765-M769 VanDerWaalsContact O-CG 3.25Å; L765-M769 WeakPolarHBondContact O-CG 3.43Å; L765-M769 PolarHBondContact O-N 3.39Å
766L93Very high90.3Very high0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-63.8-38.6176.5-72.7172.2000112.5V728 L732 I740 P750 L751 A754 V762 R764 M769 G770 A771V728-L766 HydrophobicContact CG1-CD2 4.27Å; L732-L766 HydrophobicContact CD1-CD2 4.18Å; I740-L766 HydrophobicContact CD1-CD2 3.85Å; I740-L766 HydrophobicContact CG1-CD2 3.78Å; P750-L766 HydrophobicContact CB-CD1 4.41Å; P750-L766 HydrophobicContact CB-CD2 4.47Å; L751-L766 HydrophobicContact CB-CD1 4.22Å; L751-L766 HydrophobicContact CD1-CB 4.09Å; L751-L766 HydrophobicContact CD1-CD1 4.19Å; A754-L766 HydrophobicContact CB-CD1 4.04Å; V762-L766 HydrophobicContact CG1-CD1 3.96Å; V762-L766 HydrophobicContact CG1-CG 4.22Å; V762-L766 WeakPolarHBondContact O-CB 3.42Å; V762-L766 VanDerWaalsContact O-CG 3.25Å; V762-L766 WeakPolarHBondContact O-CG 3.45Å; V762-L766 PolarHBondContact O-N 2.71Å; R764-L766 VanDerWaalsContact C-N 3.29Å; R764-L766 PolarHBondContact O-N 3.37Å; L766-M769 CarbonylContact O-C 3.57Å; L766-M769 PolarHBondContact O-N 2.87Å; L766-G770 PolarHBondContact O-N 2.73Å; L766-A771 HydrophobicContact CB-CB 3.99Å; L766-A771 WeakPolarHBondContact O-CB 3.24Å; L766-A771 PolarHBondContact O-N 2.79Å
767L91.7Very high90.1Very high39 Ų3946.2 Ų46.220%0.20424%0.239CC..Hα-helixtrans-71.4-39.4176.7-68.5168.3000112L751 V763 R764 L765 M769 G770 I798 L799 V802L751-L767 HydrophobicContact CD1-CD2 4.45Å; L751-L767 HydrophobicContact CD1-CG 4.36Å; L751-L767 HydrophobicContact CD2-CD2 4.04Å; V763-L767 HydrophobicContact CG1-CD1 3.99Å; V763-L767 VanDerWaalsContact O-CG 3.26Å; V763-L767 WeakPolarHBondContact O-CG 3.24Å; V763-L767 PolarHBondContact O-N 3.11Å; V763-L767 VanDerWaalsContact O-N 3.14Å; R764-L767 PolarHBondContact O-N 3.48Å; L765-L767 PolarHBondContact O-N 3.17Å; L767-M769 VanDerWaalsContact C-N 3.28Å; L767-M769 PolarHBondContact O-N 2.94Å; L767-G770 PolarHBondContact O-N 2.94Å; L767-G770 VanDerWaalsContact O-N 3.08Å; L767-I798 HydrophobicContact CD1-CG2 3.63Å; L767-L799 HydrophobicContact CD1-CD2 3.98Å; L767-L799 HydrophobicContact CD2-CD2 4.28Å; L767-V802 HydrophobicContact CD1-CG2 4.24Å; L767-V802 HydrophobicContact CD2-CG2 4.07Å
768E89.5Confident89.8Confident145 Ų14550.5 Ų50.568%0.67826%0.26SS*.Hα-helixtrans-61-37.8173.1-71.9159.8-162.300111.2R764 L765 G770R764-E768 WeakPolarHBondContact O-CB 3.26Å; R764-E768 WeakPolarHBondContact O-CG 3.18Å; R764-E768 PolarHBondContact O-N 3.22Å; L765-E768 PolarHBondContact O-N 2.72Å; E768-G770 VanDerWaalsContact C-N 3.3Å; E768-G770 PolarHBondContact O-N 3.42Å
769M88.4Confident89.3Confident91 Ų9153.4 Ų53.445%0.44827%0.267SS..THydrogen-bonded Turntrans-85.610.4174.1-60.8-59.6176.400114.2L732 I740 L765 L766 L767L732-M769 HydrophobicContact CD1-CB 4.16Å; L732-M769 HydrophobicContact CD1-CG 4.16Å; I740-M769 HydrophobicContact CD1-CB 3.76Å; L765-M769 HydrophobicContact CD1-CE 4.01Å; L765-M769 HydrophobicContact CD1-CG 4.17Å; L765-M769 WeakPolarHBondContact O-CB 3.42Å; L765-M769 VanDerWaalsContact O-CG 3.25Å; L765-M769 WeakPolarHBondContact O-CG 3.43Å; L765-M769 PolarHBondContact O-N 3.39Å; L766-M769 CarbonylContact O-C 3.57Å; L766-M769 PolarHBondContact O-N 2.87Å; L767-M769 VanDerWaalsContact C-N 3.28Å; L767-M769 PolarHBondContact O-N 2.94Å
770G88.2Confident88.8Confident51 Ų5152.4 Ų52.453%0.52627%0.269SS..THydrogen-bonded Turntrans86.125167.900000117.2L766 L767 E768L766-G770 PolarHBondContact O-N 2.73Å; L767-G770 PolarHBondContact O-N 2.94Å; L767-G770 VanDerWaalsContact O-N 3.08Å; E768-G770 VanDerWaalsContact C-N 3.3Å; E768-G770 PolarHBondContact O-N 3.42Å
771A90.8Very high88.6Confident8 Ų850.8 Ų50.87%0.06626%0.258CS..  trans-64.5136170.800000112I740 L751 L766 S773I740-A771 HydrophobicContact CD1-CB 3.93Å; I740-A771 HydrophobicContact CG1-CB 4Å; L751-A771 HydrophobicContact CB-CB 4.21Å; L751-A771 HydrophobicContact CD2-CB 3.93Å; L751-A771 HydrophobicContact CG-CB 4.5Å; L766-A771 HydrophobicContact CB-CB 3.99Å; L766-A771 WeakPolarHBondContact O-CB 3.24Å; L766-A771 PolarHBondContact O-N 2.79Å; A771-S773 PolarHBondContact O-N 2.95Å
772D89.8Confident88.6Confident63 Ų6345 Ų4534%0.33723%0.231SC..  trans-81.9107.1-176.8177.419.9000111.9N741 N774 V775N741-D772 PolarHBondContact OD1-N 3.11Å; D772-N774 PolarHBondContact O-N 3.47Å; D772-N774 VanDerWaalsContact O-N 3.13Å; D772-N774 VanDerWaalsContact OD1-CB 3.22Å; D772-N774 WeakPolarHBondContact OD1-CB 3.11Å; D772-N774 PolarHBondContact OD1-N 2.93Å; D772-N774 PolarHBondContact OD1-ND2 2.94Å; D772-V775 HydrophobicContact CB-CG2 3.84Å; D772-V775 PolarHBondContact O-N 2.96Å; D772-V775 WeakPolarHBondContact OD2-CG2 3.43Å
773S89.4Confident88.5Confident7 Ų744.8 Ų44.85%0.04923%0.229CC..THydrogen-bonded Turntrans-63-9.2175.764.30000114.8A771 V802 T803A771-S773 PolarHBondContact O-N 2.95Å; S773-V802 VanDerWaalsContact OG-C 3.31Å; S773-V802 PolarHBondContact OG-O 3.23Å; S773-T803 PolarHBondContact O-OG1 2.8Å
774N88.6Confident88.4Confident39 Ų3944.8 Ų44.821%0.20923%0.229CC..THydrogen-bonded Turntrans-102.8-8.5-175.2-51.7-85.6000112.8D772 R776 T804 T805D772-N774 PolarHBondContact O-N 3.47Å; D772-N774 VanDerWaalsContact O-N 3.13Å; D772-N774 VanDerWaalsContact OD1-CB 3.22Å; D772-N774 WeakPolarHBondContact OD1-CB 3.11Å; D772-N774 PolarHBondContact OD1-N 2.93Å; D772-N774 PolarHBondContact OD1-ND2 2.94Å; N774-R776 PolarHBondContact O-N 2.89Å; N774-T804 PolarHBondContact OD1-N 3.34Å; N774-T804 PolarHBondContact OD1-OG1 2.93Å; N774-T805 HydrophobicContact CB-CG2 3.78Å
775V88.1Confident88.2Confident8 Ų839.8 Ų39.85%0.04821%0.211CC..  trans-59.7130.9175.6176.30000109.7T749 H752 D772 T782T749-V775 HydrophobicContact CG2-CB 4.4Å; T749-V775 HydrophobicContact CG2-CG1 3.82Å; H752-V775 PolarHBondContact CE1-O 3.45Å; H752-V775 PolarHBondContact NE2-O 3.04Å; D772-V775 HydrophobicContact CB-CG2 3.84Å; D772-V775 PolarHBondContact O-N 2.96Å; D772-V775 WeakPolarHBondContact OD2-CG2 3.43Å; V775-T782 WeakPolarHBondContact O-CA 3.48Å
776R87.1Confident88Confident95 Ų9539.3 Ų39.336%0.35821%0.209SC..  trans-101.3136.2170-68.6177.6178.8-122.110.8111.2R743 N774 G780 L781 T782 E812R743-R776 PolarHBondContact NH1-O 3.16Å; N774-R776 PolarHBondContact O-N 2.89Å; R776-G780 VanDerWaalsContact CD-O 3.25Å; R776-G780 WeakPolarHBondContact CD-O 3.33Å; R776-G780 WeakPolarHBondContact CG-O 3.33Å; R776-G780 PolarHBondContact NH1-O 3.2Å; R776-L781 CarbonylContact C-O 3.54Å; R776-L781 WeakPolarHBondContact CA-O 3.41Å; R776-T782 HydrophobicContact CG-CG2 3.67Å; R776-E812 IonicContact NH2-OE1 3.11Å
777N85.6Confident87.9Confident9 Ų939.3 Ų39.35%0.04821%0.209CC..  trans-72.6-177.7171.477-4.4000111.8F748 Q779 G780 L781F748-N777 HydrophobicContact CD2-CB 4.18Å; F748-N777 HydrophobicContact CE2-CB 4.32Å; F748-N777 WeakPolarHBondContact CE2-ND2 3.2Å; F748-N777 HydrophobicContact CG-CB 4.5Å; F748-N777 VanDerWaalsContact CZ-ND2 3.27Å; F748-N777 WeakPolarHBondContact CZ-ND2 3.33Å; N777-Q779 PolarHBondContact O-N 2.85Å; N777-Q779 WeakPolarHBondContact OD1-CA 3.24Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.39Å; N777-Q779 PolarHBondContact OD1-N 2.89Å; N777-G780 PolarHBondContact O-N 2.88Å; N777-G780 PolarHBondContact OD1-N 2.84Å; N777-G780 VanDerWaalsContact OD1-N 3.14Å; N777-L781 PolarHBondContact N-O 3.5Å; N777-L781 PolarHBondContact OD1-N 2.68Å
778Q83.3Confident87.6Confident138 Ų13840.8 Ų40.865%0.64521%0.211SC*.THydrogen-bonded Turntrans-65.1-21.6178.8-75.8177.65.100114.5Q745 M746Q745-Q778 PolarHBondContact O-NE2 2.86Å; M746-Q778 WeakPolarHBondContact O-CB 3.42Å; M746-Q778 WeakPolarHBondContact O-CG 3.23Å; M746-Q778 PolarHBondContact O-N 3.42Å
779Q79Confident87.3Confident85 Ų8536.8 Ų36.840%0.39719%0.192SC..THydrogen-bonded Turntrans-830.9172.9-62.7173.5-29.600112.5N777 L781 L820 M821N777-Q779 PolarHBondContact O-N 2.85Å; N777-Q779 WeakPolarHBondContact OD1-CA 3.24Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.39Å; N777-Q779 PolarHBondContact OD1-N 2.89Å; Q779-L781 VanDerWaalsContact C-N 3.3Å; Q779-L781 HydrophobicContact CB-CG 4.23Å; Q779-L781 PolarHBondContact O-N 3.21Å; Q779-L820 HydrophobicContact CB-CD2 4.02Å; Q779-L820 HydrophobicContact CG-CD2 4.37Å; Q779-M821 PolarHBondContact NE2-O 3.01Å
780G82.6Confident87.1Confident26 Ų2634.9 Ų34.927%0.26818%0.182SC..SBendtrans79.26.7-179.100000114.8R776 N777R776-G780 VanDerWaalsContact CD-O 3.25Å; R776-G780 WeakPolarHBondContact CD-O 3.33Å; R776-G780 WeakPolarHBondContact CG-O 3.33Å; R776-G780 PolarHBondContact NH1-O 3.2Å; N777-G780 PolarHBondContact O-N 2.88Å; N777-G780 PolarHBondContact OD1-N 2.84Å; N777-G780 VanDerWaalsContact OD1-N 3.14Å
781L85.8Confident86.9Confident2 Ų240 Ų401%0.0119%0.192CC..  trans-82.6137.8179.4-56.5-172.6000111.4H752 R776 N777 Q779 H785 I786 L816 L820H752-L781 PolarHBondContact NE2-O 3.31Å; R776-L781 CarbonylContact C-O 3.54Å; R776-L781 WeakPolarHBondContact CA-O 3.41Å; N777-L781 PolarHBondContact N-O 3.5Å; N777-L781 PolarHBondContact OD1-N 2.68Å; Q779-L781 VanDerWaalsContact C-N 3.3Å; Q779-L781 HydrophobicContact CB-CG 4.23Å; Q779-L781 PolarHBondContact O-N 3.21Å; L781-H785 HydrophobicContact CB-CB 4.17Å; L781-H785 HydrophobicContact CD2-CB 4.02Å; L781-I786 HydrophobicContact CB-CG1 4.22Å; L781-I786 HydrophobicContact CD1-CG1 3.86Å; L781-L816 HydrophobicContact CD2-CD2 3.42Å; L781-L816 VanDerWaalsContact CD2-CD2 3.42Å; L781-L820 HydrophobicContact CD1-CD1 4.12Å; L781-L820 HydrophobicContact CD1-CD2 3.92Å; L781-L820 HydrophobicContact CD2-CD1 3.86Å; L781-L820 HydrophobicContact CD2-CD2 4.25Å; L781-L820 HydrophobicContact CG-CD2 4.22Å
782T90.6Very high86.7Confident0 Ų042.9 Ų42.90%020%0.202CC..  trans-83.6166.7160.464.40000110.2V775 R776 A784 H785 I786 T803V775-T782 WeakPolarHBondContact O-CA 3.48Å; R776-T782 HydrophobicContact CG-CG2 3.67Å; T782-A784 PolarHBondContact O-N 2.86Å; T782-A784 PolarHBondContact OG1-N 3.18Å; T782-H785 WeakPolarHBondContact O-CB 3.33Å; T782-H785 PolarHBondContact O-N 2.85Å; T782-H785 PolarHBondContact OG1-CD2 2.86Å; T782-H785 PolarHBondContact OG1-N 2.67Å; T782-H785 PolarHBondContact OG1-NE2 3.2Å; T782-I786 PolarHBondContact O-N 3.49Å; T782-T803 HydrophobicContact CG2-CG2 4.35Å
783P90.2Very high86.5Confident0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-53.3-40.4170.1-26.735.9000112.2L751 T755 H785 I786 A787 L799L751-P783 HydrophobicContact CB-CG 4.5Å; L751-P783 HydrophobicContact CD2-CB 4.46Å; L751-P783 HydrophobicContact CD2-CG 3.95Å; L751-P783 HydrophobicContact CG-CB 4.14Å; L751-P783 HydrophobicContact CG-CG 3.89Å; T755-P783 HydrophobicContact CG2-CB 4.34Å; T755-P783 WeakPolarHBondContact CG2-O 3.18Å; P783-H785 VanDerWaalsContact C-N 3.25Å; P783-H785 PolarHBondContact O-N 3.04Å; P783-I786 WeakPolarHBondContact O-CB 3.48Å; P783-I786 PolarHBondContact O-N 3.43Å; P783-I786 VanDerWaalsContact O-N 3.07Å; P783-A787 PolarHBondContact O-N 2.79Å; P783-L799 HydrophobicContact CB-CD1 3.9Å; P783-L799 HydrophobicContact CB-CD2 4.36Å
784A89.9Confident86.4Confident0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-60.3-32.8178.200000113.2T782 R788 F796 L799 T803 W809T782-A784 PolarHBondContact O-N 2.86Å; T782-A784 PolarHBondContact OG1-N 3.18Å; A784-R788 PolarHBondContact O-N 2.93Å; A784-R788 VanDerWaalsContact O-N 3.16Å; A784-F796 WeakPolarHBondContact O-CD2 3.43Å; A784-L799 HydrophobicContact CB-CB 3.92Å; A784-T803 HydrophobicContact CB-CG2 4.42Å; A784-W809 HydrophobicContact CB-CH2 3.58Å; A784-W809 HydrophobicContact CB-CZ2 4.4Å; A784-W809 HydrophobicContact CB-CZ3 4.31Å
785H89.3Confident86.4Confident19 Ų1946.8 Ų46.89%0.08823%0.228CC..Hα-helixtrans-71.4-37.9177-60.8-167.9000110.7L781 T782 P783 K789 V806 W809 E812L781-H785 HydrophobicContact CB-CB 4.17Å; L781-H785 HydrophobicContact CD2-CB 4.02Å; T782-H785 WeakPolarHBondContact O-CB 3.33Å; T782-H785 PolarHBondContact O-N 2.85Å; T782-H785 PolarHBondContact OG1-CD2 2.86Å; T782-H785 PolarHBondContact OG1-N 2.67Å; T782-H785 PolarHBondContact OG1-NE2 3.2Å; P783-H785 VanDerWaalsContact C-N 3.25Å; P783-H785 PolarHBondContact O-N 3.04Å; H785-K789 WeakPolarHBondContact O-CB 3.32Å; H785-K789 PolarHBondContact O-N 3.08Å; H785-V806 VanDerWaalsContact NE2-CG2 3.31Å; H785-V806 WeakPolarHBondContact NE2-CG2 3.4Å; H785-W809 AromaticContact CD2-CZ3 3.82Å; H785-E812 IonicContact CE1-OE2 3.72Å; H785-E812 PolarHBondContact CE1-OE2 3.5Å; H785-E812 IonicContact NE2-OE2 2.79Å
786I87.8Confident86.5Confident0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-66.1-46.6174.4-61.5177.3000110.5F748 H752 T755 Q756 L781 T782 P783 R788 K789 Q790F748-I786 HydrophobicContact CE1-CD1 4.01Å; H752-I786 HydrophobicContact CB-CD1 4.25Å; T755-I786 HydrophobicContact CG2-CB 4.3Å; T755-I786 HydrophobicContact CG2-CG2 4.36Å; Q756-I786 HydrophobicContact CB-CG2 3.92Å; Q756-I786 HydrophobicContact CG-CG2 4.38Å; L781-I786 HydrophobicContact CB-CG1 4.22Å; L781-I786 HydrophobicContact CD1-CG1 3.86Å; T782-I786 PolarHBondContact O-N 3.49Å; P783-I786 WeakPolarHBondContact O-CB 3.48Å; P783-I786 PolarHBondContact O-N 3.43Å; P783-I786 VanDerWaalsContact O-N 3.07Å; I786-R788 VanDerWaalsContact C-N 3.26Å; I786-R788 PolarHBondContact O-N 3.02Å; I786-K789 PolarHBondContact O-N 2.92Å; I786-K789 VanDerWaalsContact O-N 3.15Å; I786-Q790 HydrophobicContact CG2-CG 4.17Å; I786-Q790 WeakPolarHBondContact O-CG 3.38Å; I786-Q790 PolarHBondContact O-N 3.41Å
787A89.3Confident86.6Confident0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-55-43.3177.800000112T755 P783 H791 Y792 I795 F796 L799T755-A787 HydrophobicContact CG2-CB 3.58Å; P783-A787 PolarHBondContact O-N 2.79Å; A787-H791 PolarHBondContact O-N 2.72Å; A787-Y792 PolarHBondContact O-N 2.81Å; A787-I795 HydrophobicContact CB-CB 4.32Å; A787-I795 HydrophobicContact CB-CG2 3.95Å; A787-F796 HydrophobicContact CB-CB 3.98Å; A787-L799 HydrophobicContact CB-CD1 4.1Å
788R86.8Confident86.7Confident70 Ų7048.4 Ų48.426%0.26424%0.242SC..Hα-helixtrans-68.8-42.8177.5-173.4167.8178.1159.9-8.7112.7A784 I786 H791 F796 W809 H813A784-R788 PolarHBondContact O-N 2.93Å; A784-R788 VanDerWaalsContact O-N 3.16Å; I786-R788 VanDerWaalsContact C-N 3.26Å; I786-R788 PolarHBondContact O-N 3.02Å; R788-H791 PolarHBondContact O-N 2.8Å; R788-H791 VanDerWaalsContact O-N 3.14Å; R788-H791 PolarHBondContact O-ND1 3.43Å; R788-F796 HydrophobicContact CB-CD2 3.8Å; R788-F796 HydrophobicContact CB-CE2 4.01Å; R788-F796 HydrophobicContact CB-CG 4.31Å; R788-F796 HydrophobicContact CG-CE2 4.48Å; R788-W809 VanDerWaalsContact CZ-O 3.28Å; R788-W809 PolarHBondContact NH1-O 2.91Å; R788-W809 PolarHBondContact NH2-O 3.17Å; R788-H813 PolarHBondContact NE-CD2 3.23Å; R788-H813 PolarHBondContact NE-NE2 3.44Å; R788-H813 PolarHBondContact NH2-CD2 3.21Å; R788-H813 PolarHBondContact NH2-NE2 3.28Å
789K82.9Confident86.9Confident61 Ų6141.8 Ų41.827%0.26521%0.212SC..Hα-helixtrans-68.5-32-179.5-173.4164.1-169.4-79.60113.2H785 I786 H791 L820H785-K789 WeakPolarHBondContact O-CB 3.32Å; H785-K789 PolarHBondContact O-N 3.08Å; I786-K789 PolarHBondContact O-N 2.92Å; I786-K789 VanDerWaalsContact O-N 3.15Å; K789-H791 VanDerWaalsContact C-N 3.29Å; K789-L820 HydrophobicContact CD-CB 4.13Å; K789-L820 HydrophobicContact CD-CD1 3.84Å; K789-L820 PolarHBondContact NZ-O 3.22Å
790Q83.5Confident87.3Confident52 Ų5242.3 Ų42.324%0.24321%0.212CC..THydrogen-bonded Turntrans-898.7173.3-59-70.578.300112.8Q756 I786 Y792 L822Q756-Q790 PolarHBondContact O-NE2 3.02Å; I786-Q790 HydrophobicContact CG2-CG 4.17Å; I786-Q790 WeakPolarHBondContact O-CG 3.38Å; I786-Q790 PolarHBondContact O-N 3.41Å; Q790-Y792 HydrophobicContact CB-CD2 3.55Å; Q790-Y792 HydrophobicContact CB-CE2 3.36Å; Q790-Y792 HydrophobicContact CB-CG 4.31Å; Q790-Y792 HydrophobicContact CG-CD2 4.47Å; Q790-Y792 HydrophobicContact CG-CE2 4.02Å; Q790-Y792 PolarHBondContact O-N 3.28Å; Q790-Y792 VanDerWaalsContact O-N 3.13Å; Q790-L822 HydrophobicContact CG-CD1 4.34Å
791H84.7Confident87.3Confident158 Ų15846.7 Ų46.773%0.73123%0.234SC*.THydrogen-bonded Turntrans55.724.1-179.9-56.8-46.8000116.3A787 R788 K789 V793A787-H791 PolarHBondContact O-N 2.72Å; R788-H791 PolarHBondContact O-N 2.8Å; R788-H791 VanDerWaalsContact O-N 3.14Å; R788-H791 PolarHBondContact O-ND1 3.43Å; K789-H791 VanDerWaalsContact C-N 3.29Å; H791-V793 VanDerWaalsContact C-N 3.28Å; H791-V793 PolarHBondContact O-N 3.5Å
792Y86.4Confident87.3Confident69 Ų6949.2 Ų49.227%0.27125%0.25SC..  trans-76.675175.2-60.2-48.4000111.5T755 Q756 G758 A787 Q790 T794 I795 F796T755-Y792 VanDerWaalsContact O-CD2 3.24Å; T755-Y792 WeakPolarHBondContact O-CD2 3.45Å; T755-Y792 VanDerWaalsContact O-CE2 3.31Å; T755-Y792 WeakPolarHBondContact O-CE2 3.41Å; Q756-Y792 PolarHBondContact O-OH 3Å; G758-Y792 VanDerWaalsContact N-CE2 3.33Å; A787-Y792 PolarHBondContact O-N 2.81Å; Q790-Y792 HydrophobicContact CB-CD2 3.55Å; Q790-Y792 HydrophobicContact CB-CE2 3.36Å; Q790-Y792 HydrophobicContact CB-CG 4.31Å; Q790-Y792 HydrophobicContact CG-CD2 4.47Å; Q790-Y792 HydrophobicContact CG-CE2 4.02Å; Q790-Y792 PolarHBondContact O-N 3.28Å; Q790-Y792 VanDerWaalsContact O-N 3.13Å; Y792-T794 VanDerWaalsContact C-N 3.32Å; Y792-T794 PolarHBondContact O-N 3.36Å; Y792-I795 HydrophobicContact CD2-CD1 4.48Å; Y792-I795 HydrophobicContact CG-CD1 4.33Å; Y792-I795 PolarHBondContact O-N 3.31Å; Y792-F796 PolarHBondContact O-N 3.49Å
793V85.7Confident87Confident96 Ų9649.7 Ų49.758%0.58225%0.252SS*.Hα-helixtrans-48.4-49.2-175-176.60000112.7H791 I795 F796 D797H791-V793 VanDerWaalsContact C-N 3.28Å; H791-V793 PolarHBondContact O-N 3.5Å; V793-I795 VanDerWaalsContact C-N 3.33Å; V793-I795 PolarHBondContact O-N 3.02Å; V793-F796 PolarHBondContact O-N 3.37Å; V793-D797 PolarHBondContact O-N 3.48Å
794T86.6Confident86.6Confident93 Ų9355.2 Ų55.257%0.57129%0.286SS*.Hα-helixtrans-63.6-35.7-178.452.30000113.2Y792 I798Y792-T794 VanDerWaalsContact C-N 3.32Å; Y792-T794 PolarHBondContact O-N 3.36Å; T794-I798 WeakPolarHBondContact O-CD1 3.27Å; T794-I798 VanDerWaalsContact O-CG1 3.27Å; T794-I798 WeakPolarHBondContact O-CG1 3.43Å; T794-I798 PolarHBondContact O-N 2.86Å
795I89.2Confident85.9Confident1 Ų158 Ų581%0.00530%0.303CS..Hα-helixtrans-77.1-38.2177.4-60.6-178.9000110.4T755 G758 V763 A787 Y792 V793 I798 L799T755-I795 HydrophobicContact CG2-CG2 3.89Å; G758-I795 VanDerWaalsContact C-CD1 3.43Å; V763-I795 HydrophobicContact CB-CG2 4.48Å; V763-I795 HydrophobicContact CG1-CG2 4.11Å; V763-I795 HydrophobicContact CG2-CD1 4.49Å; V763-I795 HydrophobicContact CG2-CG2 4.15Å; A787-I795 HydrophobicContact CB-CB 4.32Å; A787-I795 HydrophobicContact CB-CG2 3.95Å; Y792-I795 HydrophobicContact CD2-CD1 4.48Å; Y792-I795 HydrophobicContact CG-CD1 4.33Å; Y792-I795 PolarHBondContact O-N 3.31Å; V793-I795 VanDerWaalsContact C-N 3.33Å; V793-I795 PolarHBondContact O-N 3.02Å; I795-I798 PolarHBondContact O-N 3.3Å; I795-L799 HydrophobicContact CG2-CD1 3.69Å; I795-L799 HydrophobicContact CG2-CG 4.34Å; I795-L799 WeakPolarHBondContact O-CB 3.43Å; I795-L799 WeakPolarHBondContact O-CG 3.26Å; I795-L799 PolarHBondContact O-N 2.9Å
796F90.6Very high84.9Confident23 Ų2357.8 Ų57.810%0.10130%0.304CS..Hα-helixtrans-62.7-45174.3179-111.7000111.4A784 A787 R788 Y792 V793 I798 L799 K800 W809A784-F796 WeakPolarHBondContact O-CD2 3.43Å; A787-F796 HydrophobicContact CB-CB 3.98Å; R788-F796 HydrophobicContact CB-CD2 3.8Å; R788-F796 HydrophobicContact CB-CE2 4.01Å; R788-F796 HydrophobicContact CB-CG 4.31Å; R788-F796 HydrophobicContact CG-CE2 4.48Å; Y792-F796 PolarHBondContact O-N 3.49Å; V793-F796 PolarHBondContact O-N 3.37Å; F796-I798 VanDerWaalsContact C-N 3.35Å; F796-I798 PolarHBondContact O-N 3.03Å; F796-L799 PolarHBondContact O-N 2.69Å; F796-K800 HydrophobicContact CE1-CD 3.87Å; F796-K800 HydrophobicContact CZ-CB 4.44Å; F796-K800 HydrophobicContact CZ-CD 4.11Å; F796-K800 WeakPolarHBondContact O-CB 3.48Å; F796-K800 PolarHBondContact O-N 2.59Å; F796-W809 HydrophobicContact CE2-CD2 4.2Å; F796-W809 AromaticContact CE2-CE3 3.75Å; F796-W809 HydrophobicContact CE2-CE3 3.75Å; F796-W809 HydrophobicContact CE2-CH2 4.06Å; F796-W809 HydrophobicContact CE2-CZ2 4.46Å; F796-W809 AromaticContact CE2-CZ3 3.68Å; F796-W809 HydrophobicContact CE2-CZ3 3.68Å; F796-W809 AromaticContact CZ-CD2 3.88Å; F796-W809 HydrophobicContact CZ-CD2 3.88Å; F796-W809 AromaticContact CZ-CE3 3.75Å; F796-W809 HydrophobicContact CZ-CE3 3.75Å; F796-W809 HydrophobicContact CZ-CG 4.36Å; F796-W809 HydrophobicContact CZ-CZ3 4.18Å
797D88.4Confident84.1Confident82 Ų8264.7 Ų64.744%0.43935%0.346SS..Hα-helixtrans-64-37.3178-78.2-33.4000112.5V793V793-D797 PolarHBondContact O-N 3.48Å
798I87.2Confident83.2Confident41 Ų4166.1 Ų66.121%0.2136%0.355CS..Hα-helixtrans-61.1-58.8170.7-68.8163.7000109.9R764 L767 T794 I795 F796 K800 T801R764-I798 HydrophobicContact CG-CD1 3.96Å; L767-I798 HydrophobicContact CD1-CG2 3.63Å; T794-I798 WeakPolarHBondContact O-CD1 3.27Å; T794-I798 VanDerWaalsContact O-CG1 3.27Å; T794-I798 WeakPolarHBondContact O-CG1 3.43Å; T794-I798 PolarHBondContact O-N 2.86Å; I795-I798 PolarHBondContact O-N 3.3Å; F796-I798 VanDerWaalsContact C-N 3.35Å; F796-I798 PolarHBondContact O-N 3.03Å; I798-K800 VanDerWaalsContact C-N 3.32Å; I798-K800 PolarHBondContact O-N 3Å; I798-T801 PolarHBondContact O-N 3.29Å; I798-T801 VanDerWaalsContact O-N 3.13Å; I798-T801 PolarHBondContact O-OG1 3.32Å
799L89.3Confident82.5Confident0 Ų065.2 Ų65.20%035%0.352CS..Hα-helixtrans-64.1-34.1-174-70.8168.6000113T755 V763 L767 P783 A784 A787 I795 F796 T801 V802 T803T755-L799 HydrophobicContact CG2-CD1 3.85Å; V763-L799 HydrophobicContact CG1-CD2 4.24Å; V763-L799 HydrophobicContact CG1-CG 4.33Å; L767-L799 HydrophobicContact CD1-CD2 3.98Å; L767-L799 HydrophobicContact CD2-CD2 4.28Å; P783-L799 HydrophobicContact CB-CD1 3.9Å; P783-L799 HydrophobicContact CB-CD2 4.36Å; A784-L799 HydrophobicContact CB-CB 3.92Å; A787-L799 HydrophobicContact CB-CD1 4.1Å; I795-L799 HydrophobicContact CG2-CD1 3.69Å; I795-L799 HydrophobicContact CG2-CG 4.34Å; I795-L799 WeakPolarHBondContact O-CB 3.43Å; I795-L799 WeakPolarHBondContact O-CG 3.26Å; I795-L799 PolarHBondContact O-N 2.9Å; F796-L799 PolarHBondContact O-N 2.69Å; L799-T801 PolarHBondContact O-N 2.77Å; L799-V802 HydrophobicContact CD2-CG2 4.37Å; L799-V802 VanDerWaalsContact O-CG2 3.3Å; L799-V802 WeakPolarHBondContact O-CG2 3.08Å; L799-V802 PolarHBondContact O-N 3.17Å; L799-T803 PolarHBondContact O-N 3.24Å; L799-T803 PolarHBondContact O-OG1 2.95Å
800K85.9Confident81.5Confident95 Ų9570.2 Ų70.241%0.41338%0.376SS..Hα-helixtrans-58.8-25.1175.9175.5-179.4177.4-172.90113.6F796 I798F796-K800 HydrophobicContact CE1-CD 3.87Å; F796-K800 HydrophobicContact CZ-CB 4.44Å; F796-K800 HydrophobicContact CZ-CD 4.11Å; F796-K800 WeakPolarHBondContact O-CB 3.48Å; F796-K800 PolarHBondContact O-N 2.59Å; I798-K800 VanDerWaalsContact C-N 3.32Å; I798-K800 PolarHBondContact O-N 3Å
801T83.4Confident80.2Confident118 Ų11874.6 Ų74.672%0.72440%0.397SS*.Hα-helixtrans-82.7-17.9175.565.20000113.7I798 L799I798-T801 PolarHBondContact O-N 3.29Å; I798-T801 VanDerWaalsContact O-N 3.13Å; I798-T801 PolarHBondContact O-OG1 3.32Å; L799-T801 PolarHBondContact O-N 2.77Å
802V85.5Confident79Confident56 Ų5670 Ų7034%0.33938%0.376SS..Hα-helixtrans-117.9-20.2-174.1-66.40000114.8L767 S773 L799L767-V802 HydrophobicContact CD1-CG2 4.24Å; L767-V802 HydrophobicContact CD2-CG2 4.07Å; S773-V802 VanDerWaalsContact OG-C 3.31Å; S773-V802 PolarHBondContact OG-O 3.23Å; L799-V802 HydrophobicContact CD2-CG2 4.37Å; L799-V802 VanDerWaalsContact O-CG2 3.3Å; L799-V802 WeakPolarHBondContact O-CG2 3.08Å; L799-V802 PolarHBondContact O-N 3.17Å
803T83.5Confident77.3Confident9 Ų970.7 Ų70.76%0.05538%0.381CS..  trans-81117.8173.8-64.10000109.8S773 T782 A784 L799 V806 W809S773-T803 PolarHBondContact O-OG1 2.8Å; T782-T803 HydrophobicContact CG2-CG2 4.35Å; A784-T803 HydrophobicContact CB-CG2 4.42Å; L799-T803 PolarHBondContact O-N 3.24Å; L799-T803 PolarHBondContact O-OG1 2.95Å; T803-V806 HydrophobicContact CG2-CG2 4.37Å; T803-W809 HydrophobicContact CG2-CH2 4.49Å
804T81.8Confident75.5Confident116 Ų11674.4 Ų74.471%0.71239%0.392SS*.  trans-101.9-8.8-17463.20000114.4N774 V806N774-T804 PolarHBondContact OD1-N 3.34Å; N774-T804 PolarHBondContact OD1-OG1 2.93Å; T804-V806 VanDerWaalsContact C-N 3.31Å; T804-V806 PolarHBondContact O-N 3.3Å
805T76.4Confident73.8Confident58 Ų5877.9 Ų77.936%0.35640%0.402SS..SBendtrans-84.48.3-173.654.70000115.5N774N774-T805 HydrophobicContact CB-CG2 3.78Å
806V68.6Low72.2Confident16 Ų1680.4 Ų80.410%0.09742%0.415CS..  trans-122.6121.8-176.8-178.40000108.9H785 T803 T804 W809H785-V806 VanDerWaalsContact NE2-CG2 3.31Å; H785-V806 WeakPolarHBondContact NE2-CG2 3.4Å; T803-V806 HydrophobicContact CG2-CG2 4.37Å; T804-V806 VanDerWaalsContact C-N 3.31Å; T804-V806 PolarHBondContact O-N 3.3Å; V806-W809 HydrophobicContact CB-CH2 4.03Å; V806-W809 HydrophobicContact CB-CZ2 3.94Å; V806-W809 HydrophobicContact CB-CZ3 4.36Å; V806-W809 HydrophobicContact CG1-CD2 3.91Å; V806-W809 HydrophobicContact CG1-CE3 3.91Å; V806-W809 HydrophobicContact CG1-CG 4.46Å; V806-W809 HydrophobicContact CG1-CH2 4.23Å; V806-W809 HydrophobicContact CG1-CZ2 4.24Å; V806-W809 HydrophobicContact CG1-CZ3 4.07Å; V806-W809 HydrophobicContact CG2-CH2 3.72Å; V806-W809 HydrophobicContact CG2-CZ2 4.1Å; V806-W809 HydrophobicContact CG2-CZ3 4.07Å
807V70.4Confident70Confident145 Ų14585 Ų8588%0.87944%0.441SS*.SBendtrans-83.1-40.8-175.1-179.30000111.8
808S70.9Confident67.9Low29 Ų2989.4 Ų89.420%0.20346%0.459CS..  trans-138.8125.81751780000110.5E810 E811S808-E810 PolarHBondContact O-N 3.02Å; S808-E810 PolarHBondContact OG-N 2.9Å; S808-E811 WeakPolarHBondContact CB-OE2 3.36Å; S808-E811 PolarHBondContact OG-N 3.46Å
809W71.4Confident65.8Low51 Ų5193.1 Ų93.119%0.19348%0.483CS..THydrogen-bonded Turntrans-74.8-0.7174.2-70.5108.3000113.4A784 H785 R788 F796 T803 V806A784-W809 HydrophobicContact CB-CH2 3.58Å; A784-W809 HydrophobicContact CB-CZ2 4.4Å; A784-W809 HydrophobicContact CB-CZ3 4.31Å; H785-W809 AromaticContact CD2-CZ3 3.82Å; R788-W809 VanDerWaalsContact CZ-O 3.28Å; R788-W809 PolarHBondContact NH1-O 2.91Å; R788-W809 PolarHBondContact NH2-O 3.17Å; F796-W809 HydrophobicContact CE2-CD2 4.2Å; F796-W809 AromaticContact CE2-CE3 3.75Å; F796-W809 HydrophobicContact CE2-CE3 3.75Å; F796-W809 HydrophobicContact CE2-CH2 4.06Å; F796-W809 HydrophobicContact CE2-CZ2 4.46Å; F796-W809 AromaticContact CE2-CZ3 3.68Å; F796-W809 HydrophobicContact CE2-CZ3 3.68Å; F796-W809 AromaticContact CZ-CD2 3.88Å; F796-W809 HydrophobicContact CZ-CD2 3.88Å; F796-W809 AromaticContact CZ-CE3 3.75Å; F796-W809 HydrophobicContact CZ-CE3 3.75Å; F796-W809 HydrophobicContact CZ-CG 4.36Å; F796-W809 HydrophobicContact CZ-CZ3 4.18Å; T803-W809 HydrophobicContact CG2-CH2 4.49Å; V806-W809 HydrophobicContact CB-CH2 4.03Å; V806-W809 HydrophobicContact CB-CZ2 3.94Å; V806-W809 HydrophobicContact CB-CZ3 4.36Å; V806-W809 HydrophobicContact CG1-CD2 3.91Å; V806-W809 HydrophobicContact CG1-CE3 3.91Å; V806-W809 HydrophobicContact CG1-CG 4.46Å; V806-W809 HydrophobicContact CG1-CH2 4.23Å; V806-W809 HydrophobicContact CG1-CZ2 4.24Å; V806-W809 HydrophobicContact CG1-CZ3 4.07Å; V806-W809 HydrophobicContact CG2-CH2 3.72Å; V806-W809 HydrophobicContact CG2-CZ2 4.1Å; V806-W809 HydrophobicContact CG2-CZ3 4.07Å
810E61.9Low63.6Low166 Ų16694.6 Ų94.678%0.77649%0.491SS*.THydrogen-bonded Turntrans-102.7-34.4176.1-64.7175.5176.200110.8S808S808-E810 PolarHBondContact O-N 3.02Å; S808-E810 PolarHBondContact OG-N 2.9Å
811E57.1Low61.5Low144 Ų14496 Ų9667%0.67350%0.501SS*.G310 helixtrans-79.6-42.3-174.4-63.2173.1155.300113.4S808 H813S808-E811 WeakPolarHBondContact CB-OE2 3.36Å; S808-E811 PolarHBondContact OG-N 3.46Å; E811-H813 PolarHBondContact O-N 3.12Å
812E58.8Low59.8Low62 Ų6291.4 Ų91.429%0.2947%0.471SS..G310 helixtrans-68.3-2.4177.3-69.7-164.4-174.900113.3R776 H785 L816R776-E812 IonicContact NH2-OE1 3.11Å; H785-E812 IonicContact CE1-OE2 3.72Å; H785-E812 PolarHBondContact CE1-OE2 3.5Å; H785-E812 IonicContact NE2-OE2 2.79Å; E812-L816 HydrophobicContact CB-CD1 4.38Å; E812-L816 WeakPolarHBondContact O-CD1 3.43Å
813H50.9Low57.9Low84 Ų8495.2 Ų95.239%0.38949%0.486SS..G310 helixtrans-80.9-25.6-175.3-145-92.9000114.7R788 E811R788-H813 PolarHBondContact NE-CD2 3.23Å; R788-H813 PolarHBondContact NE-NE2 3.44Å; R788-H813 PolarHBondContact NH2-CD2 3.21Å; R788-H813 PolarHBondContact NH2-NE2 3.28Å; E811-H813 PolarHBondContact O-N 3.12Å
814E48.6Very low56Low173 Ų17399.5 Ų99.581%0.80851%0.505SS*.THydrogen-bonded Turntrans-82.7-18.4-178.4-64.2-165.6147.800113.1
815E50.8Low54.5Low166 Ų16694.4 Ų94.478%0.77647%0.474SS*.THydrogen-bonded Turntrans-93.7-24.5-176.2-66.1-161.9143.200115
816L54Low52.9Low54 Ų5496.6 Ų96.628%0.28348%0.483SS..SBendtrans-95.7-10.8-171.1-80.698.2000116L781 E812 Q818 L820L781-L816 HydrophobicContact CD2-CD2 3.42Å; L781-L816 VanDerWaalsContact CD2-CD2 3.42Å; E812-L816 HydrophobicContact CB-CD1 4.38Å; E812-L816 WeakPolarHBondContact O-CD1 3.43Å; L816-Q818 PolarHBondContact O-N 3.15Å; L816-Q818 VanDerWaalsContact O-N 3.1Å; L816-L820 HydrophobicContact CD2-CD1 4.48Å
817D45.5Very low52.1Low120 Ų120102.1 Ų102.164%0.64251%0.506SS*.THydrogen-bonded Turntrans-75.3-0.6-168-127.46.6000114.9
818Q43Very low51.2Low175 Ų17595.4 Ų95.482%0.81847%0.465SS*.THydrogen-bonded Turntrans-111.92.2-166.6-59.9-172.116.600116.1L816L816-Q818 PolarHBondContact O-N 3.15Å; L816-Q818 VanDerWaalsContact O-N 3.1Å
819T44.2Very low50Low118 Ų11899.9 Ų99.972%0.72448%0.478SS*.SBendtrans-143.86.5-165.4-12.30000117.5
820L43.6Very low48.4Very low31 Ų31103 Ų10316%0.16249%0.494CS..  trans-11387.1-163.4-71169.2000115Q779 L781 K789 L816Q779-L820 HydrophobicContact CB-CD2 4.02Å; Q779-L820 HydrophobicContact CG-CD2 4.37Å; L781-L820 HydrophobicContact CD1-CD1 4.12Å; L781-L820 HydrophobicContact CD1-CD2 3.92Å; L781-L820 HydrophobicContact CD2-CD1 3.86Å; L781-L820 HydrophobicContact CD2-CD2 4.25Å; L781-L820 HydrophobicContact CG-CD2 4.22Å; K789-L820 HydrophobicContact CD-CB 4.13Å; K789-L820 HydrophobicContact CD-CD1 3.84Å; K789-L820 PolarHBondContact NZ-O 3.22Å; L816-L820 HydrophobicContact CD2-CD1 4.48Å
821M40.2Very low47.4Very low125 Ų125100.8 Ų100.862%0.61648%0.484SS*.  trans-73.8128.2153.8-77.5-169.564.700110Q779Q779-M821 PolarHBondContact NE2-O 3.01Å
822L49Very low46.3Very low21 Ų2195.4 Ų95.411%0.1146%0.461CS..  trans-102.5107.4166.5-73.2165.2000106.6F748 Q790F748-L822 HydrophobicContact CZ-CD2 4.5Å; Q790-L822 HydrophobicContact CG-CD1 4.34Å
823E44.5Very low45Very low137 Ų13796.5 Ų96.564%0.6447%0.465SS*.  trans-74.9142.1177.7-64.3180149.100110.2
824H45.3Very low44Very low98 Ų9897.9 Ų97.945%0.45448%0.48SS..  trans-72.5138.9167-103-64000109.2D826H824-D826 PolarHBondContact O-N 3.36Å
825P48.8Very low43.1Very low10 Ų1096.8 Ų96.87%0.06548%0.475CS..  trans-80.570.4175.233.2-34.3000110.6Y713 H721 F827 M828Y713-P825 HydrophobicContact CE1-CB 4.39Å; H721-P825 WeakPolarHBondContact NE2-CG 3.26Å; P825-F827 PolarHBondContact O-N 3.23Å; P825-M828 HydrophobicContact CB-CE 4.38Å; P825-M828 HydrophobicContact CG-CE 4.17Å; P825-M828 PolarHBondContact O-N 3.33Å
826D43.9Very low42.2Very low103 Ų10394.4 Ų94.455%0.55147%0.467SS*.G310 helixtrans-56.9-23.9-179.6-60.7-32.6000112.6H824 M828 R829H824-D826 PolarHBondContact O-N 3.36Å; D826-M828 PolarHBondContact O-N 2.86Å; D826-R829 PolarHBondContact O-N 3.48Å
827F51.5Low41Very low133 Ų13399.4 Ų99.458%0.58349%0.494SS*.G310 helixtrans-55.5-10.9169.5-54.2-73.4000115.5P825P825-F827 PolarHBondContact O-N 3.23Å
828M50.5Low40.2Very low4 Ų4102.1 Ų102.12%0.0250%0.503CS..G310 helixtrans-113.317.8172.9-56.6-162.4-62.100113Q688 Y713 T718 H721 F722 P825 D826Q688-M828 PolarHBondContact OE1-O 2.96Å; Y713-M828 HydrophobicContact CD1-CE 3.88Å; Y713-M828 HydrophobicContact CD1-SD 3.69Å; Y713-M828 HydrophobicContact CE1-CE 3.91Å; Y713-M828 HydrophobicContact CE1-SD 4.24Å; Y713-M828 HydrophobicContact CG-SD 4.1Å; T718-M828 HydrophobicContact CG2-SD 4.13Å; T718-M828 PolarHBondContact OG1-SD 2.68Å; H721-M828 HydrophobicContact CB-CE 3.73Å; F722-M828 HydrophobicContact CE2-CB 3.99Å; F722-M828 HydrophobicContact CE2-CE 4.01Å; F722-M828 HydrophobicContact CE2-SD 4.49Å; F722-M828 HydrophobicContact CZ-CB 4.18Å; F722-M828 WeakPolarHBondContact CZ-O 3.47Å; P825-M828 HydrophobicContact CB-CE 4.38Å; P825-M828 HydrophobicContact CG-CE 4.17Å; P825-M828 PolarHBondContact O-N 3.33Å; D826-M828 PolarHBondContact O-N 2.86Å
829R46Very low39.5Very low122 Ų122101.4 Ų101.446%0.4650%0.504SS..  trans-132.619.4179.7-73-176.6170.2169.6-5.8113.8D826 H831D826-R829 PolarHBondContact O-N 3.48Å; R829-H831 VanDerWaalsContact C-N 3.3Å; R829-H831 PolarHBondContact O-CD2 3.19Å; R829-H831 PolarHBondContact O-N 2.84Å
830E39.1Very low38.7Very low116 Ų11699.8 Ų99.854%0.54251%0.512SS..  trans-71.681.7177.6-68.5-176.3144.600111.2N678N678-E830 PolarHBondContact ND2-OE2 2.98Å
831H40Very low37.9Very low120 Ų120105 Ų10556%0.55654%0.544SS*.  trans-59.1134.2175.6-71.6-91.5000111.1R829 F833 T834R829-H831 VanDerWaalsContact C-N 3.3Å; R829-H831 PolarHBondContact O-CD2 3.19Å; R829-H831 PolarHBondContact O-N 2.84Å; H831-F833 PolarHBondContact O-N 2.85Å; H831-T834 PolarHBondContact O-OG1 3.5Å
832P34.7Very low37.2Very low31 Ų31103.2 Ų103.220%0.20155%0.55CS..THydrogen-bonded Turntrans-68.45.4-174.5-23.234.3000117.8Y610Y610-P832 WeakPolarHBondContact OH-CB 3.29Å
833F31.8Very low36.2Very low85 Ų85108.1 Ų108.137%0.37358%0.583SS.*THydrogen-bonded Turntrans-112.4-14.9-173.7-71.2-61.8000115.2H831 E835H831-F833 PolarHBondContact O-N 2.85Å; F833-E835 VanDerWaalsContact C-N 3.31Å; F833-E835 PolarHBondContact O-N 3.49Å
834T30Very low35.2Very low114 Ų114106.5 Ų106.570%0.69959%0.587SS**  trans-83.112-170.748.30000116H831H831-T834 PolarHBondContact O-OG1 3.5Å
835E29.7Very low34.4Very low149 Ų149106.9 Ų106.970%0.69660%0.598SS**  trans-97.665.5167.6-74.6-163.1171.500111.6R644 F833R644-E835 WeakPolarHBondContact CD-OE2 3.49Å; R644-E835 IonicContact NE-OE2 2.75Å; R644-E835 PolarHBondContact NE-OE2 3.44Å; F833-E835 VanDerWaalsContact C-N 3.31Å; F833-E835 PolarHBondContact O-N 3.49Å
836L30.2Very low33.2Very low117 Ų117111 Ų11161%0.61363%0.627SS**  trans-132.515175.5-81.2-178.8000116.4N575N575-L836 WeakPolarHBondContact ND2-CD2 3.28Å
837D30.2Very low32.3Very low158 Ų158113.5 Ų113.585%0.84564%0.638SS**  trans-100.1128.3171.4-80.3-41.6000113.8
838E27.9Very low30.9Very low178 Ų178112 Ų11283%0.83264%0.644SS**SBendtrans58.8127.5158.1-55.9-162.5137.600123
839D29Very low29.7Very low159 Ų159119.6 Ų119.685%0.8568%0.679SS**  trans67.598145.8-72.91.6000122.8
840G26.6Very low28.5Very low85 Ų85123.9 Ų123.988%0.87670%0.696SS**  trans-115.946.2167.500000115.2
841V28.2Very low27.8Very low140 Ų140125.3 Ų125.385%0.84871%0.706SS**  trans-122.7129.1171.3-176.50000111.8
842A25.4Very low27Very low88 Ų88124.5 Ų124.573%0.72771%0.714SS**  trans-53.5153.3-179.300000114
843P26.3Very low26.6Very low124 Ų124127.8 Ų127.881%0.80574%0.738SS**  cis-147.2166.144.941-20.7000120.4
844S24.1Very low26.2Very low103 Ų103128.5 Ų128.572%0.7275%0.753SS**  trans-70.3173.5164.958.20000114.4
845P28.9Very low26Very low106 Ų106128.6 Ų128.669%0.68875%0.749SS**  cis-137.9163.4-40.336.4-20.4000114
846S23.2Very low25.9Very low96 Ų96128.4 Ų128.467%0.67175%0.746SS**  trans66.4137.114771.60000121.9
847I24.4Very low25.7Very low155 Ų155131 Ų13180%0.79575%0.753SS**  trans81.5130.9147.8-67.3158.1000120.1
848S23.1Very low25.5Very low101 Ų101130.4 Ų130.471%0.70675%0.748SS**  trans94.2105.3151.468.80000122.6
849H24.8Very low25.5Very low164 Ų164130.5 Ų130.576%0.75975%0.746SS**  50102.2126-74.8-103.5000121.7
850R22Very low25.4Very low213 Ų213126.6 Ų126.680%0.80473%0.731SS**  46.5129.8106.9-144.1-162.3-66-146.21.1119
851L23.8Very low25.4Very low145 Ų145128.3 Ų128.376%0.75972%0.72SS**  trans104.1104.5156.4-62.1166.1000119.1
852S23.7Very low25.5Very low103 Ų103129 Ų12972%0.7271%0.714SS**  74.5159.9125.872.60000122.5
853S24.4Very low25.6Very low101 Ų101131.6 Ų131.671%0.70672%0.715SS**  trans69.6105.9157.152.80000120.4
854S25Very low25.7Very low99 Ų99132.4 Ų132.469%0.69271%0.713SS**  77.2121.9119.672.40000121.6
855D25.3Very low25.9Very low116 Ų116134.9 Ų134.962%0.6271%0.713SS**  88.3106.7121.3-80.1-15.8000122.5
856K26.8Very low25.9Very low145 Ų145139.7 Ų139.763%0.6372%0.719SS**  84.1105.1115.7-70.9168.9-175.2132.70120.3
857K27.1Very low26.1Very low173 Ų173144.8 Ų144.875%0.75273%0.725SS**  96.7161.1107.2-81.1-179.2175.1-171.90119.5
858I26.5Very low26.3Very low145 Ų145141.7 Ų141.774%0.74472%0.717SS**  trans87.8128.1159.3-66.1129.7000114.8
859K27.8Very low26.5Very low180 Ų180140.9 Ų140.978%0.78371%0.711SS**  cis-171.4165.3-13.5-101-165.8-175.6-176.70106.8
860S26Very low26.6Very low77 Ų77140.1 Ų140.154%0.53871%0.713SS.*  cis179173.8-25.159.40000109.5
861N26.8Very low27Very low120 Ų120135.9 Ų135.964%0.64271%0.71SS**  trans72.7144.5163.6-6034.3000115.6
862E30.7Very low27.1Very low154 Ų154134.5 Ų134.572%0.7271%0.708SS**  cis-141129.1-9.6-100.9138.6-146.300104.7
863D26.9Very low27.2Very low143 Ų143138.1 Ų138.177%0.76571%0.714SS**  53.9101.180.6-62.1-41.8000112.8
864D28.8Very low27.2Very low142 Ų142139.5 Ų139.576%0.75971%0.709SS**  -171158.297.1-131.4-29000116.7
865H29Very low27.2Very low154 Ų154141 Ų14171%0.71370%0.703SS**  trans76.5127.5154.5-78.226.7000123.7
866Y28.9Very low27.1Very low207 Ų207145.2 Ų145.281%0.81271%0.71SS**  trans58.887.2165.3-92.2-97.5000118.3
867Y27.1Very low27Very low203 Ų203145.7 Ų145.780%0.79671%0.714SS**  55.2112.478-85-114.9000113.9
868S27.6Very low26.8Very low90 Ų90144 Ų14463%0.62972%0.718SS**  91.514661.3-1660000110.4
869S27Very low26.8Very low84 Ų84140.2 Ų140.259%0.58772%0.715SS**  cis-153.3160.323.2-31.90000114.3
870D27Very low26.6Very low149 Ų149139.1 Ų139.180%0.79772%0.717SS**  trans63.7142.2140-53.4-23.9000120.8
871V30.4Very low26.4Very low123 Ų123144 Ų14475%0.74573%0.729SS**  cis-125.9133.63.4178.80000110.4
872T25.6Very low26.2Very low116 Ų116144.8 Ų144.871%0.71273%0.733SS**  trans-130110.915854.20000110.9
873E27Very low25.9Very low180 Ų180142.9 Ų142.984%0.84174%0.737SS**  trans-115.4106.6157.7-65.6-160.9130.900106.4
874Q23.9Very low25.7Very low129 Ų129139.3 Ų139.360%0.60373%0.727SS**  55.8131.464.1-55.2-167.955.400112.1
875K24.5Very low25.5Very low130 Ų130139 Ų13957%0.56572%0.72SS**  cis168.6130.1-2.1-109.1169.2-162.8156.90101.5
876R23.7Very low25.3Very low205 Ų205137.2 Ų137.277%0.77472%0.715SS**  trans66163.7157.7-51.1159-177.9176.8-4.5112.1
877H24.1Very low25Very low156 Ų156131.5 Ų131.572%0.72271%0.706SS**  cis-143.7152.625.7-84.5-96.4000112.1
878T24.3Very low24.8Very low137 Ų137127.2 Ų127.284%0.8470%0.701SS**  trans1119.3153.355.50000118.7
879G25.1Very low24.6Very low66 Ų66130 Ų13068%0.6871%0.707SS**  trans156.2109.4145.600000119.5
880L23.7Very low24.4Very low156 Ų156134.1 Ų134.182%0.81772%0.721SS**  trans55.6126.3143.3-71.883.5000121.7
881F22.4Very low24.2Very low179 Ų179131 Ų13179%0.78572%0.716SS**  trans37.5114.5132.3-69.7-86.5000118.3
882N22.8Very low23.9Very low137 Ų137134.1 Ų134.173%0.73372%0.723SS**  -179.415467.6-96.3-29.8000112.1
883S24.2Very low23.8Very low114 Ų114135.3 Ų135.380%0.79773%0.73SS**  trans59.4153.4153.759.10000120.9
884A23.2Very low23.8Very low68 Ų68135 Ų13556%0.56273%0.728SS**  cis177138-35.300000108
885F24Very low23.8Very low137 Ų137134.9 Ų134.960%0.60173%0.732SS**  trans63.8152.4166.3-88.3-122.6000115.1
886D24.4Very low23.8Very low116 Ų116133.4 Ų133.462%0.6273%0.73SS**  cis-162.1179.3-17.1-15136.9000106.9
887S23Very low23.9Very low87 Ų87128.4 Ų128.461%0.60872%0.719SS**  cis-148.9140.712.1-55.50000113
888T23.7Very low24.2Very low113 Ų113124.7 Ų124.769%0.69370%0.703SS**  trans43.8149.2136.966.50000124
889I22.1Very low24.3Very low149 Ų149122.9 Ų122.976%0.76468%0.681SS**  trans94.4113.1161.3-54.2-178.7000115.9
890L23Very low24.5Very low170 Ų170121.9 Ų121.989%0.8967%0.671SS**  trans62.287.5163.7-62.7167.6000118.2
891A22.9Very low24.7Very low83 Ų83119.2 Ų119.269%0.68666%0.655SS**  trans-151.5126.5153.200000106.2
892E24.6Very low24.9Very low189 Ų189115.3 Ų115.388%0.88364%0.64SS**  66.581.269.8-65.3177.3179.600112.2
893T24.3Very low25.1Very low141 Ų141111.3 Ų111.387%0.86562%0.617SS**  trans-122.895.7159.453.50000108.7
894E25.1Very low25.4Very low172 Ų172113.4 Ų113.480%0.80461%0.608SS**  trans-62.8168.5169.7-55.9171123.500110.8
895N24Very low25.4Very low127 Ų127117.4 Ų117.468%0.67962%0.617SS**  trans81.494.8-178-45.5-77.8000116.1I898N895-I898 HydrophobicContact CB-CD1 4.3Å
896D24.5Very low25.5Very low99 Ų99118.8 Ų118.853%0.52963%0.625SS.*SBend-162.7-21.1128.4-118.2-12.1000113.8I898D896-I898 PolarHBondContact O-N 3.29Å
897D27.6Very low25.6Very low100 Ų100118.4 Ų118.454%0.53563%0.632SS.*  trans-80.823-175.3-152.520.2000115.6W899 Q901D897-W899 PolarHBondContact O-N 2.85Å; D897-W899 VanDerWaalsContact O-N 3.15Å; D897-Q901 PolarHBondContact OD2-NE2 2.75Å
898I28.8Very low25.7Very low78 Ų78119.2 Ų119.240%0.463%0.633SS.*THydrogen-bonded Turntrans-68.6-16.1-166.9-73.2173000113.8N895 D896 M902N895-I898 HydrophobicContact CB-CD1 4.3Å; D896-I898 PolarHBondContact O-N 3.29Å; I898-M902 HydrophobicContact CG2-SD 3.87Å
899W27.9Very low25.7Very low99 Ų99121.7 Ų121.738%0.37564%0.641SS.*THydrogen-bonded Turntrans-90.5-22-174.7-77.284.5000115.3F543 D897F543-W899 HydrophobicContact CE2-CZ3 4.08Å; F543-W899 HydrophobicContact CZ-CH2 4.25Å; F543-W899 AromaticContact CZ-CZ3 3.66Å; F543-W899 HydrophobicContact CZ-CZ3 3.66Å; D897-W899 PolarHBondContact O-N 2.85Å; D897-W899 VanDerWaalsContact O-N 3.15Å
900G28.9Very low25.8Very low45 Ų45117.6 Ų117.646%0.46463%0.626SS.*THydrogen-bonded Turntrans-88.6-53.5178.100000113
901Q28.4Very low26Very low101 Ų101113.1 Ų113.147%0.47260%0.603SS.*G310 helixtrans-82.2-35.4-159.6-51.4-167.48.100114.3D897 E903 Y904D897-Q901 PolarHBondContact OD2-NE2 2.75Å; Q901-E903 PolarHBondContact O-N 2.93Å; Q901-Y904 PolarHBondContact O-N 3.48Å
902M25.5Very low26.2Very low97 Ų97113.7 Ų113.748%0.47859%0.591SS.*G310 helixtrans-60.9-17.2-177.1-69.9-171.476.500115.3I898 Y904I898-M902 HydrophobicContact CG2-SD 3.87Å; M902-Y904 VanDerWaalsContact C-N 3.32Å
903E27.9Very low26.3Very low53 Ų53111.4 Ų111.425%0.24859%0.585CS.*G310 helixtrans-88.44.5-176.2-125.7165.8-105.900113.9K551 R552 Q901K551-E903 WeakPolarHBondContact CE-OE2 3.32Å; K551-E903 IonicContact NZ-OE1 3.8Å; K551-E903 PolarHBondContact NZ-OE1 2.92Å; K551-E903 IonicContact NZ-OE2 3.6Å; K551-E903 PolarHBondContact NZ-OE2 3.06Å; R552-E903 IonicContact CZ-OE2 3.72Å; R552-E903 IonicContact NE-OE2 3.76Å; R552-E903 IonicContact NH2-OE2 2.76Å; R552-E903 PolarHBondContact NH2-OE2 3.14Å; Q901-E903 PolarHBondContact O-N 2.93Å
904Y28.8Very low26.3Very low158 Ų158110.2 Ų110.262%0.6258%0.578SS**THydrogen-bonded Turntrans-104.1-23.1173.8-108-87.5000114.6Q901 M902Q901-Y904 PolarHBondContact O-N 3.48Å; M902-Y904 VanDerWaalsContact C-N 3.32Å
905M24.7Very low26.3Very low152 Ų152108.3 Ų108.375%0.74957%0.573SS**G310 helixtrans-85.7-8-172.4-65.3171.971.800115.2
906H26.2Very low26.4Very low165 Ų165110 Ų11076%0.76458%0.577SS**G310 helixtrans-9711.8-167.5-94-69.2000116.3
907S26.4Very low26.4Very low109 Ų109109.5 Ų109.576%0.76257%0.57SS**G310 helixtrans-115.7-1.3179.651.70000115.5
908T24.5Very low26.3Very low104 Ų104111.5 Ų111.564%0.63858%0.579SS**SBendtrans-142.686.3-172.146.80000111.7
909L24.3Very low26.1Very low164 Ų164110.3 Ų110.386%0.85958%0.581SS**  trans-179.6168.3158.2-103162.5000110.2
910S24.4Very low25.8Very low63 Ų63111.6 Ų111.644%0.44160%0.6SS.*  trans64.7120.9-168.270.40000113.3R442R442-S910 VanDerWaalsContact CZ-O 3.22Å; R442-S910 PolarHBondContact NH1-O 2.79Å; R442-S910 PolarHBondContact NH2-O 3.15Å
911D25.9Very low25.8Very low77 Ų77117.1 Ų117.141%0.41261%0.614SS.*  cis-147.5171.67.1-55-64.3000104.6R442R442-D911 IonicContact CZ-OD2 3.86Å; R442-D911 IonicContact NE-OD2 2.59Å; R442-D911 PolarHBondContact NE-OD2 2.93Å; R442-D911 IonicContact NH2-OD2 2.7Å; R442-D911 PolarHBondContact NH2-OD2 2.92Å
912E27.9Very low25.7Very low95 Ų95118.1 Ų118.144%0.44463%0.627SS.*  cis-156.8122.119.8-136.2149.1-113.600104.1S409S409-E912 WeakPolarHBondContact CA-OE1 3.18Å; S409-E912 WeakPolarHBondContact CB-OE1 3.34Å; S409-E912 WeakPolarHBondContact CB-OE2 3.27Å; S409-E912 PolarHBondContact OG-OE2 3.04Å
913N26.4Very low25.7Very low141 Ų141119.1 Ų119.175%0.75464%0.643SS**  41.9131.890.4-67.2-19000113.6
914T25.1Very low25.6Very low116 Ų116121.5 Ų121.571%0.71267%0.666SS**  -164147.854.538.20000116.5
915N24.3Very low25.6Very low131 Ų131120.7 Ų120.770%0.70167%0.671SS**  trans80149.4135-65.211000125.5
916E26.6Very low25.9Very low163 Ų163120.8 Ų120.876%0.76267%0.674SS**  trans68.8104.5156.2-75171.1-159.300119.1
917F24.6Very low25.9Very low89 Ų89119.7 Ų119.739%0.3967%0.669SS.*  cis104.2154.16.8-144.5-97.1000117.8F942 G943 E944F917-F942 HydrophobicContact CE1-CB 4.44Å; F917-F942 VanDerWaalsContact CE2-O 3.23Å; F917-F942 WeakPolarHBondContact CE2-O 3.21Å; F917-F942 HydrophobicContact CZ-CB 3.96Å; F917-F942 WeakPolarHBondContact CZ-O 3.36Å; F917-G943 VanDerWaalsContact CE2-C 3.49Å; F917-E944 HydrophobicContact CD2-CB 4.29Å; F917-E944 HydrophobicContact CE1-CB 4.08Å; F917-E944 HydrophobicContact CE1-CG 3.92Å; F917-E944 HydrophobicContact CE2-CB 3.54Å; F917-E944 HydrophobicContact CE2-CG 4.19Å; F917-E944 HydrophobicContact CZ-CB 3.39Å; F917-E944 HydrophobicContact CZ-CG 3.5Å; F917-E944 VanDerWaalsContact CZ-CG 3.5Å; F917-E944 VanDerWaalsContact CZ-N 3.27Å
918I24.3Very low25.8Very low141 Ų141120.5 Ų120.572%0.72367%0.67SS**  trans91102.7176-50.6-177.5000117.3E944I918-E944 WeakPolarHBondContact CA-OE2 3.48Å
919A24.8Very low26.1Very low53 Ų53119.5 Ų119.544%0.43867%0.672SS.*  trans-10.2143.9155.200000122.5E944A919-E944 PolarHBondContact N-OE2 2.91Å
920T22.8Very low26.1Very low126 Ų126117.4 Ų117.477%0.77367%0.671SS**  174.3141.6129.130.10000109.6
921Q27.5Very low26.6Very low161 Ų161119.4 Ų119.475%0.75268%0.682SS**  cis-139.4132.7-7.9-79.8136.242.200106
922T25.9Very low26.8Very low122 Ų122124.9 Ų124.975%0.74870%0.703SS**  59134.666.563.30000117.1
923S26.1Very low26.7Very low118 Ų118124.9 Ų124.983%0.82571%0.713SS**  trans83.4146.1176.9-34.80000114.8
924S27Very low26.8Very low104 Ų104124.7 Ų124.773%0.72772%0.716SS**  cis-157.4157.111.893.20000110
925I28.8Very low26.9Very low141 Ų141126.8 Ų126.872%0.72372%0.718SS**  cis-163.4136.4-4-117.9163000104.5
926L29.9Very low26.9Very low153 Ų153126 Ų12680%0.80171%0.713SS**  cis86108.734.4-177139.3000114.7
927E25.5Very low26.9Very low142 Ų142123.7 Ų123.766%0.66471%0.711SS**  trans-178.3138.9166-103.3176.3-179.500107H1884E927-H1884 IonicContact OE2-CD2 2.73Å; E927-H1884 PolarHBondContact OE2-CD2 2.97Å; E927-H1884 IonicContact OE2-CE1 3.56Å; E927-H1884 IonicContact OE2-NE2 3.37Å; E927-H1884 PolarHBondContact OE2-NE2 3.11Å
928T26Very low26.9Very low127 Ų127126.6 Ų126.678%0.77973%0.726SS**  cis-148.3167.2-7.548.10000109.8
929A29.7Very low27Very low82 Ų82125.4 Ų125.468%0.67873%0.725SS**  cis-169.7144.3-37.400000112.3
930S25.3Very low27Very low120 Ų120130.7 Ų130.784%0.83974%0.74SS**  trans91.6152.1141.783.30000121.9
931P35.2Very low27.1Very low105 Ų105131.4 Ų131.468%0.68274%0.737SS**  trans-138.2-163.6-150.344.6-25000114.7
932K28.5Very low27Very low193 Ų193132.4 Ų132.484%0.83974%0.739SS**  trans152.8153150.7-84.8149.3-157.6164.10110.1
933S26.7Very low26.9Very low95 Ų95129.5 Ų129.566%0.66473%0.733SS**  cis-178.3172.9-13.351.40000109.7
934V28.3Very low26.9Very low136 Ų136128.5 Ų128.582%0.82472%0.716SS**  trans77.2138.3168.9-177.90000114.8
935H27.2Very low26.8Very low160 Ų160129.4 Ų129.474%0.74172%0.722SS**  cis-166.4154.2-35.4-137.818.7000108.4
936N25.2Very low26.7Very low114 Ų114126.6 Ų126.661%0.6173%0.727SS**  trans14.4137.2157.8-53.911.3000119.2
937T25.8Very low26.5Very low115 Ų115126.9 Ų126.971%0.70672%0.724SS**  -161.1122.470.8-62.40000112.5
938E25.3Very low26.7Very low150 Ų150125.1 Ų125.170%0.70173%0.726SS**  trans35.4136.5138.6-58.7152.9-15200119.7
939V26.2Very low26.6Very low117 Ų117126.5 Ų126.571%0.70973%0.728SS**  cis-139.5122.331.9173.90000112.3
940Q24.9Very low26.4Very low163 Ų163125.7 Ų125.776%0.76273%0.728SS**  trans27.9132.3133.2-54.6163.3-14.700118.8
941M24.7Very low26.5Very low141 Ų141125.3 Ų125.370%0.69572%0.716SS**  cis-140.2163.816.3-62.9177.667.100113
942F24.3Very low26.1Very low183 Ų183129.7 Ų129.780%0.80372%0.719SS**  trans-91.3178.7-178.5-75.7-105000111.7F917F917-F942 HydrophobicContact CE1-CB 4.44Å; F917-F942 VanDerWaalsContact CE2-O 3.23Å; F917-F942 WeakPolarHBondContact CE2-O 3.21Å; F917-F942 HydrophobicContact CZ-CB 3.96Å; F917-F942 WeakPolarHBondContact CZ-O 3.36Å
943G25.4Very low26Very low61 Ų61126.4 Ų126.463%0.62971%0.711SS**  cis108.556.110.500000119F917F917-G943 VanDerWaalsContact CE2-C 3.49Å
944E25.5Very low26Very low97 Ų97130.4 Ų130.445%0.45372%0.724SS.*  trans-153.7109.2180-78.7-169.5157.400113.2F917 I918 A919F917-E944 HydrophobicContact CD2-CB 4.29Å; F917-E944 HydrophobicContact CE1-CB 4.08Å; F917-E944 HydrophobicContact CE1-CG 3.92Å; F917-E944 HydrophobicContact CE2-CB 3.54Å; F917-E944 HydrophobicContact CE2-CG 4.19Å; F917-E944 HydrophobicContact CZ-CB 3.39Å; F917-E944 HydrophobicContact CZ-CG 3.5Å; F917-E944 VanDerWaalsContact CZ-CG 3.5Å; F917-E944 VanDerWaalsContact CZ-N 3.27Å; I918-E944 WeakPolarHBondContact CA-OE2 3.48Å; A919-E944 PolarHBondContact N-OE2 2.91Å
945S24.5Very low25.9Very low123 Ų123131.6 Ų131.686%0.8672%0.72SS**  trans19.8137.6140.558.70000124.4
946G26.5Very low25.9Very low81 Ų81128.4 Ų128.484%0.83572%0.722SS**  trans168.560.4156.900000118.7
947Q26.3Very low25.9Very low159 Ų159130.6 Ų130.674%0.74373%0.734SS**  trans-72.8161.8171.3-117.5-179.3-18.900111.6
948P28.3Very low25.9Very low106 Ų106131.9 Ų131.969%0.68874%0.736SS**  -143.5178.754.242.8-24.4000118.3
949D25.3Very low25.9Very low155 Ų155132.5 Ų132.583%0.82974%0.741SS**SBendtrans63.2101.9157.6-60.8-13.1000120.3
950G26Very low26Very low65 Ų65131 Ų13167%0.6774%0.741SS**  trans172.87.7165.600000117W952G950-W952 PolarHBondContact O-N 2.81Å
951D26.3Very low26.2Very low112 Ų112130.4 Ų130.460%0.59975%0.748SS**  trans-67.4121.1-164.5-60.6-46.9000114
952W26.2Very low26.5Very low198 Ų198131.5 Ų131.575%0.7576%0.755SS**  trans-113.984.8154.3-7899.8000107G950 L954G950-W952 PolarHBondContact O-N 2.81Å; W952-L954 PolarHBondContact O-N 2.83Å
953D26.7Very low26.6Very low124 Ų124132 Ų13266%0.66376%0.757SS**  trans-56.7122.2177.6-72.7-50.4000110.5E955D953-E955 VanDerWaalsContact C-N 3.26Å; D953-E955 HydrophobicContact CB-CG 4.44Å
954L26.7Very low26.6Very low179 Ų179137.6 Ų137.694%0.93776%0.764SS**  trans-97.630.9173-80.6164.7000110.9W952W952-L954 PolarHBondContact O-N 2.83Å
955E27Very low26.6Very low160 Ų160137.2 Ų137.275%0.74877%0.77SS**  trans-68.9155.1169.7-61.5-157.7139.500111D953 D957D953-E955 VanDerWaalsContact C-N 3.26Å; D953-E955 HydrophobicContact CB-CG 4.44Å; E955-D957 PolarHBondContact O-N 2.81Å; E955-D957 VanDerWaalsContact O-N 3.1Å
956A25.8Very low26.8Very low94 Ų94138.2 Ų138.278%0.77776%0.764SS**  trans-84.485.1-178.500000110.1N958A956-N958 PolarHBondContact O-N 2.82Å
957D25.8Very low26.8Very low159 Ų159140.1 Ų140.185%0.8576%0.764SS**  trans-51.992.4177.6-103.2-24000112.4E955E955-D957 PolarHBondContact O-N 2.81Å; E955-D957 VanDerWaalsContact O-N 3.1Å
958N26.9Very low27.2Very low142 Ų142137 Ų13776%0.75976%0.757SS**  trans-164.252.5176-104.20.2000109.4A956A956-N958 PolarHBondContact O-N 2.82Å
959M25.3Very low28.1Very low164 Ų164134.6 Ų134.681%0.80875%0.751SS**  trans168.4127.1153.3-99.3-167.6-59.500112.8
960A26.8Very low29.4Very low85 Ų85131.4 Ų131.470%0.70273%0.73SS**  trans165.5105.7138.500000111.2I962A960-I962 PolarHBondContact O-N 2.99Å
961V29.7Very low31.1Very low151 Ų151129.3 Ų129.392%0.91570%0.703SS**THydrogen-bonded Turntrans-72.510.2-165.8-172.50000115
962I30.4Very low33.2Very low164 Ų164124.1 Ų124.184%0.84168%0.675SS**THydrogen-bonded Turntrans-131.823.5-164.6-29.9179.2000114.6A960A960-I962 PolarHBondContact O-N 2.99Å
963K26.9Very low35.5Very low194 Ų194116.6 Ų116.684%0.84365%0.653SS**SBendtrans-124.8139.5166.4-78.8-179.5178.9172.90110.6
964K25.5Very low37.5Very low178 Ų178114.7 Ų114.777%0.77464%0.639SS**PPolyproline II helixtrans-70.8140.3180-66.7-179.9-179.8176.60111I966K964-I966 PolarHBondContact O-N 2.71Å
965P26.8Very low39.8Very low88 Ų88110.3 Ų110.357%0.57162%0.615SS**PPolyproline II helixtrans-70.2124177.728.5-34.2000111.4
966I28.1Very low41.8Very low144 Ų144103 Ų10374%0.73858%0.583SS**PPolyproline II helixtrans-78.6141.2163.3-58.7175.8000107.5K964 T968K964-I966 PolarHBondContact O-N 2.71Å; I966-T968 WeakPolarHBondContact O-CG2 3.36Å; I966-T968 PolarHBondContact O-N 3.46Å
967S26.6Very low44.2Very low121 Ų121100.7 Ų100.785%0.84656%0.557SS**  trans-7679-169.949.20000114.1G969S967-G969 VanDerWaalsContact C-N 3.33Å; S967-G969 PolarHBondContact O-N 2.99Å
968T33.8Very low46.4Very low94 Ų9494.6 Ų94.658%0.57753%0.529SS*.  trans-83.830.8-163.247.40000117.7I966 F970I966-T968 WeakPolarHBondContact O-CG2 3.36Å; I966-T968 PolarHBondContact O-N 3.46Å; T968-F970 WeakPolarHBondContact O-CD1 3.42Å; T968-F970 PolarHBondContact O-N 2.95Å
969G48Very low48.4Very low55 Ų5595.3 Ų95.357%0.56752%0.521SS*.  trans56.77.714000000123.1S967S967-G969 VanDerWaalsContact C-N 3.33Å; S967-G969 PolarHBondContact O-N 2.99Å
970F51.7Low50.5Low89 Ų8988.3 Ų88.339%0.3949%0.49SS..  trans-82.7147.3-177.962.1-95.7000114.4T968 R987 V1007 R1009T968-F970 WeakPolarHBondContact O-CD1 3.42Å; T968-F970 PolarHBondContact O-N 2.95Å; F970-R987 WeakPolarHBondContact O-CD 3.42Å; F970-R987 PolarHBondContact O-NE 2.85Å; F970-V1007 HydrophobicContact CB-CG1 4.26Å; F970-R1009 HydrophobicContact CB-CG 4.16Å
971L63.1Low52.6Low21 Ų2185.5 Ų85.511%0.1147%0.47CS..SBendtrans-90.9-43176.6-162.182.8000111.4R987 Y988 L991 C1008 L1010L971-R987 HydrophobicContact CD1-CB 4.1Å; L971-R987 HydrophobicContact CG-CB 4.4Å; L971-Y988 HydrophobicContact CD1-CD2 3.94Å; L971-Y988 HydrophobicContact CD1-CG 4.2Å; L971-Y988 HydrophobicContact CD2-CG 4.33Å; L971-L991 HydrophobicContact CD2-CD1 3.92Å; L971-L991 HydrophobicContact CD2-CD2 4.34Å; L971-C1008 WeakPolarHBondContact CA-O 3.48Å; L971-C1008 VanDerWaalsContact CB-O 3.26Å; L971-C1008 WeakPolarHBondContact CB-O 3.12Å; L971-C1008 PolarHBondContact N-O 3.28Å; L971-L1010 HydrophobicContact CD1-CD1 3.7Å; L971-L1010 HydrophobicContact CD1-CG 3.93Å; L971-L1010 HydrophobicContact CD2-CD1 4.09Å; L971-L1010 HydrophobicContact CD2-CG 3.93Å; L971-L1010 HydrophobicContact CG-CG 4.43Å
972V69.5Low54.9Low2 Ų281.7 Ų81.71%0.01244%0.444CS..EExtended strand (participates in β ladder)trans-145.4131.5-169.5171.10000106.8F974 I983 A985 L991 V1007 C1008V972-F974 HydrophobicContact CB-CD2 4.5Å; V972-F974 HydrophobicContact CB-CE2 4.5Å; V972-F974 HydrophobicContact CG1-CD2 3.54Å; V972-F974 HydrophobicContact CG1-CE2 3.87Å; V972-I983 HydrophobicContact CG1-CG2 3.78Å; V972-A985 HydrophobicContact CG2-CB 3.34Å; V972-L991 HydrophobicContact CG2-CD2 4.02Å; V972-V1007 CarbonylContact O-C 3.58Å; V972-V1007 WeakPolarHBondContact O-CA 3.42Å; V972-C1008 HydrophobicContact CB-CB 4.16Å; V972-C1008 PolarHBondContact N-O 2.82Å; V972-C1008 VanDerWaalsContact N-O 3.08Å; V972-C1008 PolarHBondContact O-N 2.98Å
973S73.9Confident57Low40 Ų4074.6 Ų74.628%0.2841%0.408SS..EExtended strand (participates in β ladder)trans-149.3103.2172.2-176.50000108I1006S973-I1006 WeakPolarHBondContact CA-O 3.38Å
974F68.7Low59.1Low85 Ų8570.3 Ų70.337%0.37339%0.391SS..EExtended strand (participates in β ladder)trans-139.5144.7-174.3-68.6-100.2000110.6V972 I983 R1005 I1006V972-F974 HydrophobicContact CB-CD2 4.5Å; V972-F974 HydrophobicContact CB-CE2 4.5Å; V972-F974 HydrophobicContact CG1-CD2 3.54Å; V972-F974 HydrophobicContact CG1-CE2 3.87Å; F974-I983 HydrophobicContact CB-CD1 4.09Å; F974-I983 HydrophobicContact CB-CG1 4.2Å; F974-I983 HydrophobicContact CB-CG2 4.05Å; F974-I983 HydrophobicContact CD1-CG2 4.37Å; F974-I983 HydrophobicContact CD2-CG2 3.41Å; F974-I983 VanDerWaalsContact CD2-CG2 3.41Å; F974-I983 HydrophobicContact CE2-CG2 3.83Å; F974-I983 HydrophobicContact CG-CG2 3.71Å; F974-I983 HydrophobicContact CZ-CG2 4.47Å; F974-R1005 CarbonylContact O-C 3.38Å; F974-R1005 WeakPolarHBondContact O-CA 3.43Å; F974-I1006 PolarHBondContact N-O 3.19Å; F974-I1006 PolarHBondContact O-N 3.48Å
975I74.6Confident61Low86 Ų8662.3 Ų62.344%0.44136%0.358SS..EExtended strand (participates in β ladder)trans-91105.1173.4-55.4178.6000108P1003 L1004 R1005I975-P1003 HydrophobicContact CG2-CB 3.85Å; I975-L1004 CarbonylContact C-O 3.59Å; I975-L1004 WeakPolarHBondContact CA-O 3.41Å; I975-R1005 HydrophobicContact CG1-CB 4.08Å; I975-R1005 HydrophobicContact CG1-CG 4.36Å
976A70.8Confident62.7Low8 Ų868.8 Ų68.87%0.06637%0.371CS..EExtended strand (participates in β ladder)trans-82.2127.9168.500000109I983 I995 I1000 P1003 L1004A976-I983 HydrophobicContact CB-CD1 4.38Å; A976-I995 HydrophobicContact CB-CD1 3.38Å; A976-I1000 HydrophobicContact CB-CD1 3.72Å; A976-P1003 CarbonylContact O-C 3.55Å; A976-P1003 WeakPolarHBondContact O-CA 3.49Å; A976-L1004 PolarHBondContact N-O 3.03Å; A976-L1004 PolarHBondContact O-N 2.92Å
977D74.9Confident64.2Low45 Ų4569.2 Ų69.224%0.24136%0.363CS..  trans-97.3175.3173.976.667.5000112.7R979 G980D977-R979 PolarHBondContact O-N 3.38Å; D977-R979 WeakPolarHBondContact OD1-CB 3.36Å; D977-R979 WeakPolarHBondContact OD1-CG 3.18Å; D977-R979 IonicContact OD1-CZ 2.8Å; D977-R979 PolarHBondContact OD1-N 3.08Å; D977-R979 IonicContact OD1-NE 3.27Å; D977-R979 PolarHBondContact OD1-NE 2.75Å; D977-R979 IonicContact OD1-NH2 3.12Å; D977-R979 IonicContact OD2-CZ 2.71Å; D977-R979 IonicContact OD2-NE 2.74Å; D977-R979 PolarHBondContact OD2-NE 3.11Å; D977-R979 IonicContact OD2-NH2 2.65Å; D977-R979 PolarHBondContact OD2-NH2 2.87Å; D977-G980 PolarHBondContact O-N 3.05Å
978A73.3Confident66Low30 Ų3063.9 Ų63.925%0.24833%0.325CS..THydrogen-bonded Turntrans-60.2-17-175.700000114G980 N998 I1000A978-G980 PolarHBondContact O-N 2.87Å; A978-N998 WeakPolarHBondContact O-CA 3.42Å; A978-N998 PolarHBondContact O-N 3.28Å; A978-I1000 WeakPolarHBondContact CA-O 3.2Å; A978-I1000 VanDerWaalsContact CB-O 3.24Å; A978-I1000 WeakPolarHBondContact CB-O 3.43Å
979R69.2Low67.6Low158 Ų15862.8 Ų62.860%0.59632%0.319SS*.THydrogen-bonded Turntrans-74.8-4173.2-57.4172-65.9177.64.3113.2D977 P997D977-R979 PolarHBondContact O-N 3.38Å; D977-R979 WeakPolarHBondContact OD1-CB 3.36Å; D977-R979 WeakPolarHBondContact OD1-CG 3.18Å; D977-R979 IonicContact OD1-CZ 2.8Å; D977-R979 PolarHBondContact OD1-N 3.08Å; D977-R979 IonicContact OD1-NE 3.27Å; D977-R979 PolarHBondContact OD1-NE 2.75Å; D977-R979 IonicContact OD1-NH2 3.12Å; D977-R979 IonicContact OD2-CZ 2.71Å; D977-R979 IonicContact OD2-NE 2.74Å; D977-R979 PolarHBondContact OD2-NE 3.11Å; D977-R979 IonicContact OD2-NH2 2.65Å; D977-R979 PolarHBondContact OD2-NH2 2.87Å; R979-P997 WeakPolarHBondContact O-CA 3.28Å; R979-P997 WeakPolarHBondContact O-CB 3.28Å; R979-P997 WeakPolarHBondContact O-CG 3.36Å
980G69.1Low68.8Low16 Ų1663.8 Ų63.817%0.16531%0.311CS..  trans71.5-167.6-173.800000112.4D977 A978 I995D977-G980 PolarHBondContact O-N 3.05Å; A978-G980 PolarHBondContact O-N 2.87Å; G980-I995 CarbonylContact C-O 3.57Å; G980-I995 WeakPolarHBondContact CA-O 3.46Å
981G71Confident70.2Confident27 Ų2759.9 Ų59.928%0.27829%0.294SS..EExtended strand (participates in β ladder)trans162.117017800000113.8I995G981-I995 PolarHBondContact N-O 2.84Å; G981-I995 PolarHBondContact O-N 3.36Å
982L76.4Confident71.2Confident70 Ų7060.8 Ų60.837%0.36630%0.297SS..EExtended strand (participates in β ladder)trans-105.4100.7173.3175.852.2000109Q984 R992 F994 F1094L982-Q984 HydrophobicContact CD1-CG 4.32Å; L982-Q984 HydrophobicContact CG-CG 4.07Å; L982-R992 HydrophobicContact CD1-CB 3.93Å; L982-F994 HydrophobicContact CD1-CD1 3.75Å; L982-F994 HydrophobicContact CD1-CD2 3.75Å; L982-F994 HydrophobicContact CD1-CE1 3.68Å; L982-F994 HydrophobicContact CD1-CE2 3.65Å; L982-F994 HydrophobicContact CD1-CG 3.78Å; L982-F994 HydrophobicContact CD1-CZ 3.63Å; L982-F994 HydrophobicContact CD2-CD1 4.48Å; L982-F994 HydrophobicContact CD2-CE1 3.92Å; L982-F994 HydrophobicContact CD2-CZ 4.2Å; L982-F994 HydrophobicContact CG-CE1 4.36Å; L982-F1094 HydrophobicContact CB-CD1 4.27Å; L982-F1094 HydrophobicContact CB-CE1 3.88Å
983I74.3Confident72.1Confident15 Ų1560.9 Ų60.98%0.07730%0.297CS..EExtended strand (participates in β ladder)trans-80.2131.9171.5-57.1168.3000107.7V972 F974 A976 R992 I993 I995V972-I983 HydrophobicContact CG1-CG2 3.78Å; F974-I983 HydrophobicContact CB-CD1 4.09Å; F974-I983 HydrophobicContact CB-CG1 4.2Å; F974-I983 HydrophobicContact CB-CG2 4.05Å; F974-I983 HydrophobicContact CD1-CG2 4.37Å; F974-I983 HydrophobicContact CD2-CG2 3.41Å; F974-I983 VanDerWaalsContact CD2-CG2 3.41Å; F974-I983 HydrophobicContact CE2-CG2 3.83Å; F974-I983 HydrophobicContact CG-CG2 3.71Å; F974-I983 HydrophobicContact CZ-CG2 4.47Å; A976-I983 HydrophobicContact CB-CD1 4.38Å; I983-R992 CarbonylContact O-C 3.47Å; I983-R992 VanDerWaalsContact O-CA 3.24Å; I983-R992 WeakPolarHBondContact O-CA 3.46Å; I983-I993 HydrophobicContact CB-CB 4.2Å; I983-I993 HydrophobicContact CD1-CB 4.46Å; I983-I993 PolarHBondContact N-O 3.05Å; I983-I993 PolarHBondContact O-N 2.89Å; I983-I995 HydrophobicContact CD1-CD1 3.76Å; I983-I995 HydrophobicContact CG1-CD1 4.49Å
984Q71.5Confident72.7Confident104 Ų10459.1 Ų59.149%0.48628%0.284SS..EExtended strand (participates in β ladder)trans-124.1136.9172.1-58.8-170.8-5.700110.3L982 R986 R992L982-Q984 HydrophobicContact CD1-CG 4.32Å; L982-Q984 HydrophobicContact CG-CG 4.07Å; Q984-R986 PolarHBondContact O-N 3.06Å; Q984-R992 HydrophobicContact CG-CG 4.07Å
985A65.2Low73.6Confident10 Ų1055 Ų558%0.08327%0.266CS..  trans-78.4119.8-18000000111.5V972 Y988 L991V972-A985 HydrophobicContact CG2-CB 3.34Å; A985-Y988 WeakPolarHBondContact CB-O 3.33Å; A985-Y988 CarbonylContact O-C 3.46Å; A985-L991 HydrophobicContact CB-CB 3.98Å; A985-L991 HydrophobicContact CB-CD2 3.92Å; A985-L991 PolarHBondContact N-O 3.44Å
986R62.4Low74Confident224 Ų22451.1 Ų51.185%0.84525%0.247SC*.SBendtrans-74.3-31.5171.7-71-173.5174-172-2.4112.8Q984 Y988 K1331Q984-R986 PolarHBondContact O-N 3.06Å; R986-Y988 VanDerWaalsContact C-N 3.31Å; R986-K1331 PolarHBondContact O-NZ 3.05Å
987R60.2Low74.4Confident154 Ų15452.6 Ų52.658%0.58126%0.255SS*.SBendtrans-69.5-29.5175.7-73.5-176.2177.7-117.20.2112.2F970 L971 K1331F970-R987 WeakPolarHBondContact O-CD 3.42Å; F970-R987 PolarHBondContact O-NE 2.85Å; L971-R987 HydrophobicContact CD1-CB 4.1Å; L971-R987 HydrophobicContact CG-CB 4.4Å; R987-K1331 PolarHBondContact O-NZ 3.03Å
988Y64.2Low74.4Confident9 Ų956.6 Ų56.64%0.03528%0.277CS..SBendtrans-133.3109.4-172.1-135.9-106.7000110.8L971 A985 R986 L991 L1010 P1051 Y1053 D1326L971-Y988 HydrophobicContact CD1-CD2 3.94Å; L971-Y988 HydrophobicContact CD1-CG 4.2Å; L971-Y988 HydrophobicContact CD2-CG 4.33Å; A985-Y988 WeakPolarHBondContact CB-O 3.33Å; A985-Y988 CarbonylContact O-C 3.46Å; R986-Y988 VanDerWaalsContact C-N 3.31Å; Y988-L991 HydrophobicContact CD1-CB 4.42Å; Y988-L1010 HydrophobicContact CD1-CD1 4.46Å; Y988-L1010 HydrophobicContact CD2-CD1 3.85Å; Y988-L1010 HydrophobicContact CE1-CD1 4.21Å; Y988-L1010 HydrophobicContact CE2-CD1 3.6Å; Y988-L1010 HydrophobicContact CG-CD1 4.27Å; Y988-P1051 HydrophobicContact CD1-CG 3.66Å; Y988-P1051 HydrophobicContact CE1-CG 3.72Å; Y988-Y1053 AromaticContact CE1-CE2 3.99Å; Y988-Y1053 HydrophobicContact CE1-CE2 3.99Å; Y988-Y1053 WeakPolarHBondContact CE1-OH 3.48Å; Y988-Y1053 VanDerWaalsContact OH-CE2 3.25Å; Y988-Y1053 WeakPolarHBondContact OH-CE2 3.42Å; Y988-Y1053 PolarHBondContact OH-OH 3.13Å; Y988-D1326 WeakPolarHBondContact OH-CB 3.24Å; Y988-D1326 PolarHBondContact OH-O 3.08Å
989P66.8Low74.8Confident71 Ų7155.5 Ų55.546%0.46127%0.267SS..THydrogen-bonded Turntrans-58.5149.6-179.426.8-34.1000111L991P989-L991 PolarHBondContact O-N 3.25Å
990D73.3Confident75.2Confident76 Ų7648.7 Ų48.741%0.40624%0.242SC..THydrogen-bonded Turntrans58.12.7177.9-66.8-58.7000117.9R992 I1108D990-R992 PolarHBondContact O-N 2.91Å; D990-I1108 HydrophobicContact CB-CD1 3.73Å; D990-I1108 HydrophobicContact CB-CG1 4.15Å
991L82.5Confident75.4Confident6 Ų652.1 Ų52.13%0.03126%0.257CS..  trans-79.6117.5166.3-170.6145000110.1L971 V972 A985 Y988 P989 L1033 E1049 I1050 P1051L971-L991 HydrophobicContact CD2-CD1 3.92Å; L971-L991 HydrophobicContact CD2-CD2 4.34Å; V972-L991 HydrophobicContact CG2-CD2 4.02Å; A985-L991 HydrophobicContact CB-CB 3.98Å; A985-L991 HydrophobicContact CB-CD2 3.92Å; A985-L991 PolarHBondContact N-O 3.44Å; Y988-L991 HydrophobicContact CD1-CB 4.42Å; P989-L991 PolarHBondContact O-N 3.25Å; L991-L1033 HydrophobicContact CD1-CD2 4.02Å; L991-E1049 CarbonylContact C-O 3.58Å; L991-E1049 WeakPolarHBondContact CA-O 3.42Å; L991-I1050 HydrophobicContact CD1-CG1 4.13Å; L991-I1050 HydrophobicContact CG-CG1 4.38Å; L991-P1051 HydrophobicContact CB-CG 4.31Å
992R84.4Confident75.5Confident41 Ų4151.9 Ų51.916%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-134.4146.4-172.1-48.8-168.2-72.5-160.14111.7L982 I983 Q984 D990 F994 E1049L982-R992 HydrophobicContact CD1-CB 3.93Å; I983-R992 CarbonylContact O-C 3.47Å; I983-R992 VanDerWaalsContact O-CA 3.24Å; I983-R992 WeakPolarHBondContact O-CA 3.46Å; Q984-R992 HydrophobicContact CG-CG 4.07Å; D990-R992 PolarHBondContact O-N 2.91Å; R992-F994 HydrophobicContact CB-CD2 4.37Å; R992-F994 HydrophobicContact CB-CE2 3.85Å; R992-E1049 HydrophobicContact CB-CB 4.19Å; R992-E1049 IonicContact CZ-OE2 2.73Å; R992-E1049 VanDerWaalsContact CZ-OE2 3.22Å; R992-E1049 PolarHBondContact N-O 2.62Å; R992-E1049 IonicContact NE-OE2 3.78Å; R992-E1049 PolarHBondContact NE-OE2 2.89Å; R992-E1049 IonicContact NH2-OE2 3.88Å; R992-E1049 PolarHBondContact NH2-OE2 2.93Å; R992-E1049 PolarHBondContact O-N 3.26Å; R992-E1049 VanDerWaalsContact O-O 3.14Å
993I87.2Confident75.4Confident4 Ų452.7 Ų52.72%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-127.3112.1172.1-48.2178.5000108I983 I995 I1006 I1046 L1048I983-I993 HydrophobicContact CB-CB 4.2Å; I983-I993 HydrophobicContact CD1-CB 4.46Å; I983-I993 PolarHBondContact N-O 3.05Å; I983-I993 PolarHBondContact O-N 2.89Å; I993-I995 HydrophobicContact CG2-CD1 4.33Å; I993-I995 HydrophobicContact CG2-CG1 3.98Å; I993-I1006 HydrophobicContact CD1-CG2 4.33Å; I993-I1046 HydrophobicContact CG2-CD1 3.99Å; I993-L1048 HydrophobicContact CG1-CG 4.37Å; I993-L1048 HydrophobicContact CG2-CG 4.25Å
994F86.8Confident75.5Confident2 Ų252.9 Ų52.91%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-93.5117.1174.3-61.3-110000108.4L982 R992 L1047 E1049 L1090 F1094L982-F994 HydrophobicContact CD1-CD1 3.75Å; L982-F994 HydrophobicContact CD1-CD2 3.75Å; L982-F994 HydrophobicContact CD1-CE1 3.68Å; L982-F994 HydrophobicContact CD1-CE2 3.65Å; L982-F994 HydrophobicContact CD1-CG 3.78Å; L982-F994 HydrophobicContact CD1-CZ 3.63Å; L982-F994 HydrophobicContact CD2-CD1 4.48Å; L982-F994 HydrophobicContact CD2-CE1 3.92Å; L982-F994 HydrophobicContact CD2-CZ 4.2Å; L982-F994 HydrophobicContact CG-CE1 4.36Å; R992-F994 HydrophobicContact CB-CD2 4.37Å; R992-F994 HydrophobicContact CB-CE2 3.85Å; F994-L1047 HydrophobicContact CB-CB 4.11Å; F994-L1047 HydrophobicContact CB-CD2 4.48Å; F994-L1047 HydrophobicContact CD2-CD2 4.08Å; F994-L1047 HydrophobicContact CD2-CG 4.24Å; F994-L1047 HydrophobicContact CG-CD2 4.31Å; F994-L1047 PolarHBondContact N-O 2.87Å; F994-L1047 PolarHBondContact O-N 2.99Å; F994-E1049 HydrophobicContact CE2-CB 4.38Å; F994-E1049 VanDerWaalsContact CE2-CD 3.49Å; F994-E1049 HydrophobicContact CE2-CG 4.18Å; F994-E1049 WeakPolarHBondContact CE2-OE2 3.18Å; F994-L1090 HydrophobicContact CB-CD2 4.12Å; F994-F1094 HydrophobicContact CB-CE2 4.12Å; F994-F1094 HydrophobicContact CB-CZ 4.29Å; F994-F1094 HydrophobicContact CD1-CB 4.25Å; F994-F1094 AromaticContact CD1-CD1 3.97Å; F994-F1094 HydrophobicContact CD1-CD1 3.97Å; F994-F1094 AromaticContact CD1-CD2 3.97Å; F994-F1094 HydrophobicContact CD1-CD2 3.97Å; F994-F1094 HydrophobicContact CD1-CE1 4.26Å; F994-F1094 HydrophobicContact CD1-CE2 4.25Å; F994-F1094 AromaticContact CD1-CG 3.81Å; F994-F1094 HydrophobicContact CD1-CG 3.81Å; F994-F1094 HydrophobicContact CD1-CZ 4.39Å; F994-F1094 HydrophobicContact CE1-CB 4.4Å; F994-F1094 HydrophobicContact CE1-CD1 4.5Å; F994-F1094 HydrophobicContact CE1-CG 4.38Å
995I86.9Confident76Confident0 Ų055.1 Ų55.10%027%0.269CS..EExtended strand (participates in β ladder)trans-113.1106.7178.5-59167.2000105.5A976 G980 G981 I983 I993 V999 I1000 I1006 I1046 F1094A976-I995 HydrophobicContact CB-CD1 3.38Å; G980-I995 CarbonylContact C-O 3.57Å; G980-I995 WeakPolarHBondContact CA-O 3.46Å; G981-I995 PolarHBondContact N-O 2.84Å; G981-I995 PolarHBondContact O-N 3.36Å; I983-I995 HydrophobicContact CD1-CD1 3.76Å; I983-I995 HydrophobicContact CG1-CD1 4.49Å; I993-I995 HydrophobicContact CG2-CD1 4.33Å; I993-I995 HydrophobicContact CG2-CG1 3.98Å; I995-V999 HydrophobicContact CG2-CB 4.49Å; I995-I1000 HydrophobicContact CD1-CD1 4.22Å; I995-I1000 HydrophobicContact CG2-CD1 3.66Å; I995-I1000 HydrophobicContact CG2-CG1 3.74Å; I995-I1006 HydrophobicContact CD1-CD1 3.69Å; I995-I1046 HydrophobicContact CB-CG2 4.3Å; I995-I1046 HydrophobicContact CG1-CG2 4.13Å; I995-I1046 HydrophobicContact CG2-CG2 4.08Å; I995-F1094 WeakPolarHBondContact O-CZ 3.29Å
996P83Confident76.7Confident4 Ų454.7 Ų54.73%0.02627%0.265CS..  trans-61.8155.5-179.7-16.626.9000111.5V999 T1089 L1090P996-V999 HydrophobicContact CB-CG2 3.64Å; P996-V999 HydrophobicContact CG-CG2 3.96Å; P996-V999 VanDerWaalsContact O-CB 3.22Å; P996-V999 WeakPolarHBondContact O-CB 3.48Å; P996-V999 VanDerWaalsContact O-CG2 3.25Å; P996-V999 WeakPolarHBondContact O-CG2 3.33Å; P996-V999 PolarHBondContact O-N 3.37Å; P996-T1089 HydrophobicContact CG-CG2 4.11Å; P996-L1090 HydrophobicContact CG-CD2 4.11Å
997P80.9Confident77.6Confident39 Ų3945.5 Ų45.525%0.25323%0.234SC..THydrogen-bonded Turntrans-59.7146.8177.8-26.537.7000113R979 V999 H1093R979-P997 WeakPolarHBondContact O-CA 3.28Å; R979-P997 WeakPolarHBondContact O-CB 3.28Å; R979-P997 WeakPolarHBondContact O-CG 3.36Å; P997-V999 PolarHBondContact O-N 3.34Å; P997-V999 VanDerWaalsContact O-N 3.17Å; P997-H1093 HydrophobicContact CG-CB 4.13Å
998N75Confident78.6Confident129 Ų12938.2 Ų38.269%0.6921%0.207SC*.THydrogen-bonded Turntrans64.26.8-177.8-47.4-45.2000115.6A978A978-N998 WeakPolarHBondContact O-CA 3.42Å; A978-N998 PolarHBondContact O-N 3.28Å
999V80.2Confident79.4Confident6 Ų640.4 Ų40.44%0.03622%0.215CC..  trans-76.5-22.6-178.7172.90000113.5I995 P996 P997 F1042 A1043 S1044 I1046I995-V999 HydrophobicContact CG2-CB 4.49Å; P996-V999 HydrophobicContact CB-CG2 3.64Å; P996-V999 HydrophobicContact CG-CG2 3.96Å; P996-V999 VanDerWaalsContact O-CB 3.22Å; P996-V999 WeakPolarHBondContact O-CB 3.48Å; P996-V999 VanDerWaalsContact O-CG2 3.25Å; P996-V999 WeakPolarHBondContact O-CG2 3.33Å; P996-V999 PolarHBondContact O-N 3.37Å; P997-V999 PolarHBondContact O-N 3.34Å; P997-V999 VanDerWaalsContact O-N 3.17Å; V999-F1042 HydrophobicContact CG1-CB 3.61Å; V999-F1042 HydrophobicContact CG1-CD1 4.13Å; V999-F1042 HydrophobicContact CG1-CG 4.12Å; V999-A1043 PolarHBondContact O-N 3Å; V999-S1044 VanDerWaalsContact CG1-O 3.27Å; V999-S1044 WeakPolarHBondContact CG1-O 3.41Å; V999-I1046 HydrophobicContact CG1-CG2 3.72Å
1000I77.6Confident80Confident15 Ų1538.6 Ų38.68%0.07720%0.201CC..SBendtrans-111.6138.7174.1-41.9-176000109.6A976 A978 I995 G1002 L1004 F1042A976-I1000 HydrophobicContact CB-CD1 3.72Å; A978-I1000 WeakPolarHBondContact CA-O 3.2Å; A978-I1000 VanDerWaalsContact CB-O 3.24Å; A978-I1000 WeakPolarHBondContact CB-O 3.43Å; I995-I1000 HydrophobicContact CD1-CD1 4.22Å; I995-I1000 HydrophobicContact CG2-CD1 3.66Å; I995-I1000 HydrophobicContact CG2-CG1 3.74Å; I1000-G1002 WeakPolarHBondContact CG2-O 3.42Å; I1000-G1002 PolarHBondContact O-N 2.92Å; I1000-L1004 HydrophobicContact CD1-CB 4.23Å; I1000-L1004 HydrophobicContact CD1-CD2 4.13Å; I1000-L1004 HydrophobicContact CG2-CB 3.95Å; I1000-L1004 HydrophobicContact CG2-CD2 4.23Å; I1000-F1042 HydrophobicContact CD1-CE1 3.97Å; I1000-F1042 HydrophobicContact CG1-CD1 3.94Å; I1000-F1042 HydrophobicContact CG1-CE1 3.87Å
1001N72.8Confident80.4Confident88 Ų8836 Ų3647%0.47119%0.188SC..SBendtrans-74.8-6.8-177.4-58.8-49.2000114.6R454R454-N1001 VanDerWaalsContact CZ-OD1 3.26Å; R454-N1001 PolarHBondContact NH1-OD1 2.98Å; R454-N1001 PolarHBondContact NH2-OD1 3.32Å
1002G73.7Confident80Confident23 Ų2337.7 Ų37.724%0.23720%0.196CC..SBendtrans179.4-175-174.900000111.7I1000 L1004I1000-G1002 WeakPolarHBondContact CG2-O 3.42Å; I1000-G1002 PolarHBondContact O-N 2.92Å; G1002-L1004 PolarHBondContact O-N 2.96Å
1003P74.9Confident79.5Confident87 Ų8737 Ų3757%0.56520%0.196SC*.  trans-67.2125.2177.127.8-33.8000112.3I975 A976I975-P1003 HydrophobicContact CG2-CB 3.85Å; A976-P1003 CarbonylContact O-C 3.55Å; A976-P1003 WeakPolarHBondContact O-CA 3.49Å
1004L76.1Confident78.7Confident18 Ų1842.1 Ų42.19%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-127118.7-177.717459.8000110.6I975 A976 I1000 G1002 I1006 P1037 I1040 F1042I975-L1004 CarbonylContact C-O 3.59Å; I975-L1004 WeakPolarHBondContact CA-O 3.41Å; A976-L1004 PolarHBondContact N-O 3.03Å; A976-L1004 PolarHBondContact O-N 2.92Å; I1000-L1004 HydrophobicContact CD1-CB 4.23Å; I1000-L1004 HydrophobicContact CD1-CD2 4.13Å; I1000-L1004 HydrophobicContact CG2-CB 3.95Å; I1000-L1004 HydrophobicContact CG2-CD2 4.23Å; G1002-L1004 PolarHBondContact O-N 2.96Å; L1004-I1006 HydrophobicContact CD2-CD1 4.22Å; L1004-I1006 HydrophobicContact CD2-CG1 3.86Å; L1004-I1006 HydrophobicContact CG-CG1 3.88Å; L1004-I1006 PolarHBondContact O-N 2.93Å; L1004-P1037 HydrophobicContact CD1-CG 3.81Å; L1004-I1040 HydrophobicContact CD1-CD1 3.43Å; L1004-I1040 VanDerWaalsContact CD1-CD1 3.43Å; L1004-I1040 HydrophobicContact CD2-CD1 4.24Å; L1004-I1040 HydrophobicContact CD2-CG2 3.96Å; L1004-I1040 HydrophobicContact CG-CD1 4.49Å; L1004-F1042 HydrophobicContact CD2-CE1 3.98Å; L1004-F1042 HydrophobicContact CD2-CZ 4.36Å
1005R82.9Confident78.1Confident152 Ų15252.1 Ų52.157%0.57426%0.261SS*.EExtended strand (participates in β ladder)trans-76101.2168.6-175-179.2-79.4-173.8-5109.4F974 I975 V1007 P1037F974-R1005 CarbonylContact O-C 3.38Å; F974-R1005 WeakPolarHBondContact O-CA 3.43Å; I975-R1005 HydrophobicContact CG1-CB 4.08Å; I975-R1005 HydrophobicContact CG1-CG 4.36Å; R1005-V1007 HydrophobicContact CG-CG2 4Å; R1005-P1037 WeakPolarHBondContact O-CD 3.35Å
1006I78.1Confident77.4Confident1 Ų153.1 Ų53.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-84.7121.9169.4-57.2-178.9000108S973 F974 I993 I995 L1004 I1035 G1036 F1042 L1116S973-I1006 WeakPolarHBondContact CA-O 3.38Å; F974-I1006 PolarHBondContact N-O 3.19Å; F974-I1006 PolarHBondContact O-N 3.48Å; I993-I1006 HydrophobicContact CD1-CG2 4.33Å; I995-I1006 HydrophobicContact CD1-CD1 3.69Å; L1004-I1006 HydrophobicContact CD2-CD1 4.22Å; L1004-I1006 HydrophobicContact CD2-CG1 3.86Å; L1004-I1006 HydrophobicContact CG-CG1 3.88Å; L1004-I1006 PolarHBondContact O-N 2.93Å; I1006-I1035 HydrophobicContact CG2-CG2 4.09Å; I1006-G1036 WeakPolarHBondContact CA-O 3.32Å; I1006-F1042 HydrophobicContact CD1-CZ 4.34Å; I1006-L1116 HydrophobicContact CD1-CD1 4.31Å; I1006-L1116 HydrophobicContact CG1-CD1 4.22Å; I1006-L1116 HydrophobicContact CG2-CD1 4.19Å
1007V81.6Confident76.9Confident30 Ų3061 Ų6118%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-110.8132.8174.1-175.20000108F970 V972 R1005 R1009 I1035 G1036F970-V1007 HydrophobicContact CB-CG1 4.26Å; V972-V1007 CarbonylContact O-C 3.58Å; V972-V1007 WeakPolarHBondContact O-CA 3.42Å; R1005-V1007 HydrophobicContact CG-CG2 4Å; V1007-R1009 HydrophobicContact CG1-CG 4.41Å; V1007-I1035 CarbonylContact O-C 3.57Å; V1007-I1035 WeakPolarHBondContact O-CA 3.38Å; V1007-G1036 PolarHBondContact N-O 3.13Å; V1007-G1036 PolarHBondContact O-N 2.94Å
1008C81.1Confident76.8Confident2 Ų261.4 Ų61.41%0.01431%0.312CS..EExtended strand (participates in β ladder)trans-129.4139.3169.8176.60000110.4L971 V972 L1033 E1034 I1035L971-C1008 WeakPolarHBondContact CA-O 3.48Å; L971-C1008 VanDerWaalsContact CB-O 3.26Å; L971-C1008 WeakPolarHBondContact CB-O 3.12Å; L971-C1008 PolarHBondContact N-O 3.28Å; V972-C1008 HydrophobicContact CB-CB 4.16Å; V972-C1008 PolarHBondContact N-O 2.82Å; V972-C1008 VanDerWaalsContact N-O 3.08Å; V972-C1008 PolarHBondContact O-N 2.98Å; C1008-L1033 VanDerWaalsContact SG-CD2 3.53Å; C1008-E1034 CarbonylContact C-O 3.6Å; C1008-E1034 VanDerWaalsContact CA-O 3.25Å; C1008-E1034 WeakPolarHBondContact CA-O 3.2Å; C1008-E1034 PolarHBondContact SG-O 3.47Å; C1008-I1035 HydrophobicContact CB-CG1 4.24Å
1009R82.1Confident77Confident54 Ų5458.3 Ų58.320%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-129.9147176.4-40.6-158.7-179.1102.2-7.7110.1F970 V1007 V1011 E1034F970-R1009 HydrophobicContact CB-CG 4.16Å; V1007-R1009 HydrophobicContact CG1-CG 4.41Å; R1009-V1011 HydrophobicContact CB-CG2 4.47Å; R1009-E1034 HydrophobicContact CB-CB 4.26Å; R1009-E1034 WeakPolarHBondContact CD-OE2 3.37Å; R1009-E1034 VanDerWaalsContact CG-OE2 3.28Å; R1009-E1034 WeakPolarHBondContact CG-OE2 3.47Å; R1009-E1034 IonicContact CZ-OE2 2.76Å; R1009-E1034 PolarHBondContact N-O 2.94Å; R1009-E1034 IonicContact NE-OE2 3Å; R1009-E1034 IonicContact NH1-OE1 3.49Å; R1009-E1034 PolarHBondContact NH1-OE1 2.91Å; R1009-E1034 VanDerWaalsContact NH1-OE1 3.11Å; R1009-E1034 IonicContact NH1-OE2 3.96Å; R1009-E1034 PolarHBondContact NH1-OE2 2.8Å; R1009-E1034 PolarHBondContact O-N 3.11Å
1010L79.3Confident77.1Confident34 Ų3458.5 Ų58.518%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-93.3115169.3-69.9178000109.6L971 Y988 R1031 L1032 L1033L971-L1010 HydrophobicContact CD1-CD1 3.7Å; L971-L1010 HydrophobicContact CD1-CG 3.93Å; L971-L1010 HydrophobicContact CD2-CD1 4.09Å; L971-L1010 HydrophobicContact CD2-CG 3.93Å; L971-L1010 HydrophobicContact CG-CG 4.43Å; Y988-L1010 HydrophobicContact CD1-CD1 4.46Å; Y988-L1010 HydrophobicContact CD2-CD1 3.85Å; Y988-L1010 HydrophobicContact CE1-CD1 4.21Å; Y988-L1010 HydrophobicContact CE2-CD1 3.6Å; Y988-L1010 HydrophobicContact CG-CD1 4.27Å; L1010-R1031 HydrophobicContact CB-CB 3.93Å; L1010-R1031 HydrophobicContact CD2-CB 4.1Å; L1010-R1031 HydrophobicContact CG-CB 4.38Å; L1010-L1032 CarbonylContact C-O 3.58Å; L1010-L1032 WeakPolarHBondContact CA-O 3.41Å; L1010-L1033 HydrophobicContact CD2-CD2 3.55Å; L1010-L1033 HydrophobicContact CD2-CG 4.11Å
1011V80.4Confident77.2Confident21 Ų2164 Ų6413%0.12733%0.328CS..EExtended strand (participates in β ladder)trans-107.7132.6-176.3-178.30000109.5R1009 R1015 M1016 L1032 E1034R1009-V1011 HydrophobicContact CB-CG2 4.47Å; V1011-R1015 HydrophobicContact CG1-CB 3.97Å; V1011-M1016 HydrophobicContact CG1-CG 4.09Å; V1011-L1032 PolarHBondContact N-O 3.04Å; V1011-L1032 WeakPolarHBondContact O-CB 3.41Å; V1011-L1032 PolarHBondContact O-N 3.2Å; V1011-E1034 HydrophobicContact CG2-CB 3.71Å
1012H75.6Confident77.5Confident42 Ų4263.5 Ų63.519%0.19432%0.324CS..  trans-77.2137171.8-171.1-78.3000109.4D1014 R1015 R1382H1012-D1014 VanDerWaalsContact C-N 3.26Å; H1012-D1014 IonicContact CE1-OD1 2.73Å; H1012-D1014 PolarHBondContact CE1-OD1 3.05Å; H1012-D1014 VanDerWaalsContact CE1-OD1 3.22Å; H1012-D1014 IonicContact CE1-OD2 3.67Å; H1012-D1014 PolarHBondContact CE1-OD2 2.71Å; H1012-D1014 VanDerWaalsContact ND1-CG 3.27Å; H1012-D1014 PolarHBondContact ND1-N 2.92Å; H1012-D1014 IonicContact ND1-OD1 3.82Å; H1012-D1014 PolarHBondContact ND1-OD1 3.42Å; H1012-D1014 IonicContact ND1-OD2 3.66Å; H1012-D1014 PolarHBondContact ND1-OD2 2.81Å; H1012-D1014 PolarHBondContact O-N 3.08Å; H1012-D1014 VanDerWaalsContact O-N 3.11Å; H1012-R1015 WeakPolarHBondContact O-CB 3.45Å; H1012-R1015 PolarHBondContact O-N 2.92Å; H1012-R1382 PolarHBondContact NE2-NE 3.07Å
1013P72.6Confident77.9Confident26 Ų2665 Ų6517%0.16933%0.327CS..G310 helixtrans-48.2-43.2-175.3-31.436.4000114.9R1015 M1016 P1019 L1028 L1032P1013-R1015 PolarHBondContact O-N 3.07Å; P1013-M1016 PolarHBondContact O-N 3.31Å; P1013-P1019 HydrophobicContact CB-CB 4.45Å; P1013-L1028 HydrophobicContact CG-CD1 3.38Å; P1013-L1032 HydrophobicContact CB-CD1 4.15Å; P1013-L1032 HydrophobicContact CG-CD1 3.91Å; P1013-L1032 HydrophobicContact CG-CG 4.31Å
1014D71.8Confident78.1Confident111 Ų11162.2 Ų62.259%0.59431%0.307SS*.G310 helixtrans-58.5-8.6178.9-48.63.9000114.6H1012 R1382H1012-D1014 VanDerWaalsContact C-N 3.26Å; H1012-D1014 IonicContact CE1-OD1 2.73Å; H1012-D1014 PolarHBondContact CE1-OD1 3.05Å; H1012-D1014 VanDerWaalsContact CE1-OD1 3.22Å; H1012-D1014 IonicContact CE1-OD2 3.67Å; H1012-D1014 PolarHBondContact CE1-OD2 2.71Å; H1012-D1014 VanDerWaalsContact ND1-CG 3.27Å; H1012-D1014 PolarHBondContact ND1-N 2.92Å; H1012-D1014 IonicContact ND1-OD1 3.82Å; H1012-D1014 PolarHBondContact ND1-OD1 3.42Å; H1012-D1014 IonicContact ND1-OD2 3.66Å; H1012-D1014 PolarHBondContact ND1-OD2 2.81Å; H1012-D1014 PolarHBondContact O-N 3.08Å; H1012-D1014 VanDerWaalsContact O-N 3.11Å; D1014-R1382 IonicContact OD1-NH2 3.01Å; D1014-R1382 IonicContact OD2-CZ 3.13Å; D1014-R1382 IonicContact OD2-NH2 2.66Å; D1014-R1382 PolarHBondContact OD2-NH2 3.41Å
1015R73.6Confident78.4Confident212 Ų21261.8 Ų61.880%0.831%0.307SS*.G310 helixtrans-940173.6-64.7-169.7178.5-165.20.2114.3V1011 H1012 P1013V1011-R1015 HydrophobicContact CG1-CB 3.97Å; H1012-R1015 WeakPolarHBondContact O-CB 3.45Å; H1012-R1015 PolarHBondContact O-N 2.92Å; P1013-R1015 PolarHBondContact O-N 3.07Å
1016M71.7Confident78.6Confident21 Ų2155.8 Ų55.810%0.10329%0.286CS..SBendtrans-113.6143-180-56.3-167.9-39.700112.2V1011 P1013 S1018 P1019 L1032 W1074 Y1119V1011-M1016 HydrophobicContact CG1-CG 4.09Å; P1013-M1016 PolarHBondContact O-N 3.31Å; M1016-S1018 VanDerWaalsContact C-N 3.28Å; M1016-S1018 PolarHBondContact O-N 3.44Å; M1016-P1019 HydrophobicContact CE-CB 4.2Å; M1016-L1032 HydrophobicContact CE-CD1 3.33Å; M1016-L1032 HydrophobicContact SD-CD1 3.75Å; M1016-W1074 HydrophobicContact CE-CH2 4.13Å; M1016-W1074 HydrophobicContact CE-CZ2 3.53Å; M1016-W1074 HydrophobicContact SD-CZ2 4.33Å; M1016-Y1119 HydrophobicContact SD-CD1 3.83Å; M1016-Y1119 HydrophobicContact SD-CE1 3.64Å; M1016-Y1119 HydrophobicContact SD-CE2 4.44Å; M1016-Y1119 HydrophobicContact SD-CG 4.31Å
1017N72.7Confident79.1Confident170 Ų17055.9 Ų55.991%0.90929%0.288SS*.SBendtrans-68.5-24.1179.2-62.8-8.2000113.7
1018S78.8Confident79.5Confident48 Ų4855.2 Ų55.234%0.33628%0.283SS..SBendtrans-142.676.8-175.9-66.90000111.8M1016 G1071 W1074M1016-S1018 VanDerWaalsContact C-N 3.28Å; M1016-S1018 PolarHBondContact O-N 3.44Å; S1018-G1071 WeakPolarHBondContact CB-O 3.37Å; S1018-W1074 PolarHBondContact O-NE1 2.72Å
1019P79.8Confident79.8Confident63 Ų6355.1 Ų55.141%0.40928%0.283SS..  trans-64.3159.4176.827.1-34.8000113.6P1013 M1016P1013-P1019 HydrophobicContact CB-CB 4.45Å; M1016-P1019 HydrophobicContact CE-CB 4.2Å
1020P82Confident80Confident10 Ų1052.8 Ų52.87%0.06527%0.274CS..  trans-61.6138179.524.3-33.5000112.2M1022 L1028 L1032 L1066 W1074 A1121 I1123P1020-M1022 PolarHBondContact O-N 3.12Å; P1020-L1028 HydrophobicContact CG-CD2 4.23Å; P1020-L1032 HydrophobicContact CG-CD2 4.11Å; P1020-L1066 HydrophobicContact CB-CD1 4.2Å; P1020-W1074 HydrophobicContact CB-CD2 3.76Å; P1020-W1074 HydrophobicContact CB-CE3 4.03Å; P1020-W1074 HydrophobicContact CB-CG 4.02Å; P1020-W1074 HydrophobicContact CG-CD2 4.49Å; P1020-A1121 HydrophobicContact CG-CB 4.14Å; P1020-I1123 HydrophobicContact CB-CD1 4.43Å
1021I79.3Confident80.4Confident130 Ų13053.9 Ų53.967%0.66728%0.276SS*.  trans-84.1112.2-176-64.5175.3000109.5T1243I1021-T1243 HydrophobicContact CG2-CG2 3.39Å
1022M80.3Confident80.7Confident79 Ų7953 Ų5339%0.38927%0.271SS..  trans-104.7146.5-173.8-64.6-175-67.100112.7P1020 D1026 L1028 I1123 T1243P1020-M1022 PolarHBondContact O-N 3.12Å; M1022-D1026 HydrophobicContact CB-CB 4.06Å; M1022-L1028 HydrophobicContact SD-CG 4.26Å; M1022-I1123 HydrophobicContact CG-CD1 4.31Å; M1022-T1243 WeakPolarHBondContact O-CG2 3.35Å
1023N81Confident81.4Confident54 Ų5451 Ų5129%0.28926%0.262SS..  trans-94.6168.9174.7-50.8-94000112G1025 D1026 R1194 G1242N1023-G1025 PolarHBondContact O-N 3.4Å; N1023-G1025 VanDerWaalsContact O-N 3.08Å; N1023-D1026 VanDerWaalsContact CB-OD2 3.26Å; N1023-D1026 WeakPolarHBondContact CB-OD2 3.38Å; N1023-D1026 PolarHBondContact N-OD2 3.34Å; N1023-D1026 PolarHBondContact ND2-OD2 3.4Å; N1023-D1026 VanDerWaalsContact O-CB 3.32Å; N1023-D1026 WeakPolarHBondContact O-CB 3.38Å; N1023-D1026 PolarHBondContact O-N 3.37Å; N1023-R1194 PolarHBondContact OD1-NH2 3.36Å; N1023-G1242 PolarHBondContact OD1-O 3.24Å
1024D79.7Confident82.1Confident29 Ų2951.4 Ų51.416%0.15526%0.261CS..THydrogen-bonded Turntrans-53.2115175.4-27.2-15.1000111.7P1245 A1246 R1273 L1297D1024-P1245 WeakPolarHBondContact OD2-CA 3.46Å; D1024-A1246 PolarHBondContact OD2-N 3.3Å; D1024-R1273 IonicContact OD2-CZ 3.8Å; D1024-R1273 IonicContact OD2-NH1 3.07Å; D1024-R1273 PolarHBondContact OD2-NH1 3.23Å; D1024-R1273 IonicContact OD2-NH2 3.11Å; D1024-R1273 PolarHBondContact OD2-NH2 3.05Å; D1024-L1297 HydrophobicContact CB-CD1 3.58Å
1025G81.1Confident82.8Confident9 Ų946.2 Ų46.29%0.09323%0.234CC..THydrogen-bonded Turntrans90.1-1.9-178.900000115.7N1023 R1061N1023-G1025 PolarHBondContact O-N 3.4Å; N1023-G1025 VanDerWaalsContact O-N 3.08Å; G1025-R1061 PolarHBondContact O-NH1 2.89Å; G1025-R1061 PolarHBondContact O-NH2 2.89Å
1026D88.7Confident83Confident25 Ų2537 Ų3713%0.13421%0.205CC..  trans-79.1146.9165.6-61.2-15.4000109.6M1022 N1023 I1123 T1124 R1125M1022-D1026 HydrophobicContact CB-CB 4.06Å; N1023-D1026 VanDerWaalsContact CB-OD2 3.26Å; N1023-D1026 WeakPolarHBondContact CB-OD2 3.38Å; N1023-D1026 PolarHBondContact N-OD2 3.34Å; N1023-D1026 PolarHBondContact ND2-OD2 3.4Å; N1023-D1026 VanDerWaalsContact O-CB 3.32Å; N1023-D1026 WeakPolarHBondContact O-CB 3.38Å; N1023-D1026 PolarHBondContact O-N 3.37Å; D1026-I1123 HydrophobicContact CB-CG2 3.95Å; D1026-T1124 WeakPolarHBondContact CA-O 3.42Å; D1026-R1125 WeakPolarHBondContact OD1-CB 3.38Å
1027G87.8Confident83.5Confident4 Ų438.4 Ų38.44%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-154.1158.8173.200000111.4I1123 T1124G1027-I1123 CarbonylContact O-C 3.57Å; G1027-I1123 VanDerWaalsContact O-CA 3.31Å; G1027-I1123 WeakPolarHBondContact O-CA 3.39Å; G1027-I1123 WeakPolarHBondContact O-CG2 3.31Å; G1027-T1124 PolarHBondContact N-O 3.19Å; G1027-T1124 WeakPolarHBondContact O-CG2 3.47Å; G1027-T1124 PolarHBondContact O-N 3.5Å
1028L89.4Confident83.8Confident16 Ų1633.5 Ų33.58%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-67.8137.2176.8-67.2172.3000110.2P1013 P1020 M1022 L1032 A1121 L1122 I1123 Y1301 F1381P1013-L1028 HydrophobicContact CG-CD1 3.38Å; P1020-L1028 HydrophobicContact CG-CD2 4.23Å; M1022-L1028 HydrophobicContact SD-CG 4.26Å; L1028-L1032 HydrophobicContact CD1-CD2 4.18Å; L1028-L1032 HydrophobicContact CD1-CG 4.35Å; L1028-L1032 HydrophobicContact CD2-CD2 3.72Å; L1028-A1121 HydrophobicContact CD2-CB 4.22Å; L1028-L1122 CarbonylContact C-O 3.6Å; L1028-L1122 WeakPolarHBondContact CA-O 3.46Å; L1028-I1123 HydrophobicContact CD2-CG1 4.23Å; L1028-Y1301 VanDerWaalsContact O-CE1 3.26Å; L1028-Y1301 WeakPolarHBondContact O-CE1 3.35Å; L1028-Y1301 PolarHBondContact O-OH 3.05Å; L1028-F1381 HydrophobicContact CB-CE2 4.04Å; L1028-F1381 WeakPolarHBondContact O-CE2 3.25Å; L1028-F1381 WeakPolarHBondContact O-CZ 3.37Å
1029A88.4Confident83.9Confident0 Ų033.4 Ų33.40%020%0.2CC..SBendtrans-90.5-13.4177.700000113H1052 Y1053 A1054 I1063 L1122A1029-H1052 HydrophobicContact CB-CB 4.2Å; A1029-Y1053 PolarHBondContact O-N 3.01Å; A1029-A1054 HydrophobicContact CB-CB 3.95Å; A1029-I1063 HydrophobicContact CB-CD1 4.08Å; A1029-I1063 HydrophobicContact CB-CG1 4.37Å; A1029-L1122 HydrophobicContact CB-CB 3.96Å; A1029-L1122 PolarHBondContact N-O 2.89Å
1030C86.7Confident83.9Confident4 Ų432.8 Ų32.83%0.02719%0.192CC..SBendtrans-155170.3171.7640000109.4F1381C1030-F1381 VanDerWaalsContact CA-CE1 3.5Å
1031R86.6Confident84Confident58 Ų5839.3 Ų39.322%0.21922%0.215CC..SBendtrans-56.5152.9164.9-65.7-178.1-162.2166.813.4110L1010 D1326 D1327 F1381L1010-R1031 HydrophobicContact CB-CB 3.93Å; L1010-R1031 HydrophobicContact CD2-CB 4.1Å; L1010-R1031 HydrophobicContact CG-CB 4.38Å; R1031-D1326 IonicContact CZ-OD2 2.68Å; R1031-D1326 IonicContact NE-OD2 3.56Å; R1031-D1326 PolarHBondContact NE-OD2 3.36Å; R1031-D1326 VanDerWaalsContact NH2-CG 3.28Å; R1031-D1326 IonicContact NH2-OD1 2.7Å; R1031-D1326 PolarHBondContact NH2-OD1 3.24Å; R1031-D1326 IonicContact NH2-OD2 2.72Å; R1031-D1326 PolarHBondContact NH2-OD2 3.33Å; R1031-D1327 IonicContact CZ-OD2 2.77Å; R1031-D1327 IonicContact NH1-OD2 2.92Å; R1031-D1327 IonicContact NH2-OD2 2.97Å; R1031-D1327 PolarHBondContact NH2-OD2 3.32Å; R1031-F1381 HydrophobicContact CG-CB 3.83Å; R1031-F1381 HydrophobicContact CG-CD1 4.13Å; R1031-F1381 HydrophobicContact CG-CG 4.16Å
1032L87.8Confident84.2Confident1 Ų133.8 Ų33.81%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-67.8137.5-175.2-59.7167.3000110.6L1010 V1011 P1013 M1016 P1020 L1028 E1034 A1121L1010-L1032 CarbonylContact C-O 3.58Å; L1010-L1032 WeakPolarHBondContact CA-O 3.41Å; V1011-L1032 PolarHBondContact N-O 3.04Å; V1011-L1032 WeakPolarHBondContact O-CB 3.41Å; V1011-L1032 PolarHBondContact O-N 3.2Å; P1013-L1032 HydrophobicContact CB-CD1 4.15Å; P1013-L1032 HydrophobicContact CG-CD1 3.91Å; P1013-L1032 HydrophobicContact CG-CG 4.31Å; M1016-L1032 HydrophobicContact CE-CD1 3.33Å; M1016-L1032 HydrophobicContact SD-CD1 3.75Å; P1020-L1032 HydrophobicContact CG-CD2 4.11Å; L1028-L1032 HydrophobicContact CD1-CD2 4.18Å; L1028-L1032 HydrophobicContact CD1-CG 4.35Å; L1028-L1032 HydrophobicContact CD2-CD2 3.72Å; L1032-E1034 PolarHBondContact O-N 2.87Å; L1032-A1121 HydrophobicContact CD2-CB 3.48Å; L1032-A1121 VanDerWaalsContact CD2-CB 3.48Å
1033L88.7Confident84.3Confident2 Ų233.4 Ų33.41%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-94.199-179.1-68.6154.7000108.9L991 C1008 L1010 I1035 I1050 Y1119 F1120 L1122L991-L1033 HydrophobicContact CD1-CD2 4.02Å; C1008-L1033 VanDerWaalsContact SG-CD2 3.53Å; L1010-L1033 HydrophobicContact CD2-CD2 3.55Å; L1010-L1033 HydrophobicContact CD2-CG 4.11Å; L1033-I1035 HydrophobicContact CB-CG1 4.31Å; L1033-I1050 HydrophobicContact CD1-CD1 3.53Å; L1033-I1050 HydrophobicContact CD1-CG1 4Å; L1033-I1050 HydrophobicContact CD1-CG2 4.05Å; L1033-Y1119 CarbonylContact O-C 3.55Å; L1033-Y1119 VanDerWaalsContact O-CA 3.24Å; L1033-Y1119 WeakPolarHBondContact O-CA 3.39Å; L1033-F1120 HydrophobicContact CB-CB 4.21Å; L1033-F1120 HydrophobicContact CD1-CB 4.29Å; L1033-F1120 PolarHBondContact N-O 3.1Å; L1033-F1120 PolarHBondContact O-N 2.84Å; L1033-L1122 HydrophobicContact CD1-CD1 3.79Å
1034E88.5Confident84.3Confident34 Ų3433 Ų3316%0.15920%0.197CC..EExtended strand (participates in β ladder)trans-70.3127.1161-177.7-169.3-155.500107.5C1008 R1009 V1011 L1032 Q1118 Y1119C1008-E1034 CarbonylContact C-O 3.6Å; C1008-E1034 VanDerWaalsContact CA-O 3.25Å; C1008-E1034 WeakPolarHBondContact CA-O 3.2Å; C1008-E1034 PolarHBondContact SG-O 3.47Å; R1009-E1034 HydrophobicContact CB-CB 4.26Å; R1009-E1034 WeakPolarHBondContact CD-OE2 3.37Å; R1009-E1034 VanDerWaalsContact CG-OE2 3.28Å; R1009-E1034 WeakPolarHBondContact CG-OE2 3.47Å; R1009-E1034 IonicContact CZ-OE2 2.76Å; R1009-E1034 PolarHBondContact N-O 2.94Å; R1009-E1034 IonicContact NE-OE2 3Å; R1009-E1034 IonicContact NH1-OE1 3.49Å; R1009-E1034 PolarHBondContact NH1-OE1 2.91Å; R1009-E1034 VanDerWaalsContact NH1-OE1 3.11Å; R1009-E1034 IonicContact NH1-OE2 3.96Å; R1009-E1034 PolarHBondContact NH1-OE2 2.8Å; R1009-E1034 PolarHBondContact O-N 3.11Å; V1011-E1034 HydrophobicContact CG2-CB 3.71Å; L1032-E1034 PolarHBondContact O-N 2.87Å; E1034-Q1118 CarbonylContact C-O 3.41Å; E1034-Q1118 WeakPolarHBondContact CA-O 3.3Å; E1034-Y1119 HydrophobicContact CB-CD1 3.96Å; E1034-Y1119 HydrophobicContact CB-CE1 3.8Å; E1034-Y1119 HydrophobicContact CG-CD1 4.38Å; E1034-Y1119 HydrophobicContact CG-CE1 3.93Å
1035I86.6Confident84.6Confident2 Ų231.9 Ų31.91%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-128.9130175.4-49.3-169.4000110I1006 V1007 C1008 L1033 L1048 L1116 Q1118 F1120I1006-I1035 HydrophobicContact CG2-CG2 4.09Å; V1007-I1035 CarbonylContact O-C 3.57Å; V1007-I1035 WeakPolarHBondContact O-CA 3.38Å; C1008-I1035 HydrophobicContact CB-CG1 4.24Å; L1033-I1035 HydrophobicContact CB-CG1 4.31Å; I1035-L1048 HydrophobicContact CD1-CD2 3.67Å; I1035-L1116 HydrophobicContact CG2-CD1 4.01Å; I1035-L1116 HydrophobicContact CG2-CD2 4.07Å; I1035-L1116 HydrophobicContact CG2-CG 4.42Å; I1035-Q1118 PolarHBondContact N-O 3.09Å; I1035-F1120 HydrophobicContact CD1-CD2 3.76Å; I1035-F1120 HydrophobicContact CD1-CE2 4.16Å
1036G76.4Confident84.9Confident19 Ų1931.5 Ų31.520%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-121.7152.9172.900000112I1006 V1007I1006-G1036 WeakPolarHBondContact CA-O 3.32Å; V1007-G1036 PolarHBondContact N-O 3.13Å; V1007-G1036 PolarHBondContact O-N 2.94Å
1037P82.9Confident84.9Confident49 Ų4930.3 Ų30.332%0.31818%0.181SC..SBendcis-83.3135.9-0.2-8.928.4000111.4L1004 R1005 I1040L1004-P1037 HydrophobicContact CD1-CG 3.81Å; R1005-P1037 WeakPolarHBondContact O-CD 3.35Å; P1037-I1040 HydrophobicContact CB-CD1 3.68Å; P1037-I1040 HydrophobicContact CB-CG1 4.33Å; P1037-I1040 HydrophobicContact CG-CD1 3.64Å
1038P80.2Confident85Confident67 Ų6730.3 Ų30.344%0.43518%0.181SC..THydrogen-bonded Turntrans-68.7153.4-179.729.6-35.7000112.3I1040 L1116 Q1118P1038-I1040 VanDerWaalsContact C-N 3.28Å; P1038-I1040 PolarHBondContact O-N 3.1Å; P1038-L1116 CarbonylContact C-O 3.57Å; P1038-L1116 WeakPolarHBondContact CA-O 3.43Å; P1038-Q1118 HydrophobicContact CB-CB 3.93Å
1039G79Confident84.9Confident47 Ų4729.6 Ų29.649%0.48518%0.177SC..THydrogen-bonded Turntrans79.10.1175.100000115.3R1041 L1116G1039-R1041 PolarHBondContact O-N 2.98Å; G1039-L1116 PolarHBondContact N-O 2.82Å
1040I81.7Confident84.9Confident50 Ų5029.8 Ų29.826%0.25618%0.178SC..  trans-75.2122.2178.7-69-175.1000110.5L1004 P1037 P1038 F1042 D1115 L1116L1004-I1040 HydrophobicContact CD1-CD1 3.43Å; L1004-I1040 VanDerWaalsContact CD1-CD1 3.43Å; L1004-I1040 HydrophobicContact CD2-CD1 4.24Å; L1004-I1040 HydrophobicContact CD2-CG2 3.96Å; L1004-I1040 HydrophobicContact CG-CD1 4.49Å; P1037-I1040 HydrophobicContact CB-CD1 3.68Å; P1037-I1040 HydrophobicContact CB-CG1 4.33Å; P1037-I1040 HydrophobicContact CG-CD1 3.64Å; P1038-I1040 VanDerWaalsContact C-N 3.28Å; P1038-I1040 PolarHBondContact O-N 3.1Å; I1040-F1042 HydrophobicContact CG2-CE1 4.44Å; I1040-D1115 CarbonylContact O-C 3.59Å; I1040-D1115 WeakPolarHBondContact O-CA 3.21Å; I1040-D1115 VanDerWaalsContact O-CB 3.29Å; I1040-D1115 WeakPolarHBondContact O-CB 3.35Å; I1040-L1116 PolarHBondContact O-N 2.69Å
1041R83.6Confident84.9Confident146 Ų14630.1 Ų30.155%0.55118%0.18SC*.EExtended strand (participates in β ladder)trans-92146.3172.3-59.3-170.3-173.4158.810.6112.2G1039 Y1114 D1115 S1807 D1808G1039-R1041 PolarHBondContact O-N 2.98Å; R1041-Y1114 CarbonylContact C-O 3.44Å; R1041-Y1114 WeakPolarHBondContact CA-O 3.17Å; R1041-D1115 HydrophobicContact CG-CB 4.09Å; R1041-S1807 PolarHBondContact NH2-O 3.41Å; R1041-D1808 IonicContact CZ-OD1 3.23Å; R1041-D1808 IonicContact NH1-OD1 2.67Å; R1041-D1808 PolarHBondContact NH1-OD1 2.79Å; R1041-D1808 IonicContact NH2-OD1 3.01Å
1042F83.7Confident85Confident14 Ų1427.7 Ų27.76%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-109.4151.5179.5-64.5-60.1000110.9V999 I1000 L1004 I1006 I1040 S1044 I1046 Y1114 L1116V999-F1042 HydrophobicContact CG1-CB 3.61Å; V999-F1042 HydrophobicContact CG1-CD1 4.13Å; V999-F1042 HydrophobicContact CG1-CG 4.12Å; I1000-F1042 HydrophobicContact CD1-CE1 3.97Å; I1000-F1042 HydrophobicContact CG1-CD1 3.94Å; I1000-F1042 HydrophobicContact CG1-CE1 3.87Å; L1004-F1042 HydrophobicContact CD2-CE1 3.98Å; L1004-F1042 HydrophobicContact CD2-CZ 4.36Å; I1006-F1042 HydrophobicContact CD1-CZ 4.34Å; I1040-F1042 HydrophobicContact CG2-CE1 4.44Å; F1042-S1044 VanDerWaalsContact CB-O 3.22Å; F1042-S1044 WeakPolarHBondContact CB-O 3.19Å; F1042-I1046 HydrophobicContact CB-CG2 4.4Å; F1042-I1046 HydrophobicContact CD1-CG2 4.02Å; F1042-I1046 HydrophobicContact CD2-CB 4.4Å; F1042-I1046 HydrophobicContact CD2-CD1 4.1Å; F1042-I1046 HydrophobicContact CD2-CG1 3.79Å; F1042-I1046 HydrophobicContact CD2-CG2 3.8Å; F1042-I1046 HydrophobicContact CE1-CG2 4.19Å; F1042-I1046 HydrophobicContact CE2-CB 4.43Å; F1042-I1046 HydrophobicContact CE2-CD1 3.36Å; F1042-I1046 HydrophobicContact CE2-CG1 3.58Å; F1042-I1046 HydrophobicContact CE2-CG2 3.99Å; F1042-I1046 HydrophobicContact CG-CG2 3.82Å; F1042-I1046 HydrophobicContact CZ-CD1 3.72Å; F1042-I1046 HydrophobicContact CZ-CG1 4.29Å; F1042-I1046 HydrophobicContact CZ-CG2 4.18Å; F1042-Y1114 WeakPolarHBondContact CB-O 3.37Å; F1042-Y1114 PolarHBondContact N-O 3.17Å; F1042-L1116 HydrophobicContact CE2-CD1 4.41Å; F1042-L1116 HydrophobicContact CE2-CD2 3.75Å; F1042-L1116 HydrophobicContact CE2-CG 3.66Å; F1042-L1116 HydrophobicContact CZ-CD1 3.99Å; F1042-L1116 HydrophobicContact CZ-CD2 4.05Å; F1042-L1116 HydrophobicContact CZ-CG 3.75Å
1043A81.1Confident85.1Confident72 Ų7229.3 Ų29.360%0.59518%0.177SC*.EExtended strand (participates in β ladder)trans-77.7-26-175.900000114.2V999V999-A1043 PolarHBondContact O-N 3Å
1044S81.7Confident85Confident44 Ų4429.3 Ų29.331%0.30818%0.177SC..EExtended strand (participates in β ladder)trans-130170.4166.3-147.40000107.2V999 F1042V999-S1044 VanDerWaalsContact CG1-O 3.27Å; V999-S1044 WeakPolarHBondContact CG1-O 3.41Å; F1042-S1044 VanDerWaalsContact CB-O 3.22Å; F1042-S1044 WeakPolarHBondContact CB-O 3.19Å
1045P86.3Confident84.9Confident7 Ų730.1 Ų30.15%0.04518%0.18CC..EExtended strand (participates in β ladder)trans-64.3146.3174.3-9.223.1000110.5T1089 L1112 T1113 Y1114P1045-T1089 HydrophobicContact CB-CG2 3.91Å; P1045-T1089 HydrophobicContact CG-CG2 4.03Å; P1045-T1089 WeakPolarHBondContact O-CG2 3.26Å; P1045-L1112 HydrophobicContact CB-CB 4.29Å; P1045-L1112 HydrophobicContact CB-CD2 4.33Å; P1045-T1113 CarbonylContact C-O 3.22Å; P1045-T1113 VanDerWaalsContact CA-O 3.3Å; P1045-T1113 WeakPolarHBondContact CA-O 3.16Å; P1045-Y1114 HydrophobicContact CB-CD1 4.41Å; P1045-Y1114 HydrophobicContact CB-CE1 4.35Å; P1045-Y1114 VanDerWaalsContact CD-CE1 3.42Å; P1045-Y1114 HydrophobicContact CG-CD1 4.09Å; P1045-Y1114 HydrophobicContact CG-CE1 3.54Å; P1045-Y1114 HydrophobicContact CG-CE2 4.38Å
1046I87.4Confident84.7Confident1 Ų132.4 Ų32.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-93.2155.8158.465.5159.6000109.2I993 I995 V999 F1042 L1048 L1112 T1113 L1116I993-I1046 HydrophobicContact CG2-CD1 3.99Å; I995-I1046 HydrophobicContact CB-CG2 4.3Å; I995-I1046 HydrophobicContact CG1-CG2 4.13Å; I995-I1046 HydrophobicContact CG2-CG2 4.08Å; V999-I1046 HydrophobicContact CG1-CG2 3.72Å; F1042-I1046 HydrophobicContact CB-CG2 4.4Å; F1042-I1046 HydrophobicContact CD1-CG2 4.02Å; F1042-I1046 HydrophobicContact CD2-CB 4.4Å; F1042-I1046 HydrophobicContact CD2-CD1 4.1Å; F1042-I1046 HydrophobicContact CD2-CG1 3.79Å; F1042-I1046 HydrophobicContact CD2-CG2 3.8Å; F1042-I1046 HydrophobicContact CE1-CG2 4.19Å; F1042-I1046 HydrophobicContact CE2-CB 4.43Å; F1042-I1046 HydrophobicContact CE2-CD1 3.36Å; F1042-I1046 HydrophobicContact CE2-CG1 3.58Å; F1042-I1046 HydrophobicContact CE2-CG2 3.99Å; F1042-I1046 HydrophobicContact CG-CG2 3.82Å; F1042-I1046 HydrophobicContact CZ-CD1 3.72Å; F1042-I1046 HydrophobicContact CZ-CG1 4.29Å; F1042-I1046 HydrophobicContact CZ-CG2 4.18Å; I1046-L1048 HydrophobicContact CD1-CD1 3.74Å; I1046-L1048 HydrophobicContact CG1-CD1 3.95Å; I1046-L1112 WeakPolarHBondContact O-CA 3.34Å; I1046-T1113 HydrophobicContact CD1-CG2 4.27Å; I1046-T1113 HydrophobicContact CG1-CG2 3.76Å; I1046-T1113 PolarHBondContact N-O 2.86Å; I1046-T1113 PolarHBondContact O-N 2.87Å; I1046-L1116 HydrophobicContact CD1-CD2 3.95Å
1047L88.7Confident84.5Confident0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-110.5116.3176.616866.8000109.9F994 E1049 V1086 L1090 R1110 I1111 L1112F994-L1047 HydrophobicContact CB-CB 4.11Å; F994-L1047 HydrophobicContact CB-CD2 4.48Å; F994-L1047 HydrophobicContact CD2-CD2 4.08Å; F994-L1047 HydrophobicContact CD2-CG 4.24Å; F994-L1047 HydrophobicContact CG-CD2 4.31Å; F994-L1047 PolarHBondContact N-O 2.87Å; F994-L1047 PolarHBondContact O-N 2.99Å; L1047-E1049 HydrophobicContact CG-CG 4.45Å; L1047-V1086 HydrophobicContact CD1-CG2 4.37Å; L1047-V1086 HydrophobicContact CD2-CG1 3.92Å; L1047-L1090 HydrophobicContact CB-CD2 4.41Å; L1047-L1090 HydrophobicContact CD2-CD1 4.08Å; L1047-L1090 HydrophobicContact CD2-CD2 4.43Å; L1047-R1110 HydrophobicContact CD1-CB 3.76Å; L1047-R1110 HydrophobicContact CD1-CG 3.8Å; L1047-I1111 WeakPolarHBondContact CA-O 3.46Å; L1047-L1112 HydrophobicContact CB-CD2 3.83Å; L1047-L1112 HydrophobicContact CD1-CD2 3.99Å; L1047-L1112 HydrophobicContact CG-CD2 4.48Å
1048L89.3Confident83.7Confident4 Ų437.3 Ų37.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-94.1131.6166-59.778.1000108.6I993 I1035 I1046 I1050 R1110 I1111 T1113 F1120I993-L1048 HydrophobicContact CG1-CG 4.37Å; I993-L1048 HydrophobicContact CG2-CG 4.25Å; I1035-L1048 HydrophobicContact CD1-CD2 3.67Å; I1046-L1048 HydrophobicContact CD1-CD1 3.74Å; I1046-L1048 HydrophobicContact CG1-CD1 3.95Å; L1048-I1050 HydrophobicContact CB-CD1 3.81Å; L1048-I1050 HydrophobicContact CB-CG1 4.38Å; L1048-I1050 HydrophobicContact CD2-CD1 4.2Å; L1048-R1110 CarbonylContact O-C 3.53Å; L1048-R1110 WeakPolarHBondContact O-CA 3.3Å; L1048-I1111 HydrophobicContact CB-CB 4.25Å; L1048-I1111 PolarHBondContact N-O 2.76Å; L1048-I1111 PolarHBondContact O-N 3.27Å; L1048-T1113 HydrophobicContact CD1-CG2 3.72Å; L1048-F1120 HydrophobicContact CD2-CE2 4.33Å
1049E88.8Confident83.4Confident0 Ų041.6 Ų41.60%024%0.236CC..EExtended strand (participates in β ladder)trans-111.4119.2168.6-85.8177-170.300108.3L991 R992 F994 L1047 L1103 I1108 H1109 R1110L991-E1049 CarbonylContact C-O 3.58Å; L991-E1049 WeakPolarHBondContact CA-O 3.42Å; R992-E1049 HydrophobicContact CB-CB 4.19Å; R992-E1049 IonicContact CZ-OE2 2.73Å; R992-E1049 VanDerWaalsContact CZ-OE2 3.22Å; R992-E1049 PolarHBondContact N-O 2.62Å; R992-E1049 IonicContact NE-OE2 3.78Å; R992-E1049 PolarHBondContact NE-OE2 2.89Å; R992-E1049 IonicContact NH2-OE2 3.88Å; R992-E1049 PolarHBondContact NH2-OE2 2.93Å; R992-E1049 PolarHBondContact O-N 3.26Å; R992-E1049 VanDerWaalsContact O-O 3.14Å; F994-E1049 HydrophobicContact CE2-CB 4.38Å; F994-E1049 VanDerWaalsContact CE2-CD 3.49Å; F994-E1049 HydrophobicContact CE2-CG 4.18Å; F994-E1049 WeakPolarHBondContact CE2-OE2 3.18Å; L1047-E1049 HydrophobicContact CG-CG 4.45Å; E1049-L1103 HydrophobicContact CG-CD1 4.11Å; E1049-L1103 WeakPolarHBondContact OE1-CD1 3.45Å; E1049-I1108 HydrophobicContact CB-CG2 3.78Å; E1049-I1108 HydrophobicContact CG-CG2 4.11Å; E1049-H1109 WeakPolarHBondContact CA-O 3.2Å; E1049-R1110 HydrophobicContact CG-CG 3.86Å; E1049-R1110 IonicContact OE1-CZ 3.12Å; E1049-R1110 VanDerWaalsContact OE1-CZ 3.27Å; E1049-R1110 IonicContact OE1-NE 2.8Å; E1049-R1110 PolarHBondContact OE1-NE 2.86Å; E1049-R1110 IonicContact OE1-NH2 4Å; E1049-R1110 PolarHBondContact OE1-NH2 2.73Å
1050I87.8Confident83.6Confident5 Ų541.7 Ų41.73%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-127.9122.2-169.2-71.5146.6000108.4L991 L1033 L1048 H1109 I1111 L1122L991-I1050 HydrophobicContact CD1-CG1 4.13Å; L991-I1050 HydrophobicContact CG-CG1 4.38Å; L1033-I1050 HydrophobicContact CD1-CD1 3.53Å; L1033-I1050 HydrophobicContact CD1-CG1 4Å; L1033-I1050 HydrophobicContact CD1-CG2 4.05Å; L1048-I1050 HydrophobicContact CB-CD1 3.81Å; L1048-I1050 HydrophobicContact CB-CG1 4.38Å; L1048-I1050 HydrophobicContact CD2-CD1 4.2Å; I1050-H1109 PolarHBondContact N-O 2.99Å; I1050-H1109 PolarHBondContact O-N 2.88Å; I1050-I1111 HydrophobicContact CD1-CD1 3.5Å; I1050-I1111 VanDerWaalsContact CD1-CD1 3.5Å; I1050-I1111 HydrophobicContact CD1-CG1 4.04Å; I1050-L1122 HydrophobicContact CB-CD2 4.24Å; I1050-L1122 HydrophobicContact CD1-CD1 4.35Å; I1050-L1122 HydrophobicContact CG2-CD1 4.25Å; I1050-L1122 HydrophobicContact CG2-CD2 3.71Å
1051P86.9Confident83.9Confident10 Ų1040.5 Ų40.57%0.06522%0.218CC..EExtended strand (participates in β ladder)trans-63.4138.4172.727.6-35.4000110.8Y988 L991 S1107Y988-P1051 HydrophobicContact CD1-CG 3.66Å; Y988-P1051 HydrophobicContact CE1-CG 3.72Å; L991-P1051 HydrophobicContact CB-CG 4.31Å; P1051-S1107 CarbonylContact C-O 3.48Å; P1051-S1107 WeakPolarHBondContact CA-O 3.44Å
1052H88.4Confident84.1Confident7 Ų735.2 Ų35.23%0.03220%0.2CC..  trans-122.6149.317972.872.1000110.6A1029 A1054 I1063 S1107A1029-H1052 HydrophobicContact CB-CB 4.2Å; H1052-A1054 PolarHBondContact CE1-O 3.42Å; H1052-A1054 PolarHBondContact ND1-O 2.86Å; H1052-I1063 HydrophobicContact CB-CD1 3.71Å; H1052-I1063 VanDerWaalsContact CD2-CD1 3.48Å; H1052-I1063 WeakPolarHBondContact CD2-CD1 3.49Å; H1052-S1107 PolarHBondContact CD2-O 2.82Å; H1052-S1107 PolarHBondContact N-O 3.35Å; H1052-S1107 WeakPolarHBondContact O-CB 3.49Å
1053Y88.8Confident84.4Confident36 Ų3635.6 Ų35.614%0.14120%0.202CC..  trans-112.8-0.4-176.1-57.9-83.6000112.5Y988 A1029 Y1301 I1302 T1325 D1326 F1381Y988-Y1053 AromaticContact CE1-CE2 3.99Å; Y988-Y1053 HydrophobicContact CE1-CE2 3.99Å; Y988-Y1053 WeakPolarHBondContact CE1-OH 3.48Å; Y988-Y1053 VanDerWaalsContact OH-CE2 3.25Å; Y988-Y1053 WeakPolarHBondContact OH-CE2 3.42Å; Y988-Y1053 PolarHBondContact OH-OH 3.13Å; A1029-Y1053 PolarHBondContact O-N 3.01Å; Y1053-Y1301 CarbonylContact O-C 3.58Å; Y1053-Y1301 WeakPolarHBondContact O-CA 3.47Å; Y1053-I1302 PolarHBondContact O-N 3.46Å; Y1053-T1325 WeakPolarHBondContact CB-O 3.04Å; Y1053-T1325 WeakPolarHBondContact CD1-O 3.39Å; Y1053-D1326 HydrophobicContact CD2-CB 4.12Å; Y1053-D1326 HydrophobicContact CE2-CB 4.05Å; Y1053-D1326 HydrophobicContact CG-CB 4.42Å; Y1053-D1326 PolarHBondContact OH-O 3.21Å; Y1053-F1381 HydrophobicContact CD2-CE1 4.08Å; Y1053-F1381 HydrophobicContact CG-CE1 4.47Å
1054A86.9Confident84.8Confident1 Ų132.8 Ų32.81%0.00818%0.177CC..BIsolated β-bridgetrans-64.9133.5168.800000111.6A1029 H1052 L1056 I1063 T1124A1029-A1054 HydrophobicContact CB-CB 3.95Å; H1052-A1054 PolarHBondContact CE1-O 3.42Å; H1052-A1054 PolarHBondContact ND1-O 2.86Å; A1054-L1056 HydrophobicContact CB-CD2 4.13Å; A1054-L1056 PolarHBondContact O-N 2.9Å; A1054-I1063 HydrophobicContact CB-CD1 4.41Å; A1054-T1124 HydrophobicContact CB-CG2 3.57Å
1055F87.9Confident85.3Confident51 Ų5131.5 Ų31.522%0.22417%0.167CC..  trans-88.5105.2180-174.5-104.4000110.5N1057 P1300 I1302 E1349F1055-N1057 HydrophobicContact CD1-CB 4.28Å; F1055-N1057 HydrophobicContact CE1-CB 3.82Å; F1055-N1057 WeakPolarHBondContact CE2-ND2 3.37Å; F1055-N1057 HydrophobicContact CZ-CB 4.08Å; F1055-N1057 WeakPolarHBondContact CZ-ND2 3.29Å; F1055-P1300 HydrophobicContact CB-CB 4Å; F1055-P1300 HydrophobicContact CB-CG 4.31Å; F1055-P1300 WeakPolarHBondContact CB-O 3.22Å; F1055-P1300 HydrophobicContact CD1-CB 4.2Å; F1055-P1300 PolarHBondContact N-O 2.76Å; F1055-I1302 HydrophobicContact CB-CG1 4.43Å; F1055-I1302 HydrophobicContact CD2-CG1 4.23Å; F1055-E1349 HydrophobicContact CD1-CB 4.17Å; F1055-E1349 HydrophobicContact CD1-CG 3.98Å; F1055-E1349 HydrophobicContact CD2-CB 4.33Å; F1055-E1349 HydrophobicContact CE1-CB 3.84Å; F1055-E1349 HydrophobicContact CE1-CG 3.89Å; F1055-E1349 WeakPolarHBondContact CE1-OE1 3.34Å; F1055-E1349 HydrophobicContact CE2-CB 4.01Å; F1055-E1349 HydrophobicContact CG-CB 4.4Å; F1055-E1349 HydrophobicContact CG-CG 4.48Å; F1055-E1349 HydrophobicContact CZ-CB 3.75Å; F1055-E1349 HydrophobicContact CZ-CG 4.33Å
1056L82.2Confident85.5Confident51 Ų5132.4 Ų32.427%0.26717%0.171SC..  trans-96.615.8-168.4-56.7-177.5000115.3A1054 R1061 I1063A1054-L1056 HydrophobicContact CB-CD2 4.13Å; A1054-L1056 PolarHBondContact O-N 2.9Å; L1056-R1061 HydrophobicContact CD2-CB 4.21Å; L1056-I1063 HydrophobicContact CD1-CD1 3.84Å; L1056-I1063 HydrophobicContact CD1-CG1 4.04Å; L1056-I1063 HydrophobicContact CD2-CD1 4.36Å; L1056-I1063 HydrophobicContact CD2-CG1 4.01Å; L1056-I1063 HydrophobicContact CG-CD1 4.5Å
1057N70.9Confident85.7Confident115 Ų11533.9 Ų33.962%0.61518%0.177SC*.G310 helixtrans-62.7144.8-175.2-87.2-45.6000113.1F1055F1055-N1057 HydrophobicContact CD1-CB 4.28Å; F1055-N1057 HydrophobicContact CE1-CB 3.82Å; F1055-N1057 WeakPolarHBondContact CE2-ND2 3.37Å; F1055-N1057 HydrophobicContact CZ-CB 4.08Å; F1055-N1057 WeakPolarHBondContact CZ-ND2 3.29Å
1058G67.6Low85.8Confident56 Ų5633.9 Ų33.958%0.57718%0.177SC*.G310 helixtrans84.52.1175.500000116.9N1060G1058-N1060 PolarHBondContact O-N 2.84Å; G1058-N1060 PolarHBondContact O-OD1 3.15Å
1059K73.1Confident85.6Confident156 Ų15635 Ų3568%0.67818%0.183SC*.G310 helixtrans66.46.9-175.1-50.8-179.8179-179.80115.4
1060N82.4Confident85.2Confident50 Ų5035.7 Ų35.727%0.26719%0.186SC..  trans-72.8-27.8-174.9-60.6-21.3000113.8G1058 K1127 V1144 P1169G1058-N1060 PolarHBondContact O-N 2.84Å; G1058-N1060 PolarHBondContact O-OD1 3.15Å; N1060-K1127 PolarHBondContact O-N 2.86Å; N1060-V1144 WeakPolarHBondContact OD1-CG1 3.36Å; N1060-P1169 HydrophobicContact CB-CG 4.36Å; N1060-P1169 VanDerWaalsContact CG-CG 3.48Å; N1060-P1169 VanDerWaalsContact OD1-CG 3.23Å; N1060-P1169 WeakPolarHBondContact OD1-CG 3.44Å
1061R89.3Confident84.7Confident24 Ų2436.1 Ų36.19%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-121.5152.5-177-63.2-174.970.792.44.7110.8G1025 L1056 T1124 R1125G1025-R1061 PolarHBondContact O-NH1 2.89Å; G1025-R1061 PolarHBondContact O-NH2 2.89Å; L1056-R1061 HydrophobicContact CD2-CB 4.21Å; R1061-T1124 PolarHBondContact NE-OG1 2.63Å; R1061-T1124 VanDerWaalsContact NH2-C 3.33Å; R1061-T1124 PolarHBondContact NH2-O 3.46Å; R1061-T1124 PolarHBondContact NH2-OG1 2.87Å; R1061-R1125 CarbonylContact C-O 3.59Å; R1061-R1125 VanDerWaalsContact CA-O 3.23Å; R1061-R1125 WeakPolarHBondContact CA-O 3.36Å; R1061-R1125 WeakPolarHBondContact CB-O 3.38Å
1062E87.7Confident84.3Confident36 Ų3638.6 Ų38.617%0.16820%0.203CC..EExtended strand (participates in β ladder)trans-121.8167.1172.865.2-170.2-147.800110.5V1064 T1124 R1125 K1127 Q1128E1062-V1064 HydrophobicContact CG-CG2 4.12Å; E1062-T1124 VanDerWaalsContact O-CA 3.26Å; E1062-T1124 WeakPolarHBondContact O-CA 3.43Å; E1062-T1124 PolarHBondContact O-OG1 2.92Å; E1062-R1125 HydrophobicContact CG-CG 3.71Å; E1062-R1125 PolarHBondContact N-O 3.25Å; E1062-R1125 PolarHBondContact O-N 3Å; E1062-R1125 IonicContact OE1-CZ 2.81Å; E1062-R1125 IonicContact OE1-NE 2.66Å; E1062-R1125 PolarHBondContact OE1-NE 2.91Å; E1062-R1125 IonicContact OE1-NH2 2.71Å; E1062-R1125 PolarHBondContact OE1-NH2 2.81Å; E1062-K1127 HydrophobicContact CB-CG 4.35Å; E1062-K1127 VanDerWaalsContact OE2-CA 3.3Å; E1062-K1127 WeakPolarHBondContact OE2-CA 3.41Å; E1062-K1127 WeakPolarHBondContact OE2-CG 3.3Å; E1062-Q1128 PolarHBondContact OE2-N 2.95Å
1063I89.7Confident84Confident21 Ų2140 Ų4011%0.10821%0.212CC..EExtended strand (participates in β ladder)trans-111.1138.5166.8-66.8179.7000107.9A1029 H1052 A1054 L1056 L1122 I1123A1029-I1063 HydrophobicContact CB-CD1 4.08Å; A1029-I1063 HydrophobicContact CB-CG1 4.37Å; H1052-I1063 HydrophobicContact CB-CD1 3.71Å; H1052-I1063 VanDerWaalsContact CD2-CD1 3.48Å; H1052-I1063 WeakPolarHBondContact CD2-CD1 3.49Å; A1054-I1063 HydrophobicContact CB-CD1 4.41Å; L1056-I1063 HydrophobicContact CD1-CD1 3.84Å; L1056-I1063 HydrophobicContact CD1-CG1 4.04Å; L1056-I1063 HydrophobicContact CD2-CD1 4.36Å; L1056-I1063 HydrophobicContact CD2-CG1 4.01Å; L1056-I1063 HydrophobicContact CG-CD1 4.5Å; I1063-L1122 HydrophobicContact CG2-CB 4.14Å; I1063-L1122 HydrophobicContact CG2-CD2 4.41Å; I1063-L1122 HydrophobicContact CG2-CG 4.39Å; I1063-I1123 CarbonylContact C-O 3.56Å; I1063-I1123 WeakPolarHBondContact CA-O 3.45Å
1064V89.6Confident83.9Confident13 Ų1340.3 Ų40.38%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-128.3142.9-176.9-177.60000107.9E1062 L1066 E1076 L1122 I1123 R1125E1062-V1064 HydrophobicContact CG-CG2 4.12Å; V1064-L1066 HydrophobicContact CG1-CD2 4.44Å; V1064-E1076 HydrophobicContact CG1-CG 3.91Å; V1064-E1076 WeakPolarHBondContact CG1-OE1 3.49Å; V1064-L1122 CarbonylContact O-C 3.57Å; V1064-L1122 WeakPolarHBondContact O-CA 3.13Å; V1064-I1123 PolarHBondContact N-O 3.33Å; V1064-I1123 PolarHBondContact O-N 2.9Å; V1064-R1125 HydrophobicContact CG2-CG 3.73Å
1065I91.9Very high83.9Confident18 Ų1844.2 Ų44.29%0.09223%0.23CC..EExtended strand (participates in β ladder)trans-104.1117.9178.4-59138.1000107.8H1077 I1111 F1120I1065-H1077 HydrophobicContact CB-CB 3.95Å; I1065-H1077 HydrophobicContact CG2-CB 3.68Å; I1065-H1077 WeakPolarHBondContact O-CB 3.26Å; I1065-H1077 PolarHBondContact O-N 3.32Å; I1065-I1111 HydrophobicContact CD1-CB 4.29Å; I1065-I1111 HydrophobicContact CD1-CD1 4.31Å; I1065-I1111 HydrophobicContact CD1-CG1 3.73Å; I1065-I1111 HydrophobicContact CD1-CG2 4.21Å; I1065-I1111 HydrophobicContact CG1-CD1 3.97Å; I1065-I1111 HydrophobicContact CG1-CG1 3.93Å; I1065-I1111 HydrophobicContact CG2-CD1 3.91Å; I1065-I1111 HydrophobicContact CG2-CG2 4.37Å; I1065-F1120 HydrophobicContact CG2-CD1 3.54Å; I1065-F1120 HydrophobicContact CG2-CE1 3.95Å
1066L90.7Very high83.8Confident25 Ų2545.3 Ų45.313%0.13124%0.236CC..EExtended strand (participates in β ladder)trans-95.5144.3160.2-55.9-168.5000109.4P1020 V1064 W1074 K1075 E1076 F1120 A1121 I1123P1020-L1066 HydrophobicContact CB-CD1 4.2Å; V1064-L1066 HydrophobicContact CG1-CD2 4.44Å; L1066-W1074 HydrophobicContact CB-CE3 4.02Å; L1066-W1074 HydrophobicContact CD1-CB 4.21Å; L1066-K1075 CarbonylContact C-O 3.59Å; L1066-K1075 WeakPolarHBondContact CA-O 3.41Å; L1066-E1076 HydrophobicContact CD2-CB 4.06Å; L1066-E1076 HydrophobicContact CD2-CG 4.42Å; L1066-F1120 WeakPolarHBondContact O-CA 3.4Å; L1066-A1121 HydrophobicContact CB-CB 4.43Å; L1066-A1121 PolarHBondContact N-O 2.79Å; L1066-A1121 PolarHBondContact O-N 3.29Å; L1066-I1123 HydrophobicContact CD1-CD1 3.48Å; L1066-I1123 VanDerWaalsContact CD1-CD1 3.48Å; L1066-I1123 HydrophobicContact CG-CD1 3.78Å
1067R91.5Very high84.1Confident33 Ų3343.9 Ų43.913%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-117.7148.617057.6-179.9-73.6165-5.5111.1D1069 W1074 K1075 H1077 D1115 P1117 Y1119 F1120R1067-D1069 IonicContact CZ-OD1 3.04Å; R1067-D1069 VanDerWaalsContact CZ-OD1 3.3Å; R1067-D1069 IonicContact NE-OD1 2.73Å; R1067-D1069 PolarHBondContact NE-OD1 2.81Å; R1067-D1069 IonicContact NH2-OD1 3.4Å; R1067-D1069 PolarHBondContact NH2-OD1 3.48Å; R1067-W1074 WeakPolarHBondContact O-CA 3.49Å; R1067-K1075 PolarHBondContact N-O 3.06Å; R1067-K1075 PolarHBondContact O-N 2.83Å; R1067-H1077 WeakPolarHBondContact CD-ND1 3.48Å; R1067-H1077 HydrophobicContact CG-CB 4.42Å; R1067-D1115 IonicContact CZ-OD1 2.7Å; R1067-D1115 IonicContact CZ-OD2 3.54Å; R1067-D1115 IonicContact NH1-OD1 3.6Å; R1067-D1115 PolarHBondContact NH1-OD1 2.83Å; R1067-D1115 IonicContact NH1-OD2 3.58Å; R1067-D1115 PolarHBondContact NH1-OD2 2.65Å; R1067-D1115 IonicContact NH2-OD1 2.74Å; R1067-D1115 IonicContact NH2-OD2 3.5Å; R1067-D1115 PolarHBondContact NH2-OD2 2.81Å; R1067-P1117 HydrophobicContact CB-CB 3.96Å; R1067-P1117 HydrophobicContact CB-CG 3.81Å; R1067-Y1119 CarbonylContact C-O 3.55Å; R1067-Y1119 WeakPolarHBondContact CA-O 3.47Å; R1067-F1120 HydrophobicContact CB-CD1 3.99Å; R1067-F1120 HydrophobicContact CB-CE1 4.02Å
1068S89.9Confident84.6Confident0 Ų044.6 Ų44.60%023%0.231CC..EExtended strand (participates in β ladder)trans-130.6118.8168-172.10000109.8N1070 G1071 T1073 Q1118 Y1119S1068-N1070 VanDerWaalsContact C-N 3.32Å; S1068-G1071 VanDerWaalsContact OG-CA 3.26Å; S1068-G1071 WeakPolarHBondContact OG-CA 3.16Å; S1068-G1071 PolarHBondContact OG-N 3.32Å; S1068-T1073 VanDerWaalsContact CA-O 3.3Å; S1068-T1073 WeakPolarHBondContact CA-O 3.4Å; S1068-T1073 WeakPolarHBondContact CB-O 3.44Å; S1068-T1073 PolarHBondContact OG-O 3.14Å; S1068-Q1118 PolarHBondContact O-N 3.03Å; S1068-Q1118 VanDerWaalsContact O-N 3.14Å; S1068-Y1119 PolarHBondContact N-O 2.9Å; S1068-Y1119 PolarHBondContact O-N 2.79Å
1069D85.1Confident85.3Confident28 Ų2844.4 Ų44.415%0.1522%0.216CC..SBendtrans-76.5-25.8-174.3-42-65000111.2R1067 K1075 Q1118R1067-D1069 IonicContact CZ-OD1 3.04Å; R1067-D1069 VanDerWaalsContact CZ-OD1 3.3Å; R1067-D1069 IonicContact NE-OD1 2.73Å; R1067-D1069 PolarHBondContact NE-OD1 2.81Å; R1067-D1069 IonicContact NH2-OD1 3.4Å; R1067-D1069 PolarHBondContact NH2-OD1 3.48Å; D1069-K1075 IonicContact OD2-NZ 2.94Å; D1069-K1075 PolarHBondContact OD2-NZ 2.81Å; D1069-Q1118 WeakPolarHBondContact O-CB 3.34Å
1070N81.6Confident85.4Confident13 Ų1343.3 Ų43.37%0.0722%0.218CC..SBendtrans-134.93.8-17163.23.5000115.1S1068 E1072 T1073 Q1118 E1816 D1820S1068-N1070 VanDerWaalsContact C-N 3.32Å; N1070-E1072 VanDerWaalsContact C-N 3.25Å; N1070-E1072 PolarHBondContact O-N 2.88Å; N1070-E1072 PolarHBondContact OD1-N 2.94Å; N1070-T1073 PolarHBondContact OD1-N 3.16Å; N1070-Q1118 PolarHBondContact O-OE1 2.84Å; N1070-E1816 HydrophobicContact CB-CB 4.23Å; N1070-E1816 PolarHBondContact ND2-O 2.9Å; N1070-D1820 PolarHBondContact ND2-OD2 3.02Å
1071G76.9Confident85.4Confident14 Ų1441.8 Ų41.814%0.14421%0.212CC..SBendtrans73.62.1-175.100000116S1018 S1068S1018-G1071 WeakPolarHBondContact CB-O 3.37Å; S1068-G1071 VanDerWaalsContact OG-CA 3.26Å; S1068-G1071 WeakPolarHBondContact OG-CA 3.16Å; S1068-G1071 PolarHBondContact OG-N 3.32Å
1072E79.1Confident85Confident62 Ų6243.9 Ų43.929%0.2923%0.228SC..SBendtrans-110.9-34.1-176.7-72.6-180-157.600113.7N1070 K1817 N1821N1070-E1072 VanDerWaalsContact C-N 3.25Å; N1070-E1072 PolarHBondContact O-N 2.88Å; N1070-E1072 PolarHBondContact OD1-N 2.94Å; E1072-K1817 WeakPolarHBondContact OE1-CD 3.37Å; E1072-K1817 VanDerWaalsContact OE1-CE 3.32Å; E1072-K1817 WeakPolarHBondContact OE1-CE 3.38Å; E1072-K1817 IonicContact OE1-NZ 3.2Å; E1072-K1817 PolarHBondContact OE1-NZ 3.24Å; E1072-N1821 PolarHBondContact OE2-ND2 3.17Å
1073T81Confident84.8Confident38 Ų3845 Ų4523%0.23323%0.234CC..  trans-122.5145.4168.463.30000114.1S1068 N1070 K1075 D1820S1068-T1073 VanDerWaalsContact CA-O 3.3Å; S1068-T1073 WeakPolarHBondContact CA-O 3.4Å; S1068-T1073 WeakPolarHBondContact CB-O 3.44Å; S1068-T1073 PolarHBondContact OG-O 3.14Å; N1070-T1073 PolarHBondContact OD1-N 3.16Å; T1073-K1075 PolarHBondContact OG1-NZ 3.41Å; T1073-D1820 VanDerWaalsContact CB-OD2 3.32Å; T1073-D1820 WeakPolarHBondContact CB-OD2 3.46Å; T1073-D1820 HydrophobicContact CG2-CB 3.6Å; T1073-D1820 WeakPolarHBondContact CG2-OD2 3.29Å; T1073-D1820 PolarHBondContact OG1-OD1 2.68Å; T1073-D1820 PolarHBondContact OG1-OD2 3.36Å
1074W85.9Confident84.4Confident42 Ų4249.4 Ų49.416%0.15926%0.255CS..  trans-111.6134.7179.6-63.785.5000110.3M1016 S1018 P1020 L1066 R1067 Y1119 A1121M1016-W1074 HydrophobicContact CE-CH2 4.13Å; M1016-W1074 HydrophobicContact CE-CZ2 3.53Å; M1016-W1074 HydrophobicContact SD-CZ2 4.33Å; S1018-W1074 PolarHBondContact O-NE1 2.72Å; P1020-W1074 HydrophobicContact CB-CD2 3.76Å; P1020-W1074 HydrophobicContact CB-CE3 4.03Å; P1020-W1074 HydrophobicContact CB-CG 4.02Å; P1020-W1074 HydrophobicContact CG-CD2 4.49Å; L1066-W1074 HydrophobicContact CB-CE3 4.02Å; L1066-W1074 HydrophobicContact CD1-CB 4.21Å; R1067-W1074 WeakPolarHBondContact O-CA 3.49Å; W1074-Y1119 VanDerWaalsContact CH2-CB 3.45Å; W1074-Y1119 HydrophobicContact CH2-CG 4.11Å; W1074-A1121 HydrophobicContact CE3-CB 4.16Å; W1074-A1121 HydrophobicContact CH2-CB 4.32Å; W1074-A1121 HydrophobicContact CZ3-CB 3.59Å
1075K87.2Confident84Confident82 Ų8250 Ų5036%0.35726%0.262SS..EExtended strand (participates in β ladder)trans-135.9141.1-175.2-50.8179.5-169.376.90109.3L1066 R1067 D1069 T1073 H1077L1066-K1075 CarbonylContact C-O 3.59Å; L1066-K1075 WeakPolarHBondContact CA-O 3.41Å; R1067-K1075 PolarHBondContact N-O 3.06Å; R1067-K1075 PolarHBondContact O-N 2.83Å; D1069-K1075 IonicContact OD2-NZ 2.94Å; D1069-K1075 PolarHBondContact OD2-NZ 2.81Å; T1073-K1075 PolarHBondContact OG1-NZ 3.41Å; K1075-H1077 PolarHBondContact O-N 3.19Å
1076E86.1Confident83.5Confident75 Ų7549.4 Ų49.435%0.3526%0.258SS..EExtended strand (participates in β ladder)trans-67128.3176.2-165.7171.6-133.600109.6V1064 L1066 R1125V1064-E1076 HydrophobicContact CG1-CG 3.91Å; V1064-E1076 WeakPolarHBondContact CG1-OE1 3.49Å; L1066-E1076 HydrophobicContact CD2-CB 4.06Å; L1066-E1076 HydrophobicContact CD2-CG 4.42Å; E1076-R1125 IonicContact OE1-CZ 3.97Å; E1076-R1125 IonicContact OE1-NH1 3.7Å; E1076-R1125 PolarHBondContact OE1-NH1 2.95Å; E1076-R1125 IonicContact OE1-NH2 3Å; E1076-R1125 PolarHBondContact OE1-NH2 3.25Å; E1076-R1125 VanDerWaalsContact OE1-NH2 3.13Å
1077H88.5Confident83.1Confident20 Ų2054.5 Ų54.59%0.09328%0.281CS..  trans-78.7126.8-176.5-176.166.7000110.3I1065 R1067 K1075 L1112 T1113I1065-H1077 HydrophobicContact CB-CB 3.95Å; I1065-H1077 HydrophobicContact CG2-CB 3.68Å; I1065-H1077 WeakPolarHBondContact O-CB 3.26Å; I1065-H1077 PolarHBondContact O-N 3.32Å; R1067-H1077 WeakPolarHBondContact CD-ND1 3.48Å; R1067-H1077 HydrophobicContact CG-CB 4.42Å; K1075-H1077 PolarHBondContact O-N 3.19Å; H1077-L1112 PolarHBondContact NE2-O 2.9Å; H1077-T1113 PolarHBondContact CE1-OG1 3.24Å
1078L81.6Confident82.6Confident131 Ų13157.8 Ų57.869%0.68630%0.302SS*.  trans-96.813.8-161.1-59.8178000115.1
1079L82.5Confident82Confident52 Ų5258.5 Ų58.527%0.27231%0.306SS..  trans-111.3105.7-176.1-79.3156.3000111.4A1081 L1112 Y1114L1079-A1081 PolarHBondContact O-N 3.31Å; L1079-L1112 VanDerWaalsContact CB-O 3.26Å; L1079-L1112 WeakPolarHBondContact CB-O 3.28Å; L1079-Y1114 HydrophobicContact CD1-CD2 3.63Å; L1079-Y1114 HydrophobicContact CD1-CE2 4.06Å; L1079-Y1114 HydrophobicContact CD2-CD2 4.28Å; L1079-Y1114 HydrophobicContact CD2-CE2 3.82Å
1080D75.6Confident81.8Confident133 Ų13357.5 Ų57.571%0.71130%0.301SS*.  trans-74.2110.9179.3-67.4-42.4000111.4T1082D1080-T1082 HydrophobicContact CB-CG2 4.14Å; D1080-T1082 PolarHBondContact O-N 2.89Å
1081A81Confident81.3Confident17 Ų1762.6 Ų62.614%0.1433%0.328CS..  trans-75.956.7176.200000113L1079 V1086 R1110 L1112L1079-A1081 PolarHBondContact O-N 3.31Å; A1081-V1086 HydrophobicContact CB-CG2 4.48Å; A1081-R1110 HydrophobicContact CB-CB 3.58Å; A1081-L1112 HydrophobicContact CB-CB 4.38Å; A1081-L1112 HydrophobicContact CB-CD1 4.33Å; A1081-L1112 HydrophobicContact CB-CG 3.88Å
1082T81.7Confident80.8Confident69 Ų6963.9 Ų63.942%0.42334%0.341SS..  trans-67.1151.1173.267.30000111D1080 Q1084 A1085 V1086D1080-T1082 HydrophobicContact CB-CG2 4.14Å; D1080-T1082 PolarHBondContact O-N 2.89Å; T1082-Q1084 PolarHBondContact O-N 2.9Å; T1082-A1085 PolarHBondContact O-N 2.8Å; T1082-A1085 VanDerWaalsContact OG1-CB 3.28Å; T1082-A1085 WeakPolarHBondContact OG1-CB 3.39Å; T1082-A1085 PolarHBondContact OG1-N 2.81Å; T1082-A1085 VanDerWaalsContact OG1-N 3.15Å; T1082-V1086 WeakPolarHBondContact O-CG2 3.4Å; T1082-V1086 PolarHBondContact O-N 3.47Å
1083D82.6Confident80.2Confident58 Ų5865.1 Ų65.131%0.3135%0.347SS..Hα-helixtrans-59.7-31.9179.9-74.4-34.9000112.8Q1087 L1100 R1110D1083-Q1087 VanDerWaalsContact O-CB 3.27Å; D1083-Q1087 WeakPolarHBondContact O-CB 3.11Å; D1083-Q1087 PolarHBondContact O-N 2.9Å; D1083-L1100 PolarHBondContact OD1-N 2.93Å; D1083-L1100 VanDerWaalsContact OD1-N 3.09Å; D1083-L1100 WeakPolarHBondContact OD2-CB 3.46Å; D1083-L1100 PolarHBondContact OD2-N 3.45Å; D1083-R1110 IonicContact OD1-NH1 2.65Å; D1083-R1110 PolarHBondContact OD1-NH1 3.1Å
1084Q81.8Confident79.6Confident114 Ų11465.1 Ų65.153%0.53334%0.343SS..Hα-helixtrans-66-50.9171.4-173.266.659.700111.4T1082 V1086 Q1087 D1088T1082-Q1084 PolarHBondContact O-N 2.9Å; Q1084-V1086 PolarHBondContact O-N 3.06Å; Q1084-Q1087 PolarHBondContact O-N 2.79Å; Q1084-D1088 PolarHBondContact NE2-OD1 3.13Å; Q1084-D1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-D1088 PolarHBondContact O-N 3.24Å
1085A82.4Confident78.3Confident27 Ų2766.2 Ų66.222%0.22335%0.352CS..Hα-helixtrans-62.4-32178.500000112.5T1082 T1089 L1112T1082-A1085 PolarHBondContact O-N 2.8Å; T1082-A1085 VanDerWaalsContact OG1-CB 3.28Å; T1082-A1085 WeakPolarHBondContact OG1-CB 3.39Å; T1082-A1085 PolarHBondContact OG1-N 2.81Å; T1082-A1085 VanDerWaalsContact OG1-N 3.15Å; A1085-T1089 WeakPolarHBondContact O-CB 3.38Å; A1085-T1089 PolarHBondContact O-N 2.97Å; A1085-T1089 PolarHBondContact O-OG1 3.02Å; A1085-L1112 HydrophobicContact CB-CD1 3.8Å
1086V81.2Confident77Confident4 Ų469.5 Ų69.52%0.02436%0.364CS..Hα-helixtrans-68.3-45.5171.6169.70000110.7L1047 A1081 T1082 Q1084 D1088 T1089 L1090 A1097 L1112L1047-V1086 HydrophobicContact CD1-CG2 4.37Å; L1047-V1086 HydrophobicContact CD2-CG1 3.92Å; A1081-V1086 HydrophobicContact CB-CG2 4.48Å; T1082-V1086 WeakPolarHBondContact O-CG2 3.4Å; T1082-V1086 PolarHBondContact O-N 3.47Å; Q1084-V1086 PolarHBondContact O-N 3.06Å; V1086-D1088 PolarHBondContact O-N 3.03Å; V1086-T1089 PolarHBondContact O-N 3.19Å; V1086-L1090 HydrophobicContact CG1-CD1 3.77Å; V1086-L1090 HydrophobicContact CG1-CG 4.17Å; V1086-L1090 WeakPolarHBondContact O-CB 3.46Å; V1086-L1090 VanDerWaalsContact O-CG 3.28Å; V1086-L1090 WeakPolarHBondContact O-CG 3.48Å; V1086-L1090 PolarHBondContact O-N 3.26Å; V1086-A1097 HydrophobicContact CG1-CB 4.36Å; V1086-L1112 HydrophobicContact CG2-CD1 4.15Å; V1086-L1112 HydrophobicContact CG2-CD2 4.24Å; V1086-L1112 HydrophobicContact CG2-CG 4.27Å
1087Q82.5Confident75.9Confident132 Ų13267.5 Ų67.562%0.61736%0.36SS*.Hα-helixtrans-62.6-41.4176.9-174170.11.800111.9D1083 Q1084 D1091D1083-Q1087 VanDerWaalsContact O-CB 3.27Å; D1083-Q1087 WeakPolarHBondContact O-CB 3.11Å; D1083-Q1087 PolarHBondContact O-N 2.9Å; Q1084-Q1087 PolarHBondContact O-N 2.79Å; Q1087-D1091 WeakPolarHBondContact O-CA 3.41Å; Q1087-D1091 PolarHBondContact O-N 3.43Å
1088D80.5Confident74.9Confident103 Ų10366.7 Ų66.755%0.55136%0.357SS*.Hα-helixtrans-68.1-35.4175.8-59.8-19.7000111.9Q1084 V1086Q1084-D1088 PolarHBondContact NE2-OD1 3.13Å; Q1084-D1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-D1088 PolarHBondContact O-N 3.24Å; V1086-D1088 PolarHBondContact O-N 3.03Å
1089T77.9Confident74.5Confident15 Ų1562.3 Ų62.39%0.09234%0.337CS..Hα-helixtrans-74.5-43.6178.6-66.40000112.4P996 P1045 A1085 V1086 L1112P996-T1089 HydrophobicContact CG-CG2 4.11Å; P1045-T1089 HydrophobicContact CB-CG2 3.91Å; P1045-T1089 HydrophobicContact CG-CG2 4.03Å; P1045-T1089 WeakPolarHBondContact O-CG2 3.26Å; A1085-T1089 WeakPolarHBondContact O-CB 3.38Å; A1085-T1089 PolarHBondContact O-N 2.97Å; A1085-T1089 PolarHBondContact O-OG1 3.02Å; V1086-T1089 PolarHBondContact O-N 3.19Å; T1089-L1112 HydrophobicContact CG2-CD2 4.01Å
1090L79.2Confident74.2Confident7 Ų761.8 Ų61.84%0.03733%0.334CS..Hα-helixtrans-79.8-22.8-179.2-60.7-175.9000111.4F994 P996 L1047 V1086 G1092 H1093 F1094 A1097F994-L1090 HydrophobicContact CB-CD2 4.12Å; P996-L1090 HydrophobicContact CG-CD2 4.11Å; L1047-L1090 HydrophobicContact CB-CD2 4.41Å; L1047-L1090 HydrophobicContact CD2-CD1 4.08Å; L1047-L1090 HydrophobicContact CD2-CD2 4.43Å; V1086-L1090 HydrophobicContact CG1-CD1 3.77Å; V1086-L1090 HydrophobicContact CG1-CG 4.17Å; V1086-L1090 WeakPolarHBondContact O-CB 3.46Å; V1086-L1090 VanDerWaalsContact O-CG 3.28Å; V1086-L1090 WeakPolarHBondContact O-CG 3.48Å; V1086-L1090 PolarHBondContact O-N 3.26Å; L1090-G1092 PolarHBondContact O-N 3.3Å; L1090-G1092 VanDerWaalsContact O-N 3.07Å; L1090-H1093 VanDerWaalsContact O-CB 3.23Å; L1090-H1093 WeakPolarHBondContact O-CB 3.49Å; L1090-H1093 PolarHBondContact O-N 3.42Å; L1090-H1093 PolarHBondContact O-ND1 3.4Å; L1090-F1094 HydrophobicContact CD2-CD2 3.92Å; L1090-F1094 HydrophobicContact CD2-CE2 4.07Å; L1090-A1097 HydrophobicContact CD1-CB 3.44Å; L1090-A1097 VanDerWaalsContact CD1-CB 3.44Å
1091D71.1Confident74.1Confident120 Ų12062.8 Ų62.864%0.64234%0.335SS*.THydrogen-bonded Turntrans44.643.4176.8-167.730.2000113Q1087 H1093Q1087-D1091 WeakPolarHBondContact O-CA 3.41Å; Q1087-D1091 PolarHBondContact O-N 3.43Å; D1091-H1093 PolarHBondContact O-N 2.97Å; D1091-H1093 VanDerWaalsContact O-N 3.15Å; D1091-H1093 PolarHBondContact O-ND1 2.92Å; D1091-H1093 IonicContact OD2-CE1 3.91Å
1092G67Low73.9Confident40 Ų4065 Ų6541%0.41234%0.342SS..THydrogen-bonded Turntrans70.9-2.8-177.300000117L1090 F1094 V1638L1090-G1092 PolarHBondContact O-N 3.3Å; L1090-G1092 VanDerWaalsContact O-N 3.07Å; G1092-F1094 PolarHBondContact O-N 3.38Å; G1092-V1638 WeakPolarHBondContact O-CG1 3.37Å; G1092-V1638 WeakPolarHBondContact O-CG2 3.45Å
1093H67Low73.7Confident89 Ų8961.9 Ų61.941%0.41232%0.323SS..  trans-65.1-7.1-171.9-66.993000116.2P997 L1090 D1091P997-H1093 HydrophobicContact CG-CB 4.13Å; L1090-H1093 VanDerWaalsContact O-CB 3.23Å; L1090-H1093 WeakPolarHBondContact O-CB 3.49Å; L1090-H1093 PolarHBondContact O-N 3.42Å; L1090-H1093 PolarHBondContact O-ND1 3.4Å; D1091-H1093 PolarHBondContact O-N 2.97Å; D1091-H1093 VanDerWaalsContact O-N 3.15Å; D1091-H1093 PolarHBondContact O-ND1 2.92Å; D1091-H1093 IonicContact OD2-CE1 3.91Å
1094F67.6Low73.4Confident37 Ų3766.1 Ų66.116%0.16234%0.335CS..SBendtrans-130.3127.6176.5-64.1-84.4000110.4L982 F994 I995 L1090 G1092 Y1096L982-F1094 HydrophobicContact CB-CD1 4.27Å; L982-F1094 HydrophobicContact CB-CE1 3.88Å; F994-F1094 HydrophobicContact CB-CE2 4.12Å; F994-F1094 HydrophobicContact CB-CZ 4.29Å; F994-F1094 HydrophobicContact CD1-CB 4.25Å; F994-F1094 AromaticContact CD1-CD1 3.97Å; F994-F1094 HydrophobicContact CD1-CD1 3.97Å; F994-F1094 AromaticContact CD1-CD2 3.97Å; F994-F1094 HydrophobicContact CD1-CD2 3.97Å; F994-F1094 HydrophobicContact CD1-CE1 4.26Å; F994-F1094 HydrophobicContact CD1-CE2 4.25Å; F994-F1094 AromaticContact CD1-CG 3.81Å; F994-F1094 HydrophobicContact CD1-CG 3.81Å; F994-F1094 HydrophobicContact CD1-CZ 4.39Å; F994-F1094 HydrophobicContact CE1-CB 4.4Å; F994-F1094 HydrophobicContact CE1-CD1 4.5Å; F994-F1094 HydrophobicContact CE1-CG 4.38Å; I995-F1094 WeakPolarHBondContact O-CZ 3.29Å; L1090-F1094 HydrophobicContact CD2-CD2 3.92Å; L1090-F1094 HydrophobicContact CD2-CE2 4.07Å; G1092-F1094 PolarHBondContact O-N 3.38Å; F1094-Y1096 PolarHBondContact O-N 2.7Å
1095D58.3Low73.2Confident66 Ų6665 Ų6535%0.35335%0.345SS..SBendtrans-51.6-33.1-171.6-62.818.5000114.8T1636 P1637 V1638D1095-T1636 WeakPolarHBondContact OD2-CA 3.13Å; D1095-P1637 VanDerWaalsContact OD2-C 3.3Å; D1095-P1637 VanDerWaalsContact OD2-CA 3.31Å; D1095-P1637 WeakPolarHBondContact OD2-CA 3.26Å; D1095-V1638 VanDerWaalsContact OD1-CG2 3.3Å; D1095-V1638 WeakPolarHBondContact OD1-CG2 3.33Å; D1095-V1638 PolarHBondContact OD1-N 3.05Å
1096Y60.3Low73Confident151 Ų15169.7 Ų69.759%0.59236%0.36SS*.  trans-153.4103.6175.8-158.7-110.3000114F1094 G1098 E1102F1094-Y1096 PolarHBondContact O-N 2.7Å; Y1096-G1098 VanDerWaalsContact CE1-CA 3.48Å; Y1096-E1102 VanDerWaalsContact CE1-OE2 3.24Å; Y1096-E1102 WeakPolarHBondContact CE1-OE2 3.37Å; Y1096-E1102 VanDerWaalsContact OH-CD 3.28Å; Y1096-E1102 PolarHBondContact OH-OE1 2.97Å; Y1096-E1102 PolarHBondContact OH-OE2 3.05Å
1097A63.7Low73.2Confident33 Ų3371 Ų7127%0.27337%0.369SS..  trans-95.199.6157.200000107.9V1086 L1090V1086-A1097 HydrophobicContact CG1-CB 4.36Å; L1090-A1097 HydrophobicContact CD1-CB 3.44Å; L1090-A1097 VanDerWaalsContact CD1-CB 3.44Å
1098G68.2Low73.4Confident3 Ų364.8 Ų64.83%0.03134%0.34CS..  trans-57.3153.8-176.400000112.6Y1096 E1102 R1110Y1096-G1098 VanDerWaalsContact CE1-CA 3.48Å; G1098-E1102 WeakPolarHBondContact CA-OE2 3.18Å; G1098-R1110 PolarHBondContact O-NH1 3.37Å; G1098-R1110 PolarHBondContact O-NH2 3.2Å
1099S73.4Confident73.7Confident39 Ų3961.7 Ų61.727%0.27332%0.323SS..  trans-61.7158.9-177.663.20000112.7E1101 E1102 L1103S1099-E1101 PolarHBondContact O-N 2.89Å; S1099-E1101 VanDerWaalsContact O-N 3.11Å; S1099-E1102 VanDerWaalsContact CB-OE1 3.26Å; S1099-E1102 WeakPolarHBondContact CB-OE1 3.19Å; S1099-E1102 PolarHBondContact N-OE1 3.24Å; S1099-E1102 PolarHBondContact O-N 3.03Å; S1099-E1102 VanDerWaalsContact O-N 3.1Å; S1099-E1102 WeakPolarHBondContact OG-CG 3.26Å; S1099-E1102 PolarHBondContact OG-N 3.33Å; S1099-E1102 PolarHBondContact OG-OE1 3.14Å; S1099-L1103 PolarHBondContact O-N 3.19Å
1100L74.4Confident74.2Confident40 Ų4061.2 Ų61.221%0.20932%0.319CS..Hα-helixtrans-58.8-22.8173.8-174.561.7000112.4D1083 R1104D1083-L1100 PolarHBondContact OD1-N 2.93Å; D1083-L1100 VanDerWaalsContact OD1-N 3.09Å; D1083-L1100 WeakPolarHBondContact OD2-CB 3.46Å; D1083-L1100 PolarHBondContact OD2-N 3.45Å; L1100-R1104 WeakPolarHBondContact O-CB 3.37Å; L1100-R1104 VanDerWaalsContact O-CD 3.29Å; L1100-R1104 WeakPolarHBondContact O-CD 3.34Å; L1100-R1104 WeakPolarHBondContact O-CG 3.28Å; L1100-R1104 PolarHBondContact O-N 2.8Å
1101E74.3Confident74.7Confident154 Ų15460.9 Ų60.972%0.7232%0.317SS*.Hα-helixtrans-75-43.6174-57.4-159.914100112.2S1099 R1104 A1105S1099-E1101 PolarHBondContact O-N 2.89Å; S1099-E1101 VanDerWaalsContact O-N 3.11Å; E1101-R1104 PolarHBondContact O-N 3.43Å; E1101-A1105 PolarHBondContact O-N 3.47Å
1102E76.8Confident75.6Confident63 Ų6355.4 Ų55.429%0.29429%0.288SS..Hα-helixtrans-65.3-41.3174.4-67.6156.1-114.800112.6Y1096 G1098 S1099 R1104 A1105 K1106Y1096-E1102 VanDerWaalsContact CE1-OE2 3.24Å; Y1096-E1102 WeakPolarHBondContact CE1-OE2 3.37Å; Y1096-E1102 VanDerWaalsContact OH-CD 3.28Å; Y1096-E1102 PolarHBondContact OH-OE1 2.97Å; Y1096-E1102 PolarHBondContact OH-OE2 3.05Å; G1098-E1102 WeakPolarHBondContact CA-OE2 3.18Å; S1099-E1102 VanDerWaalsContact CB-OE1 3.26Å; S1099-E1102 WeakPolarHBondContact CB-OE1 3.19Å; S1099-E1102 PolarHBondContact N-OE1 3.24Å; S1099-E1102 PolarHBondContact O-N 3.03Å; S1099-E1102 VanDerWaalsContact O-N 3.1Å; S1099-E1102 WeakPolarHBondContact OG-CG 3.26Å; S1099-E1102 PolarHBondContact OG-N 3.33Å; S1099-E1102 PolarHBondContact OG-OE1 3.14Å; E1102-R1104 VanDerWaalsContact C-N 3.33Å; E1102-R1104 PolarHBondContact O-N 3.21Å; E1102-A1105 WeakPolarHBondContact O-CB 3.48Å; E1102-A1105 PolarHBondContact O-N 3.15Å; E1102-A1105 VanDerWaalsContact O-N 3.15Å; E1102-K1106 PolarHBondContact O-N 2.68Å
1103L78.6Confident76.7Confident4 Ų453.5 Ų53.52%0.02127%0.268CS..Hα-helixtrans-65.6-37.9177.1-69.2-168.8000111.6E1049 S1099 A1105 K1106 S1107 I1108 R1110E1049-L1103 HydrophobicContact CG-CD1 4.11Å; E1049-L1103 WeakPolarHBondContact OE1-CD1 3.45Å; S1099-L1103 PolarHBondContact O-N 3.19Å; L1103-A1105 VanDerWaalsContact C-N 3.31Å; L1103-A1105 PolarHBondContact O-N 3.28Å; L1103-K1106 CarbonylContact O-C 3.59Å; L1103-K1106 WeakPolarHBondContact O-CA 3.28Å; L1103-K1106 PolarHBondContact O-N 3.34Å; L1103-K1106 VanDerWaalsContact O-N 3.09Å; L1103-S1107 PolarHBondContact O-N 3.42Å; L1103-I1108 HydrophobicContact CB-CB 4.16Å; L1103-I1108 HydrophobicContact CD1-CG2 4.33Å; L1103-I1108 HydrophobicContact CD2-CB 4.12Å; L1103-I1108 HydrophobicContact CD2-CD1 3.95Å; L1103-I1108 HydrophobicContact CD2-CG2 4.19Å; L1103-I1108 PolarHBondContact O-N 2.88Å; L1103-R1110 HydrophobicContact CD1-CG 3.59Å; L1103-R1110 VanDerWaalsContact CD1-NE 3.28Å
1104R75.4Confident77.7Confident148 Ų14854.7 Ų54.756%0.55827%0.27SS*.Hα-helixtrans-61.8-38170.6-77.8168.5178.8163.21.5112.3L1100 E1101 E1102 K1106 S1107L1100-R1104 WeakPolarHBondContact O-CB 3.37Å; L1100-R1104 VanDerWaalsContact O-CD 3.29Å; L1100-R1104 WeakPolarHBondContact O-CD 3.34Å; L1100-R1104 WeakPolarHBondContact O-CG 3.28Å; L1100-R1104 PolarHBondContact O-N 2.8Å; E1101-R1104 PolarHBondContact O-N 3.43Å; E1102-R1104 VanDerWaalsContact C-N 3.33Å; E1102-R1104 PolarHBondContact O-N 3.21Å; R1104-K1106 PolarHBondContact O-N 2.85Å; R1104-S1107 PolarHBondContact O-N 3.21Å; R1104-S1107 VanDerWaalsContact O-N 3.15Å
1105A77Confident78.7Confident90 Ų9054.4 Ų54.474%0.74427%0.27SS*.Hα-helixtrans-65.1-27.2173.900000112.9E1101 E1102 L1103E1101-A1105 PolarHBondContact O-N 3.47Å; E1102-A1105 WeakPolarHBondContact O-CB 3.48Å; E1102-A1105 PolarHBondContact O-N 3.15Å; E1102-A1105 VanDerWaalsContact O-N 3.15Å; L1103-A1105 VanDerWaalsContact C-N 3.31Å; L1103-A1105 PolarHBondContact O-N 3.28Å
1106K79.4Confident80Confident126 Ų12651.3 Ų51.355%0.54825%0.254SS..THydrogen-bonded Turntrans-92.10.9173.3-65.3-178.3178.5-175.90114.4E1102 L1103 R1104 I1108E1102-K1106 PolarHBondContact O-N 2.68Å; L1103-K1106 CarbonylContact O-C 3.59Å; L1103-K1106 WeakPolarHBondContact O-CA 3.28Å; L1103-K1106 PolarHBondContact O-N 3.34Å; L1103-K1106 VanDerWaalsContact O-N 3.09Å; R1104-K1106 PolarHBondContact O-N 2.85Å; K1106-I1108 VanDerWaalsContact C-N 3.35Å; K1106-I1108 HydrophobicContact CB-CD1 3.64Å; K1106-I1108 HydrophobicContact CB-CG1 3.94Å; K1106-I1108 HydrophobicContact CD-CD1 4.15Å; K1106-I1108 PolarHBondContact O-N 3.37Å
1107S84.6Confident81.3Confident30 Ų3044.2 Ų44.221%0.2123%0.226CC..THydrogen-bonded Turntrans55.742.4-172.4-48.80000113.9P1051 H1052 L1103 R1104 I1302P1051-S1107 CarbonylContact C-O 3.48Å; P1051-S1107 WeakPolarHBondContact CA-O 3.44Å; H1052-S1107 PolarHBondContact CD2-O 2.82Å; H1052-S1107 PolarHBondContact N-O 3.35Å; H1052-S1107 WeakPolarHBondContact O-CB 3.49Å; L1103-S1107 PolarHBondContact O-N 3.42Å; R1104-S1107 PolarHBondContact O-N 3.21Å; R1104-S1107 VanDerWaalsContact O-N 3.15Å; S1107-I1302 VanDerWaalsContact OG-CD1 3.29Å; S1107-I1302 WeakPolarHBondContact OG-CD1 3.46Å
1108I86Confident82.4Confident3 Ų345.1 Ų45.12%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-109.1131.6177.8-58.5166000109.4D990 E1049 L1103 K1106D990-I1108 HydrophobicContact CB-CD1 3.73Å; D990-I1108 HydrophobicContact CB-CG1 4.15Å; E1049-I1108 HydrophobicContact CB-CG2 3.78Å; E1049-I1108 HydrophobicContact CG-CG2 4.11Å; L1103-I1108 HydrophobicContact CB-CB 4.16Å; L1103-I1108 HydrophobicContact CD1-CG2 4.33Å; L1103-I1108 HydrophobicContact CD2-CB 4.12Å; L1103-I1108 HydrophobicContact CD2-CD1 3.95Å; L1103-I1108 HydrophobicContact CD2-CG2 4.19Å; L1103-I1108 PolarHBondContact O-N 2.88Å; K1106-I1108 VanDerWaalsContact C-N 3.35Å; K1106-I1108 HydrophobicContact CB-CD1 3.64Å; K1106-I1108 HydrophobicContact CB-CG1 3.94Å; K1106-I1108 HydrophobicContact CD-CD1 4.15Å; K1106-I1108 PolarHBondContact O-N 3.37Å
1109H87.1Confident83.5Confident38 Ų3846.5 Ų46.518%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-103.6149.5174.7-159.776.1000111.3E1049 I1050 L1122E1049-H1109 WeakPolarHBondContact CA-O 3.2Å; I1050-H1109 PolarHBondContact N-O 2.99Å; I1050-H1109 PolarHBondContact O-N 2.88Å; H1109-L1122 HydrophobicContact CB-CD2 3.96Å
1110R89.4Confident84.4Confident5 Ų544.7 Ų44.72%0.01922%0.216CC..EExtended strand (participates in β ladder)trans-106.7137.7177.9-73.4-167.7158.41366.9112L1047 L1048 E1049 A1081 D1083 G1098 L1103L1047-R1110 HydrophobicContact CD1-CB 3.76Å; L1047-R1110 HydrophobicContact CD1-CG 3.8Å; L1048-R1110 CarbonylContact O-C 3.53Å; L1048-R1110 WeakPolarHBondContact O-CA 3.3Å; E1049-R1110 HydrophobicContact CG-CG 3.86Å; E1049-R1110 IonicContact OE1-CZ 3.12Å; E1049-R1110 VanDerWaalsContact OE1-CZ 3.27Å; E1049-R1110 IonicContact OE1-NE 2.8Å; E1049-R1110 PolarHBondContact OE1-NE 2.86Å; E1049-R1110 IonicContact OE1-NH2 4Å; E1049-R1110 PolarHBondContact OE1-NH2 2.73Å; A1081-R1110 HydrophobicContact CB-CB 3.58Å; D1083-R1110 IonicContact OD1-NH1 2.65Å; D1083-R1110 PolarHBondContact OD1-NH1 3.1Å; G1098-R1110 PolarHBondContact O-NH1 3.37Å; G1098-R1110 PolarHBondContact O-NH2 3.2Å; L1103-R1110 HydrophobicContact CD1-CG 3.59Å; L1103-R1110 VanDerWaalsContact CD1-NE 3.28Å
1111I89.8Confident85.2Confident0 Ų042.8 Ų42.80%021%0.206CC..EExtended strand (participates in β ladder)trans-124.5113.3169.4-47.7-175000108.1L1047 L1048 I1050 I1065 F1120 L1122L1047-I1111 WeakPolarHBondContact CA-O 3.46Å; L1048-I1111 HydrophobicContact CB-CB 4.25Å; L1048-I1111 PolarHBondContact N-O 2.76Å; L1048-I1111 PolarHBondContact O-N 3.27Å; I1050-I1111 HydrophobicContact CD1-CD1 3.5Å; I1050-I1111 VanDerWaalsContact CD1-CD1 3.5Å; I1050-I1111 HydrophobicContact CD1-CG1 4.04Å; I1065-I1111 HydrophobicContact CD1-CB 4.29Å; I1065-I1111 HydrophobicContact CD1-CD1 4.31Å; I1065-I1111 HydrophobicContact CD1-CG1 3.73Å; I1065-I1111 HydrophobicContact CD1-CG2 4.21Å; I1065-I1111 HydrophobicContact CG1-CD1 3.97Å; I1065-I1111 HydrophobicContact CG1-CG1 3.93Å; I1065-I1111 HydrophobicContact CG2-CD1 3.91Å; I1065-I1111 HydrophobicContact CG2-CG2 4.37Å; I1111-F1120 HydrophobicContact CD1-CD1 4.32Å; I1111-F1120 HydrophobicContact CD1-CG 4.34Å; I1111-F1120 HydrophobicContact CG2-CE1 4.09Å; I1111-F1120 HydrophobicContact CG2-CZ 4.15Å; I1111-L1122 HydrophobicContact CD1-CD1 4.01Å
1112L89.6Confident86Confident5 Ų535.4 Ų35.43%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-85.3127.2163-71.9179.8000108.4P1045 I1046 L1047 H1077 L1079 A1081 A1085 V1086 T1089P1045-L1112 HydrophobicContact CB-CB 4.29Å; P1045-L1112 HydrophobicContact CB-CD2 4.33Å; I1046-L1112 WeakPolarHBondContact O-CA 3.34Å; L1047-L1112 HydrophobicContact CB-CD2 3.83Å; L1047-L1112 HydrophobicContact CD1-CD2 3.99Å; L1047-L1112 HydrophobicContact CG-CD2 4.48Å; H1077-L1112 PolarHBondContact NE2-O 2.9Å; L1079-L1112 VanDerWaalsContact CB-O 3.26Å; L1079-L1112 WeakPolarHBondContact CB-O 3.28Å; A1081-L1112 HydrophobicContact CB-CB 4.38Å; A1081-L1112 HydrophobicContact CB-CD1 4.33Å; A1081-L1112 HydrophobicContact CB-CG 3.88Å; A1085-L1112 HydrophobicContact CB-CD1 3.8Å; V1086-L1112 HydrophobicContact CG2-CD1 4.15Å; V1086-L1112 HydrophobicContact CG2-CD2 4.24Å; V1086-L1112 HydrophobicContact CG2-CG 4.27Å; T1089-L1112 HydrophobicContact CG2-CD2 4.01Å
1113T90Very high86.8Confident0 Ų032.8 Ų32.80%016%0.16CC..EExtended strand (participates in β ladder)trans-141138.9176.1-166.50000112.6P1045 I1046 L1048 H1077 D1115 F1120P1045-T1113 CarbonylContact C-O 3.22Å; P1045-T1113 VanDerWaalsContact CA-O 3.3Å; P1045-T1113 WeakPolarHBondContact CA-O 3.16Å; I1046-T1113 HydrophobicContact CD1-CG2 4.27Å; I1046-T1113 HydrophobicContact CG1-CG2 3.76Å; I1046-T1113 PolarHBondContact N-O 2.86Å; I1046-T1113 PolarHBondContact O-N 2.87Å; L1048-T1113 HydrophobicContact CD1-CG2 3.72Å; H1077-T1113 PolarHBondContact CE1-OG1 3.24Å; T1113-D1115 VanDerWaalsContact C-N 3.27Å; T1113-D1115 WeakPolarHBondContact CG2-O 3.13Å; T1113-D1115 PolarHBondContact OG1-N 2.65Å; T1113-D1115 PolarHBondContact OG1-O 2.69Å; T1113-D1115 PolarHBondContact OG1-OD1 3.5Å; T1113-F1120 HydrophobicContact CG2-CZ 4.16Å
1114Y88.1Confident87.4Confident113 Ų11332.6 Ų32.644%0.44316%0.159SC..EExtended strand (participates in β ladder)trans-80.1-8.3169.6-71-70.3000112.6R1041 F1042 P1045 L1079R1041-Y1114 CarbonylContact C-O 3.44Å; R1041-Y1114 WeakPolarHBondContact CA-O 3.17Å; F1042-Y1114 WeakPolarHBondContact CB-O 3.37Å; F1042-Y1114 PolarHBondContact N-O 3.17Å; P1045-Y1114 HydrophobicContact CB-CD1 4.41Å; P1045-Y1114 HydrophobicContact CB-CE1 4.35Å; P1045-Y1114 VanDerWaalsContact CD-CE1 3.42Å; P1045-Y1114 HydrophobicContact CG-CD1 4.09Å; P1045-Y1114 HydrophobicContact CG-CE1 3.54Å; P1045-Y1114 HydrophobicContact CG-CE2 4.38Å; L1079-Y1114 HydrophobicContact CD1-CD2 3.63Å; L1079-Y1114 HydrophobicContact CD1-CE2 4.06Å; L1079-Y1114 HydrophobicContact CD2-CD2 4.28Å; L1079-Y1114 HydrophobicContact CD2-CE2 3.82Å
1115D88.3Confident88Confident32 Ų3227.3 Ų27.317%0.17114%0.139CC..EExtended strand (participates in β ladder)trans-157.2157.5-174.660.3-30.7000113.7I1040 R1041 R1067 T1113 P1117I1040-D1115 CarbonylContact O-C 3.59Å; I1040-D1115 WeakPolarHBondContact O-CA 3.21Å; I1040-D1115 VanDerWaalsContact O-CB 3.29Å; I1040-D1115 WeakPolarHBondContact O-CB 3.35Å; R1041-D1115 HydrophobicContact CG-CB 4.09Å; R1067-D1115 IonicContact CZ-OD1 2.7Å; R1067-D1115 IonicContact CZ-OD2 3.54Å; R1067-D1115 IonicContact NH1-OD1 3.6Å; R1067-D1115 PolarHBondContact NH1-OD1 2.83Å; R1067-D1115 IonicContact NH1-OD2 3.58Å; R1067-D1115 PolarHBondContact NH1-OD2 2.65Å; R1067-D1115 IonicContact NH2-OD1 2.74Å; R1067-D1115 IonicContact NH2-OD2 3.5Å; R1067-D1115 PolarHBondContact NH2-OD2 2.81Å; T1113-D1115 VanDerWaalsContact C-N 3.27Å; T1113-D1115 WeakPolarHBondContact CG2-O 3.13Å; T1113-D1115 PolarHBondContact OG1-N 2.65Å; T1113-D1115 PolarHBondContact OG1-O 2.69Å; T1113-D1115 PolarHBondContact OG1-OD1 3.5Å; D1115-P1117 VanDerWaalsContact O-CD 3.24Å; D1115-P1117 WeakPolarHBondContact O-CD 3.37Å
1116L86.6Confident88.6Confident1 Ų123.6 Ų23.61%0.00511%0.106CC..  trans-93.3106.1175.6-61-176.8000110.6I1006 I1035 P1038 G1039 I1040 F1042 I1046I1006-L1116 HydrophobicContact CD1-CD1 4.31Å; I1006-L1116 HydrophobicContact CG1-CD1 4.22Å; I1006-L1116 HydrophobicContact CG2-CD1 4.19Å; I1035-L1116 HydrophobicContact CG2-CD1 4.01Å; I1035-L1116 HydrophobicContact CG2-CD2 4.07Å; I1035-L1116 HydrophobicContact CG2-CG 4.42Å; P1038-L1116 CarbonylContact C-O 3.57Å; P1038-L1116 WeakPolarHBondContact CA-O 3.43Å; G1039-L1116 PolarHBondContact N-O 2.82Å; I1040-L1116 PolarHBondContact O-N 2.69Å; F1042-L1116 HydrophobicContact CE2-CD1 4.41Å; F1042-L1116 HydrophobicContact CE2-CD2 3.75Å; F1042-L1116 HydrophobicContact CE2-CG 3.66Å; F1042-L1116 HydrophobicContact CZ-CD1 3.99Å; F1042-L1116 HydrophobicContact CZ-CD2 4.05Å; F1042-L1116 HydrophobicContact CZ-CG 3.75Å; I1046-L1116 HydrophobicContact CD1-CD2 3.95Å
1117P87.8Confident89Confident2 Ų220 Ų201%0.0139%0.091CC..  trans-69.9159.7162.932.7-36.1000110.2R1067 D1115 Y1119 F1120R1067-P1117 HydrophobicContact CB-CB 3.96Å; R1067-P1117 HydrophobicContact CB-CG 3.81Å; D1115-P1117 VanDerWaalsContact O-CD 3.24Å; D1115-P1117 WeakPolarHBondContact O-CD 3.37Å; P1117-Y1119 PolarHBondContact O-N 3.47Å; P1117-F1120 VanDerWaalsContact CD-CE2 3.49Å; P1117-F1120 VanDerWaalsContact CD-CZ 3.42Å; P1117-F1120 HydrophobicContact CG-CD1 3.97Å; P1117-F1120 HydrophobicContact CG-CD2 3.88Å; P1117-F1120 HydrophobicContact CG-CE1 3.67Å; P1117-F1120 HydrophobicContact CG-CE2 3.57Å; P1117-F1120 HydrophobicContact CG-CG 4.08Å; P1117-F1120 HydrophobicContact CG-CZ 3.46Å; P1117-F1120 VanDerWaalsContact CG-CZ 3.46Å
1118Q86.8Confident89.2Confident52 Ų5220 Ų2024%0.2439%0.087CC..SBendtrans-60-34.7174.3-169.4-176.7300112.2E1034 I1035 P1038 S1068 D1069 N1070E1034-Q1118 CarbonylContact C-O 3.41Å; E1034-Q1118 WeakPolarHBondContact CA-O 3.3Å; I1035-Q1118 PolarHBondContact N-O 3.09Å; P1038-Q1118 HydrophobicContact CB-CB 3.93Å; S1068-Q1118 PolarHBondContact O-N 3.03Å; S1068-Q1118 VanDerWaalsContact O-N 3.14Å; D1069-Q1118 WeakPolarHBondContact O-CB 3.34Å; N1070-Q1118 PolarHBondContact O-OE1 2.84Å
1119Y90Very high89.3Confident32 Ų3221.4 Ų21.413%0.1259%0.094CC..EExtended strand (participates in β ladder)trans-136.2142176.2-54.8-87000113.8M1016 L1033 E1034 R1067 S1068 W1074 P1117M1016-Y1119 HydrophobicContact SD-CD1 3.83Å; M1016-Y1119 HydrophobicContact SD-CE1 3.64Å; M1016-Y1119 HydrophobicContact SD-CE2 4.44Å; M1016-Y1119 HydrophobicContact SD-CG 4.31Å; L1033-Y1119 CarbonylContact O-C 3.55Å; L1033-Y1119 VanDerWaalsContact O-CA 3.24Å; L1033-Y1119 WeakPolarHBondContact O-CA 3.39Å; E1034-Y1119 HydrophobicContact CB-CD1 3.96Å; E1034-Y1119 HydrophobicContact CB-CE1 3.8Å; E1034-Y1119 HydrophobicContact CG-CD1 4.38Å; E1034-Y1119 HydrophobicContact CG-CE1 3.93Å; R1067-Y1119 CarbonylContact C-O 3.55Å; R1067-Y1119 WeakPolarHBondContact CA-O 3.47Å; S1068-Y1119 PolarHBondContact N-O 2.9Å; S1068-Y1119 PolarHBondContact O-N 2.79Å; W1074-Y1119 VanDerWaalsContact CH2-CB 3.45Å; W1074-Y1119 HydrophobicContact CH2-CG 4.11Å; P1117-Y1119 PolarHBondContact O-N 3.47Å
1120F91.9Very high89.3Confident0 Ų023.5 Ų23.50%011%0.106CC..EExtended strand (participates in β ladder)trans-111141.7157.2-74-72.3000110.9L1033 I1035 L1048 I1065 L1066 R1067 I1111 T1113 P1117L1033-F1120 HydrophobicContact CB-CB 4.21Å; L1033-F1120 HydrophobicContact CD1-CB 4.29Å; L1033-F1120 PolarHBondContact N-O 3.1Å; L1033-F1120 PolarHBondContact O-N 2.84Å; I1035-F1120 HydrophobicContact CD1-CD2 3.76Å; I1035-F1120 HydrophobicContact CD1-CE2 4.16Å; L1048-F1120 HydrophobicContact CD2-CE2 4.33Å; I1065-F1120 HydrophobicContact CG2-CD1 3.54Å; I1065-F1120 HydrophobicContact CG2-CE1 3.95Å; L1066-F1120 WeakPolarHBondContact O-CA 3.4Å; R1067-F1120 HydrophobicContact CB-CD1 3.99Å; R1067-F1120 HydrophobicContact CB-CE1 4.02Å; I1111-F1120 HydrophobicContact CD1-CD1 4.32Å; I1111-F1120 HydrophobicContact CD1-CG 4.34Å; I1111-F1120 HydrophobicContact CG2-CE1 4.09Å; I1111-F1120 HydrophobicContact CG2-CZ 4.15Å; T1113-F1120 HydrophobicContact CG2-CZ 4.16Å; P1117-F1120 VanDerWaalsContact CD-CE2 3.49Å; P1117-F1120 VanDerWaalsContact CD-CZ 3.42Å; P1117-F1120 HydrophobicContact CG-CD1 3.97Å; P1117-F1120 HydrophobicContact CG-CD2 3.88Å; P1117-F1120 HydrophobicContact CG-CE1 3.67Å; P1117-F1120 HydrophobicContact CG-CE2 3.57Å; P1117-F1120 HydrophobicContact CG-CG 4.08Å; P1117-F1120 HydrophobicContact CG-CZ 3.46Å; P1117-F1120 VanDerWaalsContact CG-CZ 3.46Å
1121A91.3Very high89.2Confident0 Ų027.3 Ų27.30%013%0.126CC..EExtended strand (participates in β ladder)trans-124.9115.2169.200000109.1P1020 L1028 L1032 L1066 W1074P1020-A1121 HydrophobicContact CG-CB 4.14Å; L1028-A1121 HydrophobicContact CD2-CB 4.22Å; L1032-A1121 HydrophobicContact CD2-CB 3.48Å; L1032-A1121 VanDerWaalsContact CD2-CB 3.48Å; L1066-A1121 HydrophobicContact CB-CB 4.43Å; L1066-A1121 PolarHBondContact N-O 2.79Å; L1066-A1121 PolarHBondContact O-N 3.29Å; W1074-A1121 HydrophobicContact CE3-CB 4.16Å; W1074-A1121 HydrophobicContact CH2-CB 4.32Å; W1074-A1121 HydrophobicContact CZ3-CB 3.59Å
1122L92.7Very high89Confident0 Ų032 Ų320%015%0.151CC..EExtended strand (participates in β ladder)trans-81125167.2-71.666.3000107.1L1028 A1029 L1033 I1050 I1063 V1064 H1109 I1111L1028-L1122 CarbonylContact C-O 3.6Å; L1028-L1122 WeakPolarHBondContact CA-O 3.46Å; A1029-L1122 HydrophobicContact CB-CB 3.96Å; A1029-L1122 PolarHBondContact N-O 2.89Å; L1033-L1122 HydrophobicContact CD1-CD1 3.79Å; I1050-L1122 HydrophobicContact CB-CD2 4.24Å; I1050-L1122 HydrophobicContact CD1-CD1 4.35Å; I1050-L1122 HydrophobicContact CG2-CD1 4.25Å; I1050-L1122 HydrophobicContact CG2-CD2 3.71Å; I1063-L1122 HydrophobicContact CG2-CB 4.14Å; I1063-L1122 HydrophobicContact CG2-CD2 4.41Å; I1063-L1122 HydrophobicContact CG2-CG 4.39Å; V1064-L1122 CarbonylContact O-C 3.57Å; V1064-L1122 WeakPolarHBondContact O-CA 3.13Å; H1109-L1122 HydrophobicContact CB-CD2 3.96Å; I1111-L1122 HydrophobicContact CD1-CD1 4.01Å
1123I91.6Very high88.9Confident8 Ų832 Ų324%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-118125.6178.5-62.1-175.8000108.2P1020 M1022 D1026 G1027 L1028 I1063 V1064 L1066P1020-I1123 HydrophobicContact CB-CD1 4.43Å; M1022-I1123 HydrophobicContact CG-CD1 4.31Å; D1026-I1123 HydrophobicContact CB-CG2 3.95Å; G1027-I1123 CarbonylContact O-C 3.57Å; G1027-I1123 VanDerWaalsContact O-CA 3.31Å; G1027-I1123 WeakPolarHBondContact O-CA 3.39Å; G1027-I1123 WeakPolarHBondContact O-CG2 3.31Å; L1028-I1123 HydrophobicContact CD2-CG1 4.23Å; I1063-I1123 CarbonylContact C-O 3.56Å; I1063-I1123 WeakPolarHBondContact CA-O 3.45Å; V1064-I1123 PolarHBondContact N-O 3.33Å; V1064-I1123 PolarHBondContact O-N 2.9Å; L1066-I1123 HydrophobicContact CD1-CD1 3.48Å; L1066-I1123 VanDerWaalsContact CD1-CD1 3.48Å; L1066-I1123 HydrophobicContact CG-CD1 3.78Å
1124T91.2Very high88.6Confident0 Ų032 Ų320%015%0.15CC..EExtended strand (participates in β ladder)trans-81.8126.9163.4175.70000109.7D1026 G1027 A1054 R1061 E1062 V1299D1026-T1124 WeakPolarHBondContact CA-O 3.42Å; G1027-T1124 PolarHBondContact N-O 3.19Å; G1027-T1124 WeakPolarHBondContact O-CG2 3.47Å; G1027-T1124 PolarHBondContact O-N 3.5Å; A1054-T1124 HydrophobicContact CB-CG2 3.57Å; R1061-T1124 PolarHBondContact NE-OG1 2.63Å; R1061-T1124 VanDerWaalsContact NH2-C 3.33Å; R1061-T1124 PolarHBondContact NH2-O 3.46Å; R1061-T1124 PolarHBondContact NH2-OG1 2.87Å; E1062-T1124 VanDerWaalsContact O-CA 3.26Å; E1062-T1124 WeakPolarHBondContact O-CA 3.43Å; E1062-T1124 PolarHBondContact O-OG1 2.92Å; T1124-V1299 HydrophobicContact CG2-CG1 3.61Å
1125R89.1Confident88.5Confident37 Ų3729.4 Ų29.414%0.1415%0.148CC..EExtended strand (participates in β ladder)trans-128.2168.5172.769.5173.7-176.4-135.4-12.4111.9D1026 R1061 E1062 V1064 E1076D1026-R1125 WeakPolarHBondContact OD1-CB 3.38Å; R1061-R1125 CarbonylContact C-O 3.59Å; R1061-R1125 VanDerWaalsContact CA-O 3.23Å; R1061-R1125 WeakPolarHBondContact CA-O 3.36Å; R1061-R1125 WeakPolarHBondContact CB-O 3.38Å; E1062-R1125 HydrophobicContact CG-CG 3.71Å; E1062-R1125 PolarHBondContact N-O 3.25Å; E1062-R1125 PolarHBondContact O-N 3Å; E1062-R1125 IonicContact OE1-CZ 2.81Å; E1062-R1125 IonicContact OE1-NE 2.66Å; E1062-R1125 PolarHBondContact OE1-NE 2.91Å; E1062-R1125 IonicContact OE1-NH2 2.71Å; E1062-R1125 PolarHBondContact OE1-NH2 2.81Å; V1064-R1125 HydrophobicContact CG2-CG 3.73Å; E1076-R1125 IonicContact OE1-CZ 3.97Å; E1076-R1125 IonicContact OE1-NH1 3.7Å; E1076-R1125 PolarHBondContact OE1-NH1 2.95Å; E1076-R1125 IonicContact OE1-NH2 3Å; E1076-R1125 PolarHBondContact OE1-NH2 3.25Å; E1076-R1125 VanDerWaalsContact OE1-NH2 3.13Å
1126I88.4Confident88.5Confident11 Ų1132 Ų326%0.05616%0.159CC..EExtended strand (participates in β ladder)trans-63135.1168.2-63.5159.8000108.4Q1128 Q1166 H1168 L1297I1126-Q1128 PolarHBondContact O-N 3.35Å; I1126-Q1166 HydrophobicContact CG2-CB 4.11Å; I1126-H1168 HydrophobicContact CD1-CB 4.07Å; I1126-H1168 HydrophobicContact CG1-CB 4.48Å; I1126-H1168 HydrophobicContact CG2-CB 3.97Å; I1126-L1297 HydrophobicContact CD1-CD2 3.98Å
1127K88.6Confident88.4Confident50 Ų5032.5 Ų32.522%0.21716%0.164CC..  trans-57133.3-172.7-166.4-168.2171.6-163.70111.9N1060 E1062 E1129 T1143 V1144 Q1166N1060-K1127 PolarHBondContact O-N 2.86Å; E1062-K1127 HydrophobicContact CB-CG 4.35Å; E1062-K1127 VanDerWaalsContact OE2-CA 3.3Å; E1062-K1127 WeakPolarHBondContact OE2-CA 3.41Å; E1062-K1127 WeakPolarHBondContact OE2-CG 3.3Å; K1127-E1129 WeakPolarHBondContact CE-OE1 3.35Å; K1127-E1129 VanDerWaalsContact NZ-CD 3.31Å; K1127-E1129 IonicContact NZ-OE1 3.77Å; K1127-E1129 PolarHBondContact NZ-OE1 3.1Å; K1127-E1129 IonicContact NZ-OE2 2.95Å; K1127-E1129 PolarHBondContact NZ-OE2 2.81Å; K1127-E1129 VanDerWaalsContact NZ-OE2 3.12Å; K1127-T1143 PolarHBondContact NZ-OG1 3.01Å; K1127-V1144 HydrophobicContact CB-CG2 4.06Å; K1127-V1144 HydrophobicContact CD-CG2 4Å; K1127-Q1166 VanDerWaalsContact O-CA 3.3Å; K1127-Q1166 WeakPolarHBondContact O-CA 3.18Å
1128Q88.6Confident88.4Confident30 Ų3034 Ų3414%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-122.8106.3-176.8-170172.5-57.500113E1062 I1126 L1130 Q1166E1062-Q1128 PolarHBondContact OE2-N 2.95Å; I1126-Q1128 PolarHBondContact O-N 3.35Å; Q1128-L1130 HydrophobicContact CG-CG 4.32Å; Q1128-L1130 PolarHBondContact O-N 3.06Å; Q1128-Q1166 HydrophobicContact CB-CG 3.86Å; Q1128-Q1166 HydrophobicContact CG-CG 3.77Å
1129E88.8Confident88.5Confident34 Ų3434.4 Ų34.416%0.15919%0.185CC..EExtended strand (participates in β ladder)trans-74.2113.8172.9-50-62.2175.100110K1127 L1140 T1143 G1164 L1165K1127-E1129 WeakPolarHBondContact CE-OE1 3.35Å; K1127-E1129 VanDerWaalsContact NZ-CD 3.31Å; K1127-E1129 IonicContact NZ-OE1 3.77Å; K1127-E1129 PolarHBondContact NZ-OE1 3.1Å; K1127-E1129 IonicContact NZ-OE2 2.95Å; K1127-E1129 PolarHBondContact NZ-OE2 2.81Å; K1127-E1129 VanDerWaalsContact NZ-OE2 3.12Å; E1129-L1140 HydrophobicContact CB-CD2 3.74Å; E1129-T1143 VanDerWaalsContact OE1-CB 3.29Å; E1129-T1143 WeakPolarHBondContact OE1-CB 3.44Å; E1129-T1143 WeakPolarHBondContact OE1-CG2 3.34Å; E1129-T1143 PolarHBondContact OE1-N 3.42Å; E1129-T1143 VanDerWaalsContact OE1-N 3.11Å; E1129-T1143 PolarHBondContact OE1-OG1 2.88Å; E1129-G1164 CarbonylContact O-C 3.59Å; E1129-G1164 VanDerWaalsContact O-CA 3.31Å; E1129-G1164 WeakPolarHBondContact O-CA 3.35Å; E1129-L1165 HydrophobicContact CB-CB 4.5Å; E1129-L1165 PolarHBondContact N-O 2.73Å; E1129-L1165 PolarHBondContact O-N 3.13Å
1130L86.6Confident88.5Confident81 Ų8133.3 Ų33.342%0.42418%0.182SC..EExtended strand (participates in β ladder)trans-104.7129-178.3-83.2165.8000111.8Q1128 R1162Q1128-L1130 HydrophobicContact CG-CG 4.32Å; Q1128-L1130 PolarHBondContact O-N 3.06Å; L1130-R1162 HydrophobicContact CD2-CB 4.46Å
1131I86.6Confident88.4Confident85 Ų8537.1 Ų37.144%0.43621%0.205SC..EExtended strand (participates in β ladder)trans-140.9152.8172.5-157.1173.6000111.6I1133 L1140 V1163I1131-I1133 HydrophobicContact CG2-CD1 3.72Å; I1131-I1133 HydrophobicContact CG2-CG1 3.53Å; I1131-L1140 HydrophobicContact CG2-CB 4.29Å; I1131-L1140 HydrophobicContact CG2-CD1 3.72Å; I1131-L1140 HydrophobicContact CG2-CG 3.65Å; I1131-V1163 PolarHBondContact N-O 3.28Å; I1131-V1163 PolarHBondContact O-N 3.4Å
1132L87.1Confident88.3Confident100 Ų10037.3 Ų37.352%0.52421%0.207SC..EExtended strand (participates in β ladder)trans-90.5107.5178.3-163.882.6000110.2R1160 I1161 R1162L1132-R1160 HydrophobicContact CD2-CB 4.05Å; L1132-R1160 HydrophobicContact CD2-CG 4.47Å; L1132-R1160 HydrophobicContact CG-CB 4.14Å; L1132-I1161 WeakPolarHBondContact CA-O 3.44Å; L1132-R1162 HydrophobicContact CD1-CG 3.87Å
1133I86.2Confident88Confident4 Ų441.1 Ų41.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-110131.9-177.2-50-173.2000110I1131 G1137 F1152 L1157 R1160 I1161 V1163I1131-I1133 HydrophobicContact CG2-CD1 3.72Å; I1131-I1133 HydrophobicContact CG2-CG1 3.53Å; I1133-G1137 WeakPolarHBondContact CG2-O 3.48Å; I1133-F1152 HydrophobicContact CD1-CD1 4.22Å; I1133-F1152 HydrophobicContact CD1-CD2 3.31Å; I1133-F1152 HydrophobicContact CD1-CE1 4.3Å; I1133-F1152 HydrophobicContact CD1-CE2 3.42Å; I1133-F1152 VanDerWaalsContact CD1-CE2 3.42Å; I1133-F1152 HydrophobicContact CD1-CG 3.77Å; I1133-F1152 HydrophobicContact CD1-CZ 3.95Å; I1133-F1152 HydrophobicContact CG2-CB 4.03Å; I1133-F1152 HydrophobicContact CG2-CD1 4.49Å; I1133-F1152 HydrophobicContact CG2-CG 4.15Å; I1133-L1157 HydrophobicContact CB-CD1 3.82Å; I1133-L1157 HydrophobicContact CG2-CD1 3.92Å; I1133-L1157 WeakPolarHBondContact O-CD1 3.16Å; I1133-R1160 WeakPolarHBondContact O-CA 3.33Å; I1133-I1161 PolarHBondContact N-O 3.32Å; I1133-I1161 PolarHBondContact O-N 3.42Å; I1133-V1163 HydrophobicContact CB-CG2 4.34Å; I1133-V1163 HydrophobicContact CD1-CB 4.27Å; I1133-V1163 HydrophobicContact CD1-CG2 4.41Å; I1133-V1163 HydrophobicContact CG1-CB 4.49Å; I1133-V1163 HydrophobicContact CG1-CG2 4.37Å
1134G84.7Confident87.7Confident0 Ų041.9 Ų41.90%024%0.235CC..BIsolated β-bridgetrans-116.6-166.4179.100000114.8E1136 G1137G1134-E1136 WeakPolarHBondContact CA-OE2 3.48Å; G1134-E1136 PolarHBondContact O-N 2.85Å; G1134-G1137 PolarHBondContact O-N 3.37Å
1135P85.7Confident87.5Confident59 Ų5942.9 Ų42.938%0.38324%0.241SC..THydrogen-bonded Turntrans-62.4-19.5176.927.3-36000114.5G1137 Q1154 G1155 L1157P1135-G1137 PolarHBondContact O-N 3.4Å; P1135-Q1154 CarbonylContact O-C 3.54Å; P1135-Q1154 VanDerWaalsContact O-CG 3.31Å; P1135-Q1154 WeakPolarHBondContact O-CG 3.33Å; P1135-G1155 PolarHBondContact O-N 2.92Å; P1135-L1157 VanDerWaalsContact CA-O 3.27Å; P1135-L1157 WeakPolarHBondContact CA-O 3.44Å
1136E87.9Confident87.4Confident87 Ų8745.7 Ų45.741%0.40726%0.264SS..THydrogen-bonded Turntrans-59.2-26.7167.762.2-87.5-147.300113G1134 Q1154 R1160G1134-E1136 WeakPolarHBondContact CA-OE2 3.48Å; G1134-E1136 PolarHBondContact O-N 2.85Å; E1136-Q1154 WeakPolarHBondContact O-CA 3.4Å; E1136-R1160 IonicContact OE1-CZ 3.15Å; E1136-R1160 IonicContact OE1-NE 3.6Å; E1136-R1160 PolarHBondContact OE1-NE 3.26Å; E1136-R1160 IonicContact OE1-NH2 2.69Å; E1136-R1160 PolarHBondContact OE1-NH2 3.23Å; E1136-R1160 IonicContact OE2-NE 2.71Å
1137G84.6Confident87.4Confident11 Ų1149.6 Ų49.611%0.11329%0.285CS..BIsolated β-bridgetrans87.6-160.8-17100000112.5I1133 G1134 P1135 F1152I1133-G1137 WeakPolarHBondContact CG2-O 3.48Å; G1134-G1137 PolarHBondContact O-N 3.37Å; P1135-G1137 PolarHBondContact O-N 3.4Å; G1137-F1152 CarbonylContact C-O 3.38Å; G1137-F1152 VanDerWaalsContact CA-O 3.23Å; G1137-F1152 WeakPolarHBondContact CA-O 3.35Å
1138G88Confident87.4Confident32 Ų3247.2 Ų47.233%0.3327%0.274SS..EExtended strand (participates in β ladder)trans167178.6-179.200000113F1152G1138-F1152 PolarHBondContact N-O 3.18Å; G1138-F1152 PolarHBondContact O-N 2.9Å
1139T88.2Confident87.5Confident61 Ų6148.7 Ų48.737%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-134.2135167.9-56.70000108.7T1141 V1150 R1151T1139-T1141 HydrophobicContact CG2-CG2 4.45Å; T1139-V1150 WeakPolarHBondContact CA-O 3.3Å; T1139-R1151 HydrophobicContact CG2-CB 4.36Å; T1139-R1151 PolarHBondContact OG1-NE 3.18Å
1140L89.9Confident87.7Confident9 Ų947.1 Ų47.15%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-120.6115.6-176.9-156.7-178.5000107.7E1129 I1131 H1149 V1150 F1152 L1165E1129-L1140 HydrophobicContact CB-CD2 3.74Å; I1131-L1140 HydrophobicContact CG2-CB 4.29Å; I1131-L1140 HydrophobicContact CG2-CD1 3.72Å; I1131-L1140 HydrophobicContact CG2-CG 3.65Å; L1140-H1149 CarbonylContact O-C 3.56Å; L1140-H1149 WeakPolarHBondContact O-CA 3.37Å; L1140-V1150 PolarHBondContact N-O 3.5Å; L1140-V1150 PolarHBondContact O-N 3Å; L1140-F1152 HydrophobicContact CB-CE2 4.23Å; L1140-L1165 HydrophobicContact CD1-CB 3.96Å; L1140-L1165 HydrophobicContact CD2-CB 3.5Å; L1140-L1165 VanDerWaalsContact CD2-CB 3.5Å; L1140-L1165 HydrophobicContact CD2-CD2 3.85Å; L1140-L1165 HydrophobicContact CD2-CG 4.33Å; L1140-L1165 HydrophobicContact CG-CB 4.32Å
1141T89.8Confident88Confident81 Ų8150.1 Ų50.150%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-108.4138.8-175.549.50000110.8T1139 H1149T1139-T1141 HydrophobicContact CG2-CG2 4.45Å; T1141-H1149 HydrophobicContact CG2-CB 3.82Å
1142S89.6Confident88.2Confident4 Ų446.3 Ų46.33%0.02826%0.26CS..  trans-77.7137173.8-177.80000111.8V1144 V1145 P1146 V1148 V1167S1142-V1144 PolarHBondContact OG-N 3.42Å; S1142-V1144 VanDerWaalsContact OG-N 3.15Å; S1142-V1145 PolarHBondContact OG-N 3.3Å; S1142-P1146 WeakPolarHBondContact O-CA 3.23Å; S1142-V1148 PolarHBondContact N-O 2.84Å; S1142-V1167 WeakPolarHBondContact OG-CG2 3.34Å
1143T87.1Confident88.4Confident79 Ų7943.9 Ų43.949%0.48525%0.25SC..SBendtrans-85.8-11.2169.169.20000113.4K1127 E1129K1127-T1143 PolarHBondContact NZ-OG1 3.01Å; E1129-T1143 VanDerWaalsContact OE1-CB 3.29Å; E1129-T1143 WeakPolarHBondContact OE1-CB 3.44Å; E1129-T1143 WeakPolarHBondContact OE1-CG2 3.34Å; E1129-T1143 PolarHBondContact OE1-N 3.42Å; E1129-T1143 VanDerWaalsContact OE1-N 3.11Å; E1129-T1143 PolarHBondContact OE1-OG1 2.88Å
1144V84.8Confident88.4Confident24 Ų2448.3 Ų48.315%0.14527%0.271CS..SBendtrans-80.7-45.6177.5-172.40000110.2N1060 K1127 S1142 P1169N1060-V1144 WeakPolarHBondContact OD1-CG1 3.36Å; K1127-V1144 HydrophobicContact CB-CG2 4.06Å; K1127-V1144 HydrophobicContact CD-CG2 4Å; S1142-V1144 PolarHBondContact OG-N 3.42Å; S1142-V1144 VanDerWaalsContact OG-N 3.15Å; V1144-P1169 HydrophobicContact CG1-CG 4.06Å
1145V88.1Confident88.4Confident21 Ų2149.4 Ų49.413%0.12728%0.282CS..  trans-133.896.9175.5-173.90000108.4S1142 D1147 V1148 V1167 P1169 P1187 P1207S1142-V1145 PolarHBondContact OG-N 3.3Å; V1145-D1147 HydrophobicContact CG1-CB 4.34Å; V1145-D1147 PolarHBondContact O-N 3.43Å; V1145-D1147 VanDerWaalsContact O-N 3.1Å; V1145-V1148 HydrophobicContact CB-CG2 3.96Å; V1145-V1148 HydrophobicContact CG1-CG2 3.94Å; V1145-V1148 WeakPolarHBondContact O-CB 3.33Å; V1145-V1148 PolarHBondContact O-N 2.74Å; V1145-V1167 HydrophobicContact CB-CG1 4.1Å; V1145-V1167 HydrophobicContact CG2-CG1 3.84Å; V1145-P1169 HydrophobicContact CG2-CB 4.38Å; V1145-P1187 HydrophobicContact CG1-CG 4.26Å; V1145-P1187 HydrophobicContact CG2-CB 4.38Å; V1145-P1187 HydrophobicContact CG2-CG 3.92Å; V1145-P1207 HydrophobicContact CG1-CG 3.94Å
1146P86.7Confident88.4Confident96 Ų9646.6 Ų46.662%0.62326%0.264SS*.THydrogen-bonded Turntrans-57.9-25.8-174.9-29.137.1000115.3S1142 V1148S1142-P1146 WeakPolarHBondContact O-CA 3.23Å; P1146-V1148 PolarHBondContact O-N 3.45Å
1147D87.1Confident88.3Confident93 Ų9342.6 Ų42.650%0.49725%0.245SC..THydrogen-bonded Turntrans-66.6-11.9173.3-55.7-42.4000113.3V1145 P1207V1145-D1147 HydrophobicContact CG1-CB 4.34Å; V1145-D1147 PolarHBondContact O-N 3.43Å; V1145-D1147 VanDerWaalsContact O-N 3.1Å; D1147-P1207 HydrophobicContact CB-CB 4.01Å; D1147-P1207 HydrophobicContact CB-CG 4.11Å
1148V90.4Very high88.2Confident0 Ų048.6 Ų48.60%027%0.27CS..  trans-95.1111.2175.4-176.80000110.7S1142 V1145 P1146 L1165 V1167 V1189 T1205S1142-V1148 PolarHBondContact N-O 2.84Å; V1145-V1148 HydrophobicContact CB-CG2 3.96Å; V1145-V1148 HydrophobicContact CG1-CG2 3.94Å; V1145-V1148 WeakPolarHBondContact O-CB 3.33Å; V1145-V1148 PolarHBondContact O-N 2.74Å; P1146-V1148 PolarHBondContact O-N 3.45Å; V1148-L1165 HydrophobicContact CG1-CD2 4.39Å; V1148-V1167 HydrophobicContact CB-CG2 4.09Å; V1148-V1167 HydrophobicContact CG1-CG2 3.68Å; V1148-V1167 HydrophobicContact CG2-CG1 4.13Å; V1148-V1167 HydrophobicContact CG2-CG2 4.47Å; V1148-V1189 HydrophobicContact CG1-CB 4.35Å; V1148-V1189 HydrophobicContact CG1-CG1 3.72Å; V1148-V1189 HydrophobicContact CG1-CG2 3.61Å; V1148-V1189 HydrophobicContact CG2-CG2 4.1Å; V1148-T1205 VanDerWaalsContact CA-O 3.3Å; V1148-T1205 WeakPolarHBondContact CA-O 3.24Å
1149H90.7Very high88Confident61 Ų6151.9 Ų51.928%0.28228%0.275SS..EExtended strand (participates in β ladder)trans-140.9146.7174.366.545.7000113.1L1140 T1141 L1204 T1205L1140-H1149 CarbonylContact O-C 3.56Å; L1140-H1149 WeakPolarHBondContact O-CA 3.37Å; T1141-H1149 HydrophobicContact CG2-CB 3.82Å; H1149-L1204 CarbonylContact O-C 3.58Å; H1149-T1205 VanDerWaalsContact CE1-CB 3.42Å; H1149-T1205 WeakPolarHBondContact CE1-CB 3.29Å; H1149-T1205 PolarHBondContact CE1-OG1 3.26Å; H1149-T1205 PolarHBondContact N-O 2.81Å; H1149-T1205 PolarHBondContact O-N 3.24Å
1150V92.2Very high87.8Confident1 Ų156.9 Ų56.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-118.9115.1178.2-172.60000109.8T1139 L1140 F1152 L1165 I1191 I1202 T1203 L1204T1139-V1150 WeakPolarHBondContact CA-O 3.3Å; L1140-V1150 PolarHBondContact N-O 3.5Å; L1140-V1150 PolarHBondContact O-N 3Å; V1150-F1152 HydrophobicContact CB-CE2 3.92Å; V1150-F1152 HydrophobicContact CB-CZ 4.48Å; V1150-F1152 HydrophobicContact CG1-CD2 4.15Å; V1150-F1152 HydrophobicContact CG1-CE2 3.46Å; V1150-F1152 VanDerWaalsContact CG1-CE2 3.46Å; V1150-F1152 HydrophobicContact CG1-CZ 3.71Å; V1150-L1165 HydrophobicContact CG2-CD1 3.6Å; V1150-L1165 HydrophobicContact CG2-CD2 4.21Å; V1150-I1191 HydrophobicContact CG1-CD1 4.02Å; V1150-I1191 HydrophobicContact CG2-CD1 4.17Å; V1150-I1191 HydrophobicContact CG2-CG1 4.43Å; V1150-I1202 HydrophobicContact CG1-CB 4.25Å; V1150-I1202 HydrophobicContact CG1-CD1 3.77Å; V1150-T1203 CarbonylContact C-O 3.59Å; V1150-T1203 WeakPolarHBondContact CA-O 3.36Å; V1150-L1204 HydrophobicContact CG1-CG 4.38Å; V1150-L1204 HydrophobicContact CG2-CD2 4.1Å; V1150-L1204 HydrophobicContact CG2-CG 4Å
1151R92.3Very high87.6Confident145 Ų14558.2 Ų58.255%0.54729%0.294SS..EExtended strand (participates in β ladder)trans-97.9122.8175.5180170.9-72.7160.2-3110.8T1139 P1153 I1202 T1203T1139-R1151 HydrophobicContact CG2-CB 4.36Å; T1139-R1151 PolarHBondContact OG1-NE 3.18Å; R1151-P1153 WeakPolarHBondContact O-CD 3.44Å; R1151-I1202 WeakPolarHBondContact O-CA 3.29Å; R1151-T1203 PolarHBondContact N-O 2.83Å; R1151-T1203 PolarHBondContact O-N 3.43Å
1152F92Very high87.4Confident5 Ų562 Ų622%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-97.1107175.4-63.4-102.8000108I1133 G1137 G1138 L1140 V1150 A1156 V1163 F1198 I1202I1133-F1152 HydrophobicContact CD1-CD1 4.22Å; I1133-F1152 HydrophobicContact CD1-CD2 3.31Å; I1133-F1152 HydrophobicContact CD1-CE1 4.3Å; I1133-F1152 HydrophobicContact CD1-CE2 3.42Å; I1133-F1152 VanDerWaalsContact CD1-CE2 3.42Å; I1133-F1152 HydrophobicContact CD1-CG 3.77Å; I1133-F1152 HydrophobicContact CD1-CZ 3.95Å; I1133-F1152 HydrophobicContact CG2-CB 4.03Å; I1133-F1152 HydrophobicContact CG2-CD1 4.49Å; I1133-F1152 HydrophobicContact CG2-CG 4.15Å; G1137-F1152 CarbonylContact C-O 3.38Å; G1137-F1152 VanDerWaalsContact CA-O 3.23Å; G1137-F1152 WeakPolarHBondContact CA-O 3.35Å; G1138-F1152 PolarHBondContact N-O 3.18Å; G1138-F1152 PolarHBondContact O-N 2.9Å; L1140-F1152 HydrophobicContact CB-CE2 4.23Å; V1150-F1152 HydrophobicContact CB-CE2 3.92Å; V1150-F1152 HydrophobicContact CB-CZ 4.48Å; V1150-F1152 HydrophobicContact CG1-CD2 4.15Å; V1150-F1152 HydrophobicContact CG1-CE2 3.46Å; V1150-F1152 VanDerWaalsContact CG1-CE2 3.46Å; V1150-F1152 HydrophobicContact CG1-CZ 3.71Å; F1152-A1156 HydrophobicContact CB-CB 4.42Å; F1152-V1163 HydrophobicContact CE1-CG1 4.1Å; F1152-V1163 HydrophobicContact CZ-CG1 3.69Å; F1152-F1198 HydrophobicContact CD1-CE1 4.34Å; F1152-F1198 HydrophobicContact CE1-CD1 4.39Å; F1152-F1198 AromaticContact CE1-CE1 3.73Å; F1152-F1198 HydrophobicContact CE1-CE1 3.73Å; F1152-F1198 AromaticContact CE1-CZ 3.91Å; F1152-F1198 HydrophobicContact CE1-CZ 3.91Å; F1152-I1202 HydrophobicContact CB-CG2 4.48Å; F1152-I1202 HydrophobicContact CD1-CG2 3.45Å; F1152-I1202 VanDerWaalsContact CD1-CG2 3.45Å; F1152-I1202 HydrophobicContact CE1-CG2 3.74Å; F1152-I1202 HydrophobicContact CG-CG2 4.04Å
1153P89.9Confident87.3Confident48 Ų4861.8 Ų61.831%0.31230%0.298SS..  trans-67152.4176.328.2-34.5000110.9R1151 G1155 A1156 K1200 P1201R1151-P1153 WeakPolarHBondContact O-CD 3.44Å; P1153-G1155 PolarHBondContact O-N 3.42Å; P1153-A1156 HydrophobicContact CG-CB 4.22Å; P1153-A1156 WeakPolarHBondContact O-CB 3.28Å; P1153-A1156 PolarHBondContact O-N 3.12Å; P1153-K1200 HydrophobicContact CG-CB 3.99Å; P1153-P1201 WeakPolarHBondContact CD-O 3.23Å; P1153-P1201 VanDerWaalsContact CG-O 3.26Å; P1153-P1201 WeakPolarHBondContact CG-O 3.4Å
1154Q87.2Confident87.4Confident98 Ų9858.1 Ų58.146%0.45828%0.275SS..THydrogen-bonded Turntrans-49122.8176.4-170.9-170.723.300111.1P1135 E1136 K1200P1135-Q1154 CarbonylContact O-C 3.54Å; P1135-Q1154 VanDerWaalsContact O-CG 3.31Å; P1135-Q1154 WeakPolarHBondContact O-CG 3.33Å; E1136-Q1154 WeakPolarHBondContact O-CA 3.4Å; Q1154-K1200 VanDerWaalsContact O-CD 3.31Å; Q1154-K1200 WeakPolarHBondContact O-CD 3.21Å; Q1154-K1200 WeakPolarHBondContact O-CE 3.32Å; Q1154-K1200 PolarHBondContact O-NZ 3.18Å
1155G84.8Confident87.7Confident23 Ų2357 Ų5724%0.23727%0.269CS..THydrogen-bonded Turntrans81.718.1-175.100000115.4P1135 P1153 L1157P1135-G1155 PolarHBondContact O-N 2.92Å; P1153-G1155 PolarHBondContact O-N 3.42Å; G1155-L1157 VanDerWaalsContact C-N 3.31Å
1156A85.9Confident87.8Confident0 Ų056.7 Ų56.70%027%0.266CS..SBendtrans-71-28.5167.600000112.7F1152 P1153 H1199 K1200 I1202F1152-A1156 HydrophobicContact CB-CB 4.42Å; P1153-A1156 HydrophobicContact CG-CB 4.22Å; P1153-A1156 WeakPolarHBondContact O-CB 3.28Å; P1153-A1156 PolarHBondContact O-N 3.12Å; A1156-H1199 PolarHBondContact O-N 2.78Å; A1156-K1200 HydrophobicContact CB-CB 4.29Å; A1156-I1202 HydrophobicContact CB-CG2 4.29Å
1157L85.4Confident88.1Confident2 Ų252.2 Ų52.21%0.0124%0.237CC..  trans-120.6154172.5-65.7171.5000109.2I1133 P1135 G1155 I1161 V1163 F1198I1133-L1157 HydrophobicContact CB-CD1 3.82Å; I1133-L1157 HydrophobicContact CG2-CD1 3.92Å; I1133-L1157 WeakPolarHBondContact O-CD1 3.16Å; P1135-L1157 VanDerWaalsContact CA-O 3.27Å; P1135-L1157 WeakPolarHBondContact CA-O 3.44Å; G1155-L1157 VanDerWaalsContact C-N 3.31Å; L1157-I1161 HydrophobicContact CD2-CD1 4.24Å; L1157-V1163 HydrophobicContact CD1-CG2 4.01Å; L1157-F1198 HydrophobicContact CD2-CD1 3.75Å; L1157-F1198 HydrophobicContact CD2-CE1 3.94Å; L1157-F1198 HydrophobicContact CG-CD1 4.4Å
1158Q82.3Confident88.2Confident138 Ų13849 Ų4965%0.64522%0.218SC*.SBendtrans-99.9-23.7175.8-75.1177.3-29.600113.6H1199Q1158-H1199 PolarHBondContact NE2-CE1 2.85Å; Q1158-H1199 PolarHBondContact OE1-CE1 3.47Å; Q1158-H1199 VanDerWaalsContact OE1-CE1 3.3Å; Q1158-H1199 PolarHBondContact OE1-NE2 2.92Å
1159K83.5Confident88.1Confident100 Ų10050.8 Ų50.844%0.43523%0.23SC..SBendtrans-131.1153-179.9-62.4-171.4179.2-172.30109.4I1161 D1792K1159-I1161 HydrophobicContact CB-CD1 4.5Å; K1159-I1161 WeakPolarHBondContact O-CD1 3.47Å; K1159-I1161 WeakPolarHBondContact O-CG1 3.46Å; K1159-I1161 PolarHBondContact O-N 3.24Å; K1159-D1792 IonicContact NZ-OD2 3.51Å; K1159-D1792 PolarHBondContact NZ-OD2 2.76Å
1160R84.2Confident87.9Confident167 Ų16748.8 Ų48.863%0.6322%0.222SC*.  trans-65.8116.2172.9-83.7-179.8171.2173.6-3.3110.4L1132 I1133 E1136L1132-R1160 HydrophobicContact CD2-CB 4.05Å; L1132-R1160 HydrophobicContact CD2-CG 4.47Å; L1132-R1160 HydrophobicContact CG-CB 4.14Å; I1133-R1160 WeakPolarHBondContact O-CA 3.33Å; E1136-R1160 IonicContact OE1-CZ 3.15Å; E1136-R1160 IonicContact OE1-NE 3.6Å; E1136-R1160 PolarHBondContact OE1-NE 3.26Å; E1136-R1160 IonicContact OE1-NH2 2.69Å; E1136-R1160 PolarHBondContact OE1-NH2 3.23Å; E1136-R1160 IonicContact OE2-NE 2.71Å
1161I84.9Confident87.5Confident36 Ų3652.8 Ų52.819%0.18524%0.244CC..EExtended strand (participates in β ladder)trans-132.1142.6-173.1-67.2155.6000108.8L1132 I1133 L1157 K1159 V1163L1132-I1161 WeakPolarHBondContact CA-O 3.44Å; I1133-I1161 PolarHBondContact N-O 3.32Å; I1133-I1161 PolarHBondContact O-N 3.42Å; L1157-I1161 HydrophobicContact CD2-CD1 4.24Å; K1159-I1161 HydrophobicContact CB-CD1 4.5Å; K1159-I1161 WeakPolarHBondContact O-CD1 3.47Å; K1159-I1161 WeakPolarHBondContact O-CG1 3.46Å; K1159-I1161 PolarHBondContact O-N 3.24Å; I1161-V1163 HydrophobicContact CG2-CG2 4.48Å; I1161-V1163 PolarHBondContact O-N 3.41Å
1162R86.5Confident86.9Confident160 Ų16048.6 Ų48.660%0.60423%0.23SC*.EExtended strand (participates in β ladder)trans-69.1118169.1-73.2-175.3175.7-177-3.9108.5L1130 L1132L1130-R1162 HydrophobicContact CD2-CB 4.46Å; L1132-R1162 HydrophobicContact CD1-CG 3.87Å
1163V87.5Confident86.2Confident1 Ų155 Ų551%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-115.1133.4175.5-172.80000108.2I1131 I1133 F1152 L1157 I1161 I1191 E1192I1131-V1163 PolarHBondContact N-O 3.28Å; I1131-V1163 PolarHBondContact O-N 3.4Å; I1133-V1163 HydrophobicContact CB-CG2 4.34Å; I1133-V1163 HydrophobicContact CD1-CB 4.27Å; I1133-V1163 HydrophobicContact CD1-CG2 4.41Å; I1133-V1163 HydrophobicContact CG1-CB 4.49Å; I1133-V1163 HydrophobicContact CG1-CG2 4.37Å; F1152-V1163 HydrophobicContact CE1-CG1 4.1Å; F1152-V1163 HydrophobicContact CZ-CG1 3.69Å; L1157-V1163 HydrophobicContact CD1-CG2 4.01Å; I1161-V1163 HydrophobicContact CG2-CG2 4.48Å; I1161-V1163 PolarHBondContact O-N 3.41Å; V1163-I1191 HydrophobicContact CG1-CG2 3.93Å; V1163-E1192 WeakPolarHBondContact CG1-O 3.5Å
1164G88.3Confident85.9Confident1 Ų153.7 Ų53.71%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-105.7145.3179.200000112.2E1129 I1191 E1192E1129-G1164 CarbonylContact O-C 3.59Å; E1129-G1164 VanDerWaalsContact O-CA 3.31Å; E1129-G1164 WeakPolarHBondContact O-CA 3.35Å; G1164-I1191 WeakPolarHBondContact O-CA 3.41Å; G1164-E1192 PolarHBondContact N-O 3.31Å; G1164-E1192 PolarHBondContact O-N 2.93Å
1165L92.5Very high85.7Confident1 Ų149 Ų491%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-121.9112.5166.4-177.566.6000109.2E1129 L1140 V1148 V1150 V1167 V1189 T1190 I1191E1129-L1165 HydrophobicContact CB-CB 4.5Å; E1129-L1165 PolarHBondContact N-O 2.73Å; E1129-L1165 PolarHBondContact O-N 3.13Å; L1140-L1165 HydrophobicContact CD1-CB 3.96Å; L1140-L1165 HydrophobicContact CD2-CB 3.5Å; L1140-L1165 VanDerWaalsContact CD2-CB 3.5Å; L1140-L1165 HydrophobicContact CD2-CD2 3.85Å; L1140-L1165 HydrophobicContact CD2-CG 4.33Å; L1140-L1165 HydrophobicContact CG-CB 4.32Å; V1148-L1165 HydrophobicContact CG1-CD2 4.39Å; V1150-L1165 HydrophobicContact CG2-CD1 3.6Å; V1150-L1165 HydrophobicContact CG2-CD2 4.21Å; L1165-V1167 HydrophobicContact CD2-CG2 4.47Å; L1165-V1167 HydrophobicContact CG-CG2 4.17Å; L1165-V1189 HydrophobicContact CD1-CG1 3.49Å; L1165-V1189 VanDerWaalsContact CD1-CG1 3.49Å; L1165-T1190 WeakPolarHBondContact CA-O 3.44Å; L1165-I1191 HydrophobicContact CD1-CG1 4.26Å
1166Q90.6Very high85.5Confident15 Ų1550 Ų507%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-97.2141.6168.4-49.2168-20.200109.3I1126 K1127 Q1128 V1189 T1190I1126-Q1166 HydrophobicContact CG2-CB 4.11Å; K1127-Q1166 VanDerWaalsContact O-CA 3.3Å; K1127-Q1166 WeakPolarHBondContact O-CA 3.18Å; Q1128-Q1166 HydrophobicContact CB-CG 3.86Å; Q1128-Q1166 HydrophobicContact CG-CG 3.77Å; Q1166-V1189 WeakPolarHBondContact O-CA 3.45Å; Q1166-T1190 PolarHBondContact N-O 2.94Å; Q1166-T1190 PolarHBondContact O-N 3.05Å; Q1166-T1190 VanDerWaalsContact OE1-CB 3.3Å; Q1166-T1190 PolarHBondContact OE1-OG1 3.37Å
1167V91.1Very high85.1Confident1 Ų155 Ų551%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-133.5113.5173.1-177.50000110.1S1142 V1145 V1148 L1165 P1169 P1187 I1188 V1189S1142-V1167 WeakPolarHBondContact OG-CG2 3.34Å; V1145-V1167 HydrophobicContact CB-CG1 4.1Å; V1145-V1167 HydrophobicContact CG2-CG1 3.84Å; V1148-V1167 HydrophobicContact CB-CG2 4.09Å; V1148-V1167 HydrophobicContact CG1-CG2 3.68Å; V1148-V1167 HydrophobicContact CG2-CG1 4.13Å; V1148-V1167 HydrophobicContact CG2-CG2 4.47Å; L1165-V1167 HydrophobicContact CD2-CG2 4.47Å; L1165-V1167 HydrophobicContact CG-CG2 4.17Å; V1167-P1169 WeakPolarHBondContact O-CD 3.4Å; V1167-P1187 HydrophobicContact CG1-CB 3.63Å; V1167-I1188 CarbonylContact C-O 3.48Å; V1167-I1188 WeakPolarHBondContact CA-O 3.1Å; V1167-V1189 HydrophobicContact CG1-CG2 4.42Å; V1167-V1189 HydrophobicContact CG2-CG1 4.42Å; V1167-V1189 HydrophobicContact CG2-CG2 4.31Å
1168H90.1Very high84.7Confident25 Ų2557.7 Ų57.712%0.11626%0.262CS..EExtended strand (participates in β ladder)trans-102.9102177.8-174.352.6000110.2I1126 V1170 P1187 I1188 S1296I1126-H1168 HydrophobicContact CD1-CB 4.07Å; I1126-H1168 HydrophobicContact CG1-CB 4.48Å; I1126-H1168 HydrophobicContact CG2-CB 3.97Å; H1168-V1170 PolarHBondContact O-N 3.49Å; H1168-P1187 CarbonylContact O-C 3.54Å; H1168-P1187 WeakPolarHBondContact O-CA 3.32Å; H1168-I1188 HydrophobicContact CB-CB 4.3Å; H1168-I1188 PolarHBondContact N-O 2.93Å; H1168-I1188 PolarHBondContact O-N 2.97Å; H1168-S1296 PolarHBondContact CE1-O 3.3Å; H1168-S1296 VanDerWaalsContact CE1-O 3.25Å; H1168-S1296 PolarHBondContact NE2-O 3.39Å
1169P87.8Confident84.7Confident38 Ų3852.7 Ų52.725%0.24724%0.24CC..  trans-74.1114.817629.4-31.9000110.2N1060 V1144 V1145 V1167N1060-P1169 HydrophobicContact CB-CG 4.36Å; N1060-P1169 VanDerWaalsContact CG-CG 3.48Å; N1060-P1169 VanDerWaalsContact OD1-CG 3.23Å; N1060-P1169 WeakPolarHBondContact OD1-CG 3.44Å; V1144-P1169 HydrophobicContact CG1-CG 4.06Å; V1145-P1169 HydrophobicContact CG2-CB 4.38Å; V1167-P1169 WeakPolarHBondContact O-CD 3.4Å
1170V88Confident84.3Confident20 Ų2049 Ų4912%0.12123%0.231CC..  trans-81.8131.3175.7-178.70000109.5H1168 L1174 V1175 V1185 I1188 W1275 V1292H1168-V1170 PolarHBondContact O-N 3.49Å; V1170-L1174 HydrophobicContact CG1-CD2 4.35Å; V1170-V1175 HydrophobicContact CG1-CG2 3.96Å; V1170-V1185 HydrophobicContact CB-CG2 3.69Å; V1170-V1185 HydrophobicContact CG1-CG2 3.81Å; V1170-V1185 HydrophobicContact CG2-CG2 4.45Å; V1170-I1188 HydrophobicContact CG2-CD1 3.86Å; V1170-I1188 HydrophobicContact CG2-CG1 3.86Å; V1170-W1275 HydrophobicContact CG2-CE3 4.41Å; V1170-W1275 HydrophobicContact CG2-CZ3 4.04Å; V1170-V1292 HydrophobicContact CG1-CG1 3.86Å
1171D82.7Confident83.8Confident85 Ų8545.6 Ų45.646%0.45523%0.23SC..  trans-67.5138.8-179.917139.4000112.5E1173 L1174 V1175D1171-E1173 VanDerWaalsContact CG-N 3.32Å; D1171-E1173 PolarHBondContact OD1-N 2.86Å; D1171-E1173 WeakPolarHBondContact OD2-CA 3.39Å; D1171-E1173 VanDerWaalsContact OD2-CB 3.31Å; D1171-E1173 WeakPolarHBondContact OD2-CB 3.48Å; D1171-E1173 PolarHBondContact OD2-N 2.69Å; D1171-L1174 HydrophobicContact CB-CB 4.08Å; D1171-L1174 WeakPolarHBondContact O-CB 3.5Å; D1171-L1174 PolarHBondContact OD2-N 2.86Å; D1171-V1175 WeakPolarHBondContact O-CG2 3.19Å; D1171-V1175 PolarHBondContact O-N 2.8Å
1172H80.3Confident83.3Confident57 Ų5753 Ų5326%0.26426%0.256SS..Hα-helixtrans-73-30.6177.6-168.1-72.3000112T1176H1172-T1176 PolarHBondContact CE1-OG1 3.17Å; H1172-T1176 PolarHBondContact ND1-OG1 2.91Å; H1172-T1176 VanDerWaalsContact ND1-OG1 3.16Å; H1172-T1176 VanDerWaalsContact O-CB 3.23Å; H1172-T1176 WeakPolarHBondContact O-CB 3.38Å; H1172-T1176 PolarHBondContact O-N 2.88Å; H1172-T1176 PolarHBondContact O-OG1 2.96Å
1173E77Confident83.1Confident140 Ų14045.8 Ų45.865%0.65423%0.229SC*.Hα-helixtrans-70.3-39.9176.2-169.5170176.600110.8D1171 V1175 T1176 R1177D1171-E1173 VanDerWaalsContact CG-N 3.32Å; D1171-E1173 PolarHBondContact OD1-N 2.86Å; D1171-E1173 WeakPolarHBondContact OD2-CA 3.39Å; D1171-E1173 VanDerWaalsContact OD2-CB 3.31Å; D1171-E1173 WeakPolarHBondContact OD2-CB 3.48Å; D1171-E1173 PolarHBondContact OD2-N 2.69Å; E1173-V1175 PolarHBondContact O-N 3.13Å; E1173-T1176 PolarHBondContact O-N 3.19Å; E1173-R1177 VanDerWaalsContact O-CB 3.27Å; E1173-R1177 WeakPolarHBondContact O-CB 3.2Å; E1173-R1177 PolarHBondContact O-N 3.48Å
1174L82.8Confident82.9Confident20 Ų2045.8 Ų45.811%0.10523%0.229CC..Hα-helixtrans-50.9-55.7168.4-171.265.8000112.7V1170 D1171 T1176 R1177 M1178 E1295V1170-L1174 HydrophobicContact CG1-CD2 4.35Å; D1171-L1174 HydrophobicContact CB-CB 4.08Å; D1171-L1174 WeakPolarHBondContact O-CB 3.5Å; D1171-L1174 PolarHBondContact OD2-N 2.86Å; L1174-T1176 VanDerWaalsContact C-N 3.34Å; L1174-T1176 PolarHBondContact O-N 3.04Å; L1174-R1177 WeakPolarHBondContact O-CB 3.28Å; L1174-R1177 PolarHBondContact O-N 3.34Å; L1174-M1178 HydrophobicContact CD1-SD 4.37Å; L1174-M1178 HydrophobicContact CG-SD 4.41Å; L1174-M1178 WeakPolarHBondContact O-CG 3.35Å; L1174-M1178 PolarHBondContact O-N 3.44Å; L1174-E1295 HydrophobicContact CD1-CG 3.96Å
1175V83.7Confident83Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-63.3-41.4179.5-1790000111.4V1170 D1171 E1173 R1177 M1178 L1179 V1183 V1185 V1292V1170-V1175 HydrophobicContact CG1-CG2 3.96Å; D1171-V1175 WeakPolarHBondContact O-CG2 3.19Å; D1171-V1175 PolarHBondContact O-N 2.8Å; E1173-V1175 PolarHBondContact O-N 3.13Å; V1175-R1177 VanDerWaalsContact C-N 3.26Å; V1175-R1177 PolarHBondContact O-N 3Å; V1175-M1178 PolarHBondContact O-N 3.49Å; V1175-L1179 HydrophobicContact CG1-CD1 4.33Å; V1175-L1179 WeakPolarHBondContact O-CB 3.5Å; V1175-L1179 PolarHBondContact O-N 3.01Å; V1175-V1183 HydrophobicContact CG1-CB 4.04Å; V1175-V1183 HydrophobicContact CG1-CG1 4Å; V1175-V1183 WeakPolarHBondContact CG1-O 3.42Å; V1175-V1185 HydrophobicContact CG1-CG1 4.39Å; V1175-V1185 HydrophobicContact CG2-CG1 4.09Å; V1175-V1185 HydrophobicContact CG2-CG2 3.83Å; V1175-V1292 HydrophobicContact CG2-CG1 3.82Å; V1175-V1292 HydrophobicContact CG2-CG2 4.44Å
1176T81.3Confident82.9Confident44 Ų4446.7 Ų46.727%0.2724%0.235SC..Hα-helixtrans-61.8-35.3177.2-61.70000111.9H1172 E1173 L1174 G1180 P1181H1172-T1176 PolarHBondContact CE1-OG1 3.17Å; H1172-T1176 PolarHBondContact ND1-OG1 2.91Å; H1172-T1176 VanDerWaalsContact ND1-OG1 3.16Å; H1172-T1176 VanDerWaalsContact O-CB 3.23Å; H1172-T1176 WeakPolarHBondContact O-CB 3.38Å; H1172-T1176 PolarHBondContact O-N 2.88Å; H1172-T1176 PolarHBondContact O-OG1 2.96Å; E1173-T1176 PolarHBondContact O-N 3.19Å; L1174-T1176 VanDerWaalsContact C-N 3.34Å; L1174-T1176 PolarHBondContact O-N 3.04Å; T1176-G1180 CarbonylContact O-C 3.53Å; T1176-G1180 WeakPolarHBondContact O-CA 3.16Å; T1176-G1180 PolarHBondContact O-N 2.89Å; T1176-P1181 HydrophobicContact CG2-CB 3.9Å
1177R76.4Confident82.9Confident103 Ų10346.8 Ų46.839%0.38924%0.237SC..Hα-helixtrans-74.9-46.1179.3-164-158.1-43132.55.2112.4E1173 L1174 V1175 H1408E1173-R1177 VanDerWaalsContact O-CB 3.27Å; E1173-R1177 WeakPolarHBondContact O-CB 3.2Å; E1173-R1177 PolarHBondContact O-N 3.48Å; L1174-R1177 WeakPolarHBondContact O-CB 3.28Å; L1174-R1177 PolarHBondContact O-N 3.34Å; V1175-R1177 VanDerWaalsContact C-N 3.26Å; V1175-R1177 PolarHBondContact O-N 3Å; R1177-H1408 VanDerWaalsContact CD-NE2 3.3Å; R1177-H1408 WeakPolarHBondContact CD-NE2 3.45Å; R1177-H1408 PolarHBondContact NE-NE2 2.92Å
1178M77.7Confident83Confident59 Ų5946.9 Ų46.929%0.29124%0.237SC..Hα-helixtrans-77.1-40.4-177.4-63.4-17491.700113L1174 V1175 R1291 V1292 E1295L1174-M1178 HydrophobicContact CD1-SD 4.37Å; L1174-M1178 HydrophobicContact CG-SD 4.41Å; L1174-M1178 WeakPolarHBondContact O-CG 3.35Å; L1174-M1178 PolarHBondContact O-N 3.44Å; V1175-M1178 PolarHBondContact O-N 3.49Å; M1178-R1291 HydrophobicContact CE-CB 4.43Å; M1178-V1292 HydrophobicContact SD-CG2 4.11Å; M1178-E1295 HydrophobicContact CE-CB 3.69Å; M1178-E1295 HydrophobicContact CE-CG 3.95Å; M1178-E1295 WeakPolarHBondContact CE-OE2 3.39Å; M1178-E1295 HydrophobicContact SD-CB 3.72Å; M1178-E1295 HydrophobicContact SD-CG 3.87Å
1179L81.3Confident83.1Confident33 Ų3345.7 Ų45.717%0.17323%0.231CC..Hα-helixtrans-120.2-4.2-167.7-50.2-168.9000114V1175 V1183 L1288 V1292V1175-L1179 HydrophobicContact CG1-CD1 4.33Å; V1175-L1179 WeakPolarHBondContact O-CB 3.5Å; V1175-L1179 PolarHBondContact O-N 3.01Å; L1179-V1183 HydrophobicContact CB-CB 3.94Å; L1179-V1183 HydrophobicContact CB-CG1 4.48Å; L1179-V1183 HydrophobicContact CB-CG2 3.85Å; L1179-V1183 HydrophobicContact CD1-CB 4.16Å; L1179-V1183 HydrophobicContact CD1-CG1 3.77Å; L1179-V1183 HydrophobicContact CD1-CG2 4.34Å; L1179-L1288 HydrophobicContact CD1-CB 3.85Å; L1179-L1288 HydrophobicContact CD1-CD2 4.37Å; L1179-L1288 HydrophobicContact CD2-CB 4.24Å; L1179-L1288 HydrophobicContact CD2-CD2 3.55Å; L1179-L1288 HydrophobicContact CD2-CG 4.49Å; L1179-L1288 HydrophobicContact CG-CD2 4.46Å; L1179-V1292 HydrophobicContact CD1-CG2 3.52Å; L1179-V1292 HydrophobicContact CD2-CG2 4.18Å; L1179-V1292 HydrophobicContact CG-CG2 3.72Å
1180G74.8Confident83.3Confident24 Ų2444.1 Ų44.125%0.24722%0.221CC..  trans82.9159.1-176.100000113.8T1176 R1182 V1183T1176-G1180 CarbonylContact O-C 3.53Å; T1176-G1180 WeakPolarHBondContact O-CA 3.16Å; T1176-G1180 PolarHBondContact O-N 2.89Å; G1180-R1182 PolarHBondContact O-N 2.7Å; G1180-V1183 PolarHBondContact O-N 2.96Å; G1180-V1183 VanDerWaalsContact O-N 3.14Å
1181P74.9Confident83.4Confident95 Ų9543.2 Ų43.262%0.61722%0.216SC*.THydrogen-bonded Turntrans-68.96.6-171.829-37.6000115.2T1176T1176-P1181 HydrophobicContact CG2-CB 3.9Å
1182R74.8Confident83.6Confident192 Ų19240.6 Ų40.673%0.72520%0.201SC*.THydrogen-bonded Turntrans-93.8-15.6174.7-49.7-172.9-165.6167.76.8112.7G1180 P1280G1180-R1182 PolarHBondContact O-N 2.7Å; R1182-P1280 HydrophobicContact CB-CG 3.82Å; R1182-P1280 VanDerWaalsContact O-CD 3.3Å; R1182-P1280 WeakPolarHBondContact O-CD 3.29Å
1183V80.6Confident83.8Confident8 Ų840.7 Ų40.75%0.04821%0.206CC..  trans-99.4136174.2-169.80000108.6V1175 L1179 G1180 V1277 D1278 C1279V1175-V1183 HydrophobicContact CG1-CB 4.04Å; V1175-V1183 HydrophobicContact CG1-CG1 4Å; V1175-V1183 WeakPolarHBondContact CG1-O 3.42Å; L1179-V1183 HydrophobicContact CB-CB 3.94Å; L1179-V1183 HydrophobicContact CB-CG1 4.48Å; L1179-V1183 HydrophobicContact CB-CG2 3.85Å; L1179-V1183 HydrophobicContact CD1-CB 4.16Å; L1179-V1183 HydrophobicContact CD1-CG1 3.77Å; L1179-V1183 HydrophobicContact CD1-CG2 4.34Å; G1180-V1183 PolarHBondContact O-N 2.96Å; G1180-V1183 VanDerWaalsContact O-N 3.14Å; V1183-V1277 HydrophobicContact CG1-CG1 4.19Å; V1183-D1278 CarbonylContact C-O 3.49Å; V1183-D1278 VanDerWaalsContact CA-O 3.27Å; V1183-D1278 WeakPolarHBondContact CA-O 3.17Å; V1183-C1279 HydrophobicContact CG1-CB 4Å; V1183-C1279 HydrophobicContact CG2-CB 4.35Å
1184S84.1Confident84.1Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-141.3158.1169.268.80000110.5P1209 T1211 D1278S1184-P1209 WeakPolarHBondContact OG-CB 3.44Å; S1184-T1211 WeakPolarHBondContact CB-OG1 3.48Å; S1184-T1211 VanDerWaalsContact OG-CB 3.31Å; S1184-T1211 WeakPolarHBondContact OG-CB 3.28Å; S1184-T1211 PolarHBondContact OG-N 3.3Å; S1184-T1211 PolarHBondContact OG-OG1 3.39Å; S1184-D1278 PolarHBondContact N-O 3.26Å; S1184-D1278 PolarHBondContact O-N 3.47Å
1185V89.5Confident84.1Confident18 Ų1841.2 Ų41.211%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-130.8162.5-176.5-52.60000111.6V1170 V1175 W1275 L1276 V1277V1170-V1185 HydrophobicContact CB-CG2 3.69Å; V1170-V1185 HydrophobicContact CG1-CG2 3.81Å; V1170-V1185 HydrophobicContact CG2-CG2 4.45Å; V1175-V1185 HydrophobicContact CG1-CG1 4.39Å; V1175-V1185 HydrophobicContact CG2-CG1 4.09Å; V1175-V1185 HydrophobicContact CG2-CG2 3.83Å; V1185-W1275 HydrophobicContact CB-CE3 3.8Å; V1185-W1275 HydrophobicContact CB-CZ3 3.88Å; V1185-W1275 HydrophobicContact CG1-CE3 4.09Å; V1185-W1275 HydrophobicContact CG1-CZ3 3.79Å; V1185-W1275 HydrophobicContact CG2-CE3 4.14Å; V1185-W1275 HydrophobicContact CG2-CZ3 3.97Å; V1185-L1276 CarbonylContact C-O 3.43Å; V1185-L1276 WeakPolarHBondContact CA-O 3.46Å; V1185-V1277 HydrophobicContact CG1-CB 4.38Å; V1185-V1277 HydrophobicContact CG1-CG1 4.18Å; V1185-V1277 HydrophobicContact CG1-CG2 3.96Å
1186S91Very high84.1Confident3 Ų345.7 Ų45.72%0.02122%0.218CC..PPolyproline II helixtrans-89.2172.7163.9760000110.6I1206 P1207 L1276S1186-I1206 WeakPolarHBondContact OG-CG2 3.36Å; S1186-P1207 WeakPolarHBondContact CB-O 3.37Å; S1186-L1276 PolarHBondContact N-O 3.46Å; S1186-L1276 PolarHBondContact OG-N 3.12Å
1187P90.9Very high84.3Confident17 Ų1747.4 Ų47.411%0.1122%0.222CC..PPolyproline II helixtrans-55151.7161.4-22.234.3000111.8V1145 V1167 H1168 P1207V1145-P1187 HydrophobicContact CG1-CG 4.26Å; V1145-P1187 HydrophobicContact CG2-CB 4.38Å; V1145-P1187 HydrophobicContact CG2-CG 3.92Å; V1167-P1187 HydrophobicContact CG1-CB 3.63Å; H1168-P1187 CarbonylContact O-C 3.54Å; H1168-P1187 WeakPolarHBondContact O-CA 3.32Å; P1187-P1207 HydrophobicContact CG-CG 4.18Å
1188I92.3Very high84.8Confident3 Ų342.9 Ų42.92%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-91.3126.7172.7-49.6-178.6000109.2V1167 H1168 V1170 W1248 R1273 W1275 Y1293V1167-I1188 CarbonylContact C-O 3.48Å; V1167-I1188 WeakPolarHBondContact CA-O 3.1Å; H1168-I1188 HydrophobicContact CB-CB 4.3Å; H1168-I1188 PolarHBondContact N-O 2.93Å; H1168-I1188 PolarHBondContact O-N 2.97Å; V1170-I1188 HydrophobicContact CG2-CD1 3.86Å; V1170-I1188 HydrophobicContact CG2-CG1 3.86Å; I1188-W1248 HydrophobicContact CD1-CZ2 4.43Å; I1188-W1248 HydrophobicContact CG2-CH2 3.83Å; I1188-W1248 HydrophobicContact CG2-CZ2 4.46Å; I1188-R1273 HydrophobicContact CG2-CB 4.39Å; I1188-W1275 HydrophobicContact CB-CB 4.36Å; I1188-W1275 HydrophobicContact CD1-CD2 3.89Å; I1188-W1275 HydrophobicContact CD1-CE3 3.78Å; I1188-W1275 HydrophobicContact CD1-CG 4.47Å; I1188-W1275 HydrophobicContact CD1-CH2 4.06Å; I1188-W1275 HydrophobicContact CD1-CZ2 4.14Å; I1188-W1275 HydrophobicContact CD1-CZ3 3.88Å; I1188-W1275 HydrophobicContact CG1-CB 3.95Å; I1188-W1275 HydrophobicContact CG1-CD2 3.66Å; I1188-W1275 HydrophobicContact CG1-CE3 3.53Å; I1188-W1275 HydrophobicContact CG1-CG 3.91Å; I1188-W1275 HydrophobicContact CG1-CZ3 4.11Å; I1188-Y1293 HydrophobicContact CD1-CD2 3.45Å; I1188-Y1293 VanDerWaalsContact CD1-CD2 3.45Å; I1188-Y1293 HydrophobicContact CD1-CE2 3.86Å
1189V93Very high85.1Confident0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-117108.4-170.6-177.40000109V1148 L1165 Q1166 V1167 L1204 I1206 R1273 L1274V1148-V1189 HydrophobicContact CG1-CB 4.35Å; V1148-V1189 HydrophobicContact CG1-CG1 3.72Å; V1148-V1189 HydrophobicContact CG1-CG2 3.61Å; V1148-V1189 HydrophobicContact CG2-CG2 4.1Å; L1165-V1189 HydrophobicContact CD1-CG1 3.49Å; L1165-V1189 VanDerWaalsContact CD1-CG1 3.49Å; Q1166-V1189 WeakPolarHBondContact O-CA 3.45Å; V1167-V1189 HydrophobicContact CG1-CG2 4.42Å; V1167-V1189 HydrophobicContact CG2-CG1 4.42Å; V1167-V1189 HydrophobicContact CG2-CG2 4.31Å; V1189-L1204 HydrophobicContact CG1-CD2 3.99Å; V1189-I1206 HydrophobicContact CB-CD1 3.89Å; V1189-I1206 HydrophobicContact CG2-CD1 3.59Å; V1189-I1206 HydrophobicContact CG2-CG1 3.92Å; V1189-I1206 HydrophobicContact CG2-CG2 4.35Å; V1189-R1273 CarbonylContact O-C 3.44Å; V1189-R1273 WeakPolarHBondContact O-CA 3.08Å; V1189-L1274 PolarHBondContact N-O 2.92Å; V1189-L1274 PolarHBondContact O-N 3.48Å
1190T91.5Very high85.4Confident6 Ų648.1 Ų48.14%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-98.5134175.9-50.60000110L1165 Q1166 E1192 R1194 A1272 R1273L1165-T1190 WeakPolarHBondContact CA-O 3.44Å; Q1166-T1190 PolarHBondContact N-O 2.94Å; Q1166-T1190 PolarHBondContact O-N 3.05Å; Q1166-T1190 VanDerWaalsContact OE1-CB 3.3Å; Q1166-T1190 PolarHBondContact OE1-OG1 3.37Å; T1190-E1192 HydrophobicContact CG2-CG 4.05Å; T1190-R1194 HydrophobicContact CG2-CG 3.92Å; T1190-A1272 WeakPolarHBondContact CA-O 3.47Å; T1190-R1273 HydrophobicContact CG2-CG 3.83Å; T1190-R1273 WeakPolarHBondContact OG1-CG 3.48Å
1191I91.6Very high86Confident1 Ų150 Ų501%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-104.2123.4164.9-57.5172.2000108.6V1150 V1163 G1164 L1165 R1194 F1198 I1202 L1204 S1271 A1272V1150-I1191 HydrophobicContact CG1-CD1 4.02Å; V1150-I1191 HydrophobicContact CG2-CD1 4.17Å; V1150-I1191 HydrophobicContact CG2-CG1 4.43Å; V1163-I1191 HydrophobicContact CG1-CG2 3.93Å; G1164-I1191 WeakPolarHBondContact O-CA 3.41Å; L1165-I1191 HydrophobicContact CD1-CG1 4.26Å; I1191-R1194 WeakPolarHBondContact O-CG 2.99Å; I1191-F1198 HydrophobicContact CG2-CZ 4.23Å; I1191-I1202 HydrophobicContact CD1-CD1 3.29Å; I1191-L1204 HydrophobicContact CD1-CD1 4.14Å; I1191-L1204 HydrophobicContact CD1-CD2 3.93Å; I1191-L1204 HydrophobicContact CD1-CG 4.17Å; I1191-S1271 WeakPolarHBondContact O-CB 3.4Å; I1191-A1272 PolarHBondContact N-O 2.89Å
1192E86.3Confident86.8Confident29 Ų2945.5 Ų45.514%0.13621%0.205CC..EExtended strand (participates in β ladder)trans-107.4148.9175.7-70.3-67.4-17500111.6V1163 G1164 T1190 R1194V1163-E1192 WeakPolarHBondContact CG1-O 3.5Å; G1164-E1192 PolarHBondContact N-O 3.31Å; G1164-E1192 PolarHBondContact O-N 2.93Å; T1190-E1192 HydrophobicContact CG2-CG 4.05Å; E1192-R1194 IonicContact OE1-CZ 2.79Å; E1192-R1194 IonicContact OE1-NE 3.17Å; E1192-R1194 PolarHBondContact OE1-NE 3.44Å; E1192-R1194 IonicContact OE1-NH2 3.47Å; E1192-R1194 PolarHBondContact OE1-NH2 3.39Å; E1192-R1194 WeakPolarHBondContact OE2-CG 3.42Å; E1192-R1194 PolarHBondContact OE2-N 2.87Å; E1192-R1194 IonicContact OE2-NE 2.73Å
1193P84.1Confident87.6Confident59 Ų5938.8 Ų38.838%0.38319%0.185SC..SBendcis-72.2127.7-6.629.3-34.1000111.7R1196 S1271P1193-R1196 WeakPolarHBondContact O-CB 3.41Å; P1193-S1271 PolarHBondContact O-OG 2.77Å
1194R83.1Confident88.2Confident18 Ų1838.4 Ų38.47%0.06818%0.183CC..THydrogen-bonded Turntrans-55.3157178.1-77.8173.9-72.9134.5-3.8112.1N1023 T1190 I1191 E1192 R1196 A1240 G1242 S1271N1023-R1194 PolarHBondContact OD1-NH2 3.36Å; T1190-R1194 HydrophobicContact CG2-CG 3.92Å; I1191-R1194 WeakPolarHBondContact O-CG 2.99Å; E1192-R1194 IonicContact OE1-CZ 2.79Å; E1192-R1194 IonicContact OE1-NE 3.17Å; E1192-R1194 PolarHBondContact OE1-NE 3.44Å; E1192-R1194 IonicContact OE1-NH2 3.47Å; E1192-R1194 PolarHBondContact OE1-NH2 3.39Å; E1192-R1194 WeakPolarHBondContact OE2-CG 3.42Å; E1192-R1194 PolarHBondContact OE2-N 2.87Å; E1192-R1194 IonicContact OE2-NE 2.73Å; R1194-R1196 VanDerWaalsContact C-N 3.25Å; R1194-R1196 PolarHBondContact O-N 2.83Å; R1194-A1240 VanDerWaalsContact CD-O 3.29Å; R1194-A1240 WeakPolarHBondContact CD-O 3.42Å; R1194-A1240 PolarHBondContact NH1-O 3.37Å; R1194-G1242 PolarHBondContact NH1-O 3.28Å; R1194-G1242 PolarHBondContact NH2-O 2.91Å; R1194-S1271 WeakPolarHBondContact CA-OG 3.46Å
1195R82.6Confident88.6Confident153 Ų15338.5 Ų38.558%0.57718%0.183SC*.THydrogen-bonded Turntrans66.2-0.6-174-60.8-172.6168.6-138.4-13.6117.4K1197 I1239 S1271R1195-K1197 PolarHBondContact O-N 3.43Å; R1195-I1239 WeakPolarHBondContact CG-O 3.25Å; R1195-I1239 PolarHBondContact NE-O 2.99Å; R1195-I1239 PolarHBondContact NH2-O 3.3Å; R1195-S1271 PolarHBondContact N-O 3.44Å; R1195-S1271 PolarHBondContact N-OG 2.95Å
1196R84.7Confident88.7Confident94 Ų9437.6 Ų37.636%0.35518%0.178SC..PPolyproline II helixtrans-70118.1172.3175.8166.6-94.5-77.72.2111.7P1193 R1194 F1198 V1270 S1271P1193-R1196 WeakPolarHBondContact O-CB 3.41Å; R1194-R1196 VanDerWaalsContact C-N 3.25Å; R1194-R1196 PolarHBondContact O-N 2.83Å; R1196-F1198 HydrophobicContact CG-CE1 4.45Å; R1196-V1270 WeakPolarHBondContact O-CA 3.39Å; R1196-S1271 WeakPolarHBondContact CA-OG 3.49Å; R1196-S1271 WeakPolarHBondContact CB-OG 3.42Å; R1196-S1271 PolarHBondContact N-OG 3.32Å; R1196-S1271 PolarHBondContact O-N 2.97Å; R1196-S1271 PolarHBondContact O-OG 3.18Å
1197K85.1Confident88.6Confident80 Ų8038.3 Ų38.335%0.34818%0.182SC..EExtended strand (participates in β ladder)trans-70.7136.8168.3-176.9-176.8177.1-178.30109.9R1195 R1964 L1966 S1967R1195-K1197 PolarHBondContact O-N 3.43Å; K1197-R1964 HydrophobicContact CD-CB 4.46Å; K1197-R1964 HydrophobicContact CD-CG 3.82Å; K1197-R1964 HydrophobicContact CG-CG 4.33Å; K1197-L1966 PolarHBondContact NZ-O 3.05Å; K1197-S1967 PolarHBondContact NZ-OG 3.23Å; K1197-S1967 VanDerWaalsContact NZ-OG 3.16Å
1198F86.7Confident88.3Confident8 Ų837.9 Ų37.94%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-99.7146.8171.4-57.4-69.4000110.5F1152 L1157 I1191 R1196 K1200 I1202 T1269F1152-F1198 HydrophobicContact CD1-CE1 4.34Å; F1152-F1198 HydrophobicContact CE1-CD1 4.39Å; F1152-F1198 AromaticContact CE1-CE1 3.73Å; F1152-F1198 HydrophobicContact CE1-CE1 3.73Å; F1152-F1198 AromaticContact CE1-CZ 3.91Å; F1152-F1198 HydrophobicContact CE1-CZ 3.91Å; L1157-F1198 HydrophobicContact CD2-CD1 3.75Å; L1157-F1198 HydrophobicContact CD2-CE1 3.94Å; L1157-F1198 HydrophobicContact CG-CD1 4.4Å; I1191-F1198 HydrophobicContact CG2-CZ 4.23Å; R1196-F1198 HydrophobicContact CG-CE1 4.45Å; F1198-K1200 VanDerWaalsContact C-N 3.32Å; F1198-K1200 WeakPolarHBondContact CB-O 3.25Å; F1198-I1202 HydrophobicContact CB-CG2 4.38Å; F1198-I1202 HydrophobicContact CD1-CG2 4.29Å; F1198-I1202 HydrophobicContact CD2-CD1 3.88Å; F1198-I1202 HydrophobicContact CD2-CG1 3.88Å; F1198-I1202 HydrophobicContact CD2-CG2 3.92Å; F1198-I1202 HydrophobicContact CE2-CD1 3.44Å; F1198-I1202 VanDerWaalsContact CE2-CD1 3.44Å; F1198-I1202 HydrophobicContact CE2-CG1 3.99Å; F1198-I1202 HydrophobicContact CE2-CG2 4.28Å; F1198-I1202 HydrophobicContact CG-CG2 3.93Å; F1198-I1202 HydrophobicContact CZ-CD1 4.13Å; F1198-T1269 PolarHBondContact N-O 3.49Å
1199H84.9Confident87.7Confident103 Ų10337.8 Ų37.848%0.47718%0.178SC..EExtended strand (participates in β ladder)trans-75.1-24.2-179.1-61.9-97.4000112.5A1156 Q1158A1156-H1199 PolarHBondContact O-N 2.78Å; Q1158-H1199 PolarHBondContact NE2-CE1 2.85Å; Q1158-H1199 PolarHBondContact OE1-CE1 3.47Å; Q1158-H1199 VanDerWaalsContact OE1-CE1 3.3Å; Q1158-H1199 PolarHBondContact OE1-NE2 2.92Å
1200K86.4Confident86.6Confident100 Ų10044.7 Ų44.744%0.43521%0.209SC..EExtended strand (participates in β ladder)trans-129.8148.3171-65.8-178.6-172.2176.90109P1153 Q1154 A1156 F1198 I1202P1153-K1200 HydrophobicContact CG-CB 3.99Å; Q1154-K1200 VanDerWaalsContact O-CD 3.31Å; Q1154-K1200 WeakPolarHBondContact O-CD 3.21Å; Q1154-K1200 WeakPolarHBondContact O-CE 3.32Å; Q1154-K1200 PolarHBondContact O-NZ 3.18Å; A1156-K1200 HydrophobicContact CB-CB 4.29Å; F1198-K1200 VanDerWaalsContact C-N 3.32Å; F1198-K1200 WeakPolarHBondContact CB-O 3.25Å; K1200-I1202 PolarHBondContact O-N 3.37Å
1201P88.6Confident85.2Confident64 Ų6446.1 Ų46.142%0.41622%0.217SC..EExtended strand (participates in β ladder)trans-60.2129.3176.923.7-32.7000111.1P1153 T1267 S1268 T1269P1153-P1201 WeakPolarHBondContact CD-O 3.23Å; P1153-P1201 VanDerWaalsContact CG-O 3.26Å; P1153-P1201 WeakPolarHBondContact CG-O 3.4Å; P1201-T1267 HydrophobicContact CB-CG2 4.33Å; P1201-S1268 CarbonylContact C-O 3.51Å; P1201-S1268 WeakPolarHBondContact CA-O 3.47Å; P1201-T1269 HydrophobicContact CB-CG2 3.9Å
1202I91.1Very high83.5Confident0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-82.7145169.955.8160.1000109V1150 R1151 F1152 A1156 I1191 F1198 K1200 L1204 T1267 S1268V1150-I1202 HydrophobicContact CG1-CB 4.25Å; V1150-I1202 HydrophobicContact CG1-CD1 3.77Å; R1151-I1202 WeakPolarHBondContact O-CA 3.29Å; F1152-I1202 HydrophobicContact CB-CG2 4.48Å; F1152-I1202 HydrophobicContact CD1-CG2 3.45Å; F1152-I1202 VanDerWaalsContact CD1-CG2 3.45Å; F1152-I1202 HydrophobicContact CE1-CG2 3.74Å; F1152-I1202 HydrophobicContact CG-CG2 4.04Å; A1156-I1202 HydrophobicContact CB-CG2 4.29Å; I1191-I1202 HydrophobicContact CD1-CD1 3.29Å; F1198-I1202 HydrophobicContact CB-CG2 4.38Å; F1198-I1202 HydrophobicContact CD1-CG2 4.29Å; F1198-I1202 HydrophobicContact CD2-CD1 3.88Å; F1198-I1202 HydrophobicContact CD2-CG1 3.88Å; F1198-I1202 HydrophobicContact CD2-CG2 3.92Å; F1198-I1202 HydrophobicContact CE2-CD1 3.44Å; F1198-I1202 VanDerWaalsContact CE2-CD1 3.44Å; F1198-I1202 HydrophobicContact CE2-CG1 3.99Å; F1198-I1202 HydrophobicContact CE2-CG2 4.28Å; F1198-I1202 HydrophobicContact CG-CG2 3.93Å; F1198-I1202 HydrophobicContact CZ-CD1 4.13Å; K1200-I1202 PolarHBondContact O-N 3.37Å; I1202-L1204 HydrophobicContact CD1-CD1 4.04Å; I1202-L1204 HydrophobicContact CG1-CD1 4.32Å; I1202-T1267 CarbonylContact O-C 3.46Å; I1202-T1267 VanDerWaalsContact O-CA 3.23Å; I1202-T1267 WeakPolarHBondContact O-CA 3.34Å; I1202-S1268 VanDerWaalsContact CG1-O 3.29Å; I1202-S1268 WeakPolarHBondContact CG1-O 3.48Å; I1202-S1268 PolarHBondContact N-O 2.95Å; I1202-S1268 PolarHBondContact O-N 3.49Å
1203T91.5Very high82.1Confident50 Ų5047 Ų4731%0.30722%0.223SC..EExtended strand (participates in β ladder)trans-98.9108.6176.7-54.20000109.1V1150 R1151V1150-T1203 CarbonylContact C-O 3.59Å; V1150-T1203 WeakPolarHBondContact CA-O 3.36Å; R1151-T1203 PolarHBondContact N-O 2.83Å; R1151-T1203 PolarHBondContact O-N 3.43Å
1204L93.3Very high80.5Confident0 Ų047.9 Ų47.90%023%0.23CC..EExtended strand (participates in β ladder)trans-80.2158.1164.8-70.4100.7000109.9H1149 V1150 V1189 I1191 I1202 S1265 F1266 L1274H1149-L1204 CarbonylContact O-C 3.58Å; V1150-L1204 HydrophobicContact CG1-CG 4.38Å; V1150-L1204 HydrophobicContact CG2-CD2 4.1Å; V1150-L1204 HydrophobicContact CG2-CG 4Å; V1189-L1204 HydrophobicContact CG1-CD2 3.99Å; I1191-L1204 HydrophobicContact CD1-CD1 4.14Å; I1191-L1204 HydrophobicContact CD1-CD2 3.93Å; I1191-L1204 HydrophobicContact CD1-CG 4.17Å; I1202-L1204 HydrophobicContact CD1-CD1 4.04Å; I1202-L1204 HydrophobicContact CG1-CD1 4.32Å; L1204-S1265 VanDerWaalsContact O-CA 3.3Å; L1204-S1265 WeakPolarHBondContact O-CA 3.37Å; L1204-F1266 HydrophobicContact CB-CD2 4.46Å; L1204-F1266 HydrophobicContact CB-CE1 4.18Å; L1204-F1266 HydrophobicContact CB-CE2 4.04Å; L1204-F1266 HydrophobicContact CB-CZ 3.88Å; L1204-F1266 HydrophobicContact CD1-CE2 4Å; L1204-F1266 HydrophobicContact CD2-CZ 4.26Å; L1204-F1266 HydrophobicContact CG-CE2 4.41Å; L1204-F1266 HydrophobicContact CG-CZ 4.44Å; L1204-F1266 PolarHBondContact N-O 3.29Å; L1204-F1266 PolarHBondContact O-N 3.47Å; L1204-F1266 VanDerWaalsContact O-O 3.11Å; L1204-L1274 HydrophobicContact CD1-CD1 3.88Å; L1204-L1274 HydrophobicContact CD2-CD1 3.58Å; L1204-L1274 HydrophobicContact CG-CD1 4.38Å
1205T91.8Very high79Confident2 Ų254.9 Ų54.91%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-140.4138164.3-60.60000107.7V1148 H1149 S1263 V1264 S1265V1148-T1205 VanDerWaalsContact CA-O 3.3Å; V1148-T1205 WeakPolarHBondContact CA-O 3.24Å; H1149-T1205 VanDerWaalsContact CE1-CB 3.42Å; H1149-T1205 WeakPolarHBondContact CE1-CB 3.29Å; H1149-T1205 PolarHBondContact CE1-OG1 3.26Å; H1149-T1205 PolarHBondContact N-O 2.81Å; H1149-T1205 PolarHBondContact O-N 3.24Å; T1205-S1263 VanDerWaalsContact CG2-OG 3.31Å; T1205-S1263 WeakPolarHBondContact CG2-OG 3.49Å; T1205-V1264 VanDerWaalsContact CA-O 3.3Å; T1205-V1264 WeakPolarHBondContact CA-O 3.12Å; T1205-S1265 WeakPolarHBondContact OG1-CB 3.27Å; T1205-S1265 PolarHBondContact OG1-OG 3.39Å
1206I91.7Very high77.5Confident0 Ų051.8 Ų51.80%025%0.252CS..EExtended strand (participates in β ladder)trans-142.6136.6-174.9-54.7-173000108.1S1186 V1189 V1264 F1266 L1274S1186-I1206 WeakPolarHBondContact OG-CG2 3.36Å; V1189-I1206 HydrophobicContact CB-CD1 3.89Å; V1189-I1206 HydrophobicContact CG2-CD1 3.59Å; V1189-I1206 HydrophobicContact CG2-CG1 3.92Å; V1189-I1206 HydrophobicContact CG2-CG2 4.35Å; I1206-V1264 PolarHBondContact N-O 2.72Å; I1206-V1264 PolarHBondContact O-N 3.32Å; I1206-F1266 HydrophobicContact CB-CE1 4.44Å; I1206-F1266 HydrophobicContact CD1-CE1 3.61Å; I1206-F1266 HydrophobicContact CD1-CZ 3.66Å; I1206-F1266 HydrophobicContact CG1-CE1 3.82Å; I1206-F1266 HydrophobicContact CG1-CZ 4.27Å; I1206-L1274 HydrophobicContact CD1-CB 4.43Å
1207P89.3Confident75.7Confident17 Ų1752.2 Ų52.211%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-63.6150.2178.525.9-34.2000112.8V1145 D1147 S1186 P1187V1145-P1207 HydrophobicContact CG1-CG 3.94Å; D1147-P1207 HydrophobicContact CB-CB 4.01Å; D1147-P1207 HydrophobicContact CB-CG 4.11Å; S1186-P1207 WeakPolarHBondContact CB-O 3.37Å; P1187-P1207 HydrophobicContact CG-CG 4.18Å
1208L84Confident73.8Confident8 Ų851.6 Ų51.64%0.04229%0.286CS..PPolyproline II helixtrans-64.1143.4175.7-80.5167.8000112A1212 I1213 F1216 I1228 L1233 V1259 L1262 V1264L1208-A1212 HydrophobicContact CD2-CB 4.27Å; L1208-I1213 HydrophobicContact CB-CD1 4.22Å; L1208-I1213 HydrophobicContact CB-CG1 3.72Å; L1208-I1213 HydrophobicContact CD1-CG1 4.44Å; L1208-F1216 HydrophobicContact CD1-CD2 3.78Å; L1208-F1216 HydrophobicContact CD1-CE2 3.83Å; L1208-F1216 HydrophobicContact CD2-CE2 4.45Å; L1208-I1228 HydrophobicContact CD2-CD1 4.31Å; L1208-L1233 HydrophobicContact CD2-CD2 3.95Å; L1208-V1259 HydrophobicContact CD1-CG2 3.96Å; L1208-V1259 HydrophobicContact CD2-CG2 4.14Å; L1208-V1259 HydrophobicContact CG-CG2 4.26Å; L1208-L1262 WeakPolarHBondContact CB-O 3.43Å; L1208-L1262 PolarHBondContact N-O 3.47Å; L1208-V1264 HydrophobicContact CD2-CG2 3.38Å; L1208-V1264 HydrophobicContact CG-CG2 3.75Å
1209P80.6Confident71.5Confident1 Ų156 Ų561%0.00631%0.313CS..PPolyproline II helixtrans-56.1141.3165.2-24.435.2000111.8S1184 T1211 A1212 I1213 L1233 L1276 D1278S1184-P1209 WeakPolarHBondContact OG-CB 3.44Å; P1209-T1211 VanDerWaalsContact C-N 3.27Å; P1209-T1211 PolarHBondContact O-N 3.39Å; P1209-T1211 VanDerWaalsContact O-N 3.15Å; P1209-A1212 WeakPolarHBondContact O-CB 3.21Å; P1209-A1212 PolarHBondContact O-N 3.15Å; P1209-I1213 PolarHBondContact O-N 2.88Å; P1209-L1233 HydrophobicContact CG-CD1 3.65Å; P1209-L1276 HydrophobicContact CG-CB 3.84Å; P1209-D1278 HydrophobicContact CB-CB 3.96Å; P1209-D1278 HydrophobicContact CG-CB 4.19Å
1210K69.2Low69Low146 Ų14655.5 Ų55.564%0.63533%0.327SS*.Hα-helixtrans-59.5-31.9-169.9-68.4-179.5-179.4172.20113.9I1213 S1214K1210-I1213 WeakPolarHBondContact O-CB 3.35Å; K1210-I1213 PolarHBondContact O-N 3.15Å; K1210-S1214 PolarHBondContact O-N 3.49Å
1211T62Low66.5Low36 Ų3658.1 Ų58.122%0.22135%0.346CS..Hα-helixtrans-69.7-37.7177.6-50.10000111.6S1184 P1209 I1213 S1214S1184-T1211 WeakPolarHBondContact CB-OG1 3.48Å; S1184-T1211 VanDerWaalsContact OG-CB 3.31Å; S1184-T1211 WeakPolarHBondContact OG-CB 3.28Å; S1184-T1211 PolarHBondContact OG-N 3.3Å; S1184-T1211 PolarHBondContact OG-OG1 3.39Å; P1209-T1211 VanDerWaalsContact C-N 3.27Å; P1209-T1211 PolarHBondContact O-N 3.39Å; P1209-T1211 VanDerWaalsContact O-N 3.15Å; T1211-I1213 VanDerWaalsContact C-N 3.33Å; T1211-I1213 PolarHBondContact O-N 2.9Å; T1211-S1214 WeakPolarHBondContact O-CB 3.5Å; T1211-S1214 PolarHBondContact O-N 3.2Å; T1211-S1214 VanDerWaalsContact O-N 3.1Å; T1211-S1214 PolarHBondContact O-OG 3.48Å
1212A57.2Low63.9Low2 Ų260.3 Ų60.32%0.01736%0.358CS..Hα-helixtrans-62.8-37.7171.500000112.1L1208 P1209 S1214 F1215 F1216 D1278L1208-A1212 HydrophobicContact CD2-CB 4.27Å; P1209-A1212 WeakPolarHBondContact O-CB 3.21Å; P1209-A1212 PolarHBondContact O-N 3.15Å; A1212-S1214 PolarHBondContact O-N 2.86Å; A1212-F1215 WeakPolarHBondContact O-CB 3.45Å; A1212-F1215 PolarHBondContact O-N 3.5Å; A1212-F1216 WeakPolarHBondContact O-CD2 3.44Å; A1212-F1216 PolarHBondContact O-N 2.77Å; A1212-D1278 PolarHBondContact N-OD2 3.41Å
1213I56.3Low61.2Low47 Ų4769.3 Ų69.324%0.24140%0.397CS..Hα-helixtrans-60-33.2174.1-59.3175.4000111.3L1208 P1209 K1210 T1211 F1215 F1216 S1217 L1262L1208-I1213 HydrophobicContact CB-CD1 4.22Å; L1208-I1213 HydrophobicContact CB-CG1 3.72Å; L1208-I1213 HydrophobicContact CD1-CG1 4.44Å; P1209-I1213 PolarHBondContact O-N 2.88Å; K1210-I1213 WeakPolarHBondContact O-CB 3.35Å; K1210-I1213 PolarHBondContact O-N 3.15Å; T1211-I1213 VanDerWaalsContact C-N 3.33Å; T1211-I1213 PolarHBondContact O-N 2.9Å; I1213-F1215 VanDerWaalsContact C-N 3.27Å; I1213-F1215 PolarHBondContact O-N 3.16Å; I1213-F1216 PolarHBondContact O-N 3.3Å; I1213-F1216 VanDerWaalsContact O-N 3.17Å; I1213-S1217 VanDerWaalsContact O-CB 3.29Å; I1213-S1217 WeakPolarHBondContact O-CB 3.33Å; I1213-S1217 PolarHBondContact O-N 3.01Å; I1213-L1262 HydrophobicContact CD1-CD2 4.44Å; I1213-L1262 HydrophobicContact CG1-CD2 4.36Å; I1213-L1262 HydrophobicContact CG2-CD2 3.86Å
1214S49.9Very low58.5Low76 Ų7669.2 Ų69.253%0.53140%0.399SS..Hα-helixtrans-64.1-30.5175.580.80000113.3K1210 T1211 A1212K1210-S1214 PolarHBondContact O-N 3.49Å; T1211-S1214 WeakPolarHBondContact O-CB 3.5Å; T1211-S1214 PolarHBondContact O-N 3.2Å; T1211-S1214 VanDerWaalsContact O-N 3.1Å; T1211-S1214 PolarHBondContact O-OG 3.48Å; A1212-S1214 PolarHBondContact O-N 2.86Å
1215F51.7Low55.9Low166 Ų16679.7 Ų79.773%0.72844%0.438SS*.Hα-helixtrans-72.4-32.3173.4-102.6-87.2000113A1212 I1213A1212-F1215 WeakPolarHBondContact O-CB 3.45Å; A1212-F1215 PolarHBondContact O-N 3.5Å; I1213-F1215 VanDerWaalsContact C-N 3.27Å; I1213-F1215 PolarHBondContact O-N 3.16Å
1216F51.5Low53.7Low88 Ų8883.9 Ų83.939%0.38647%0.468SS..Hα-helixtrans-85.5-36.9179.2-66.2-67.1000113.3L1208 A1212 I1213 G1218 V1219 I1228L1208-F1216 HydrophobicContact CD1-CD2 3.78Å; L1208-F1216 HydrophobicContact CD1-CE2 3.83Å; L1208-F1216 HydrophobicContact CD2-CE2 4.45Å; A1212-F1216 WeakPolarHBondContact O-CD2 3.44Å; A1212-F1216 PolarHBondContact O-N 2.77Å; I1213-F1216 PolarHBondContact O-N 3.3Å; I1213-F1216 VanDerWaalsContact O-N 3.17Å; F1216-G1218 PolarHBondContact O-N 3.21Å; F1216-V1219 PolarHBondContact O-N 3.38Å; F1216-I1228 HydrophobicContact CZ-CG2 4.23Å
1217S46.7Very low51.7Low102 Ų10287.8 Ų87.871%0.71349%0.491SS*.Hα-helixtrans-66.2-23.3-179-169.70000113.4I1213 V1219I1213-S1217 VanDerWaalsContact O-CB 3.29Å; I1213-S1217 WeakPolarHBondContact O-CB 3.33Å; I1213-S1217 PolarHBondContact O-N 3.01Å; S1217-V1219 VanDerWaalsContact C-N 3.27Å; S1217-V1219 PolarHBondContact O-N 2.59Å
1218G44.7Very low49.9Very low67 Ų6788.3 Ų88.369%0.69149%0.493SS*.THydrogen-bonded Turntrans-74.2-6177.300000115.8F1216F1216-G1218 PolarHBondContact O-N 3.21Å
1219V39.4Very low48.2Very low101 Ų10194 Ų9461%0.61252%0.523SS*.  trans-127.385.1-173.8-170.30000111.4F1216 S1217F1216-V1219 PolarHBondContact O-N 3.38Å; S1217-V1219 VanDerWaalsContact C-N 3.27Å; S1217-V1219 PolarHBondContact O-N 2.59Å
1220A31.8Very low47.2Very low93 Ų9395.4 Ų95.477%0.76953%0.534SS*.  trans-64.9152.9158.900000110.4
1221D33.3Very low47.1Very low154 Ų15493 Ų9382%0.82453%0.533SS*.  trans55.790.3-177.9-73.6-30.9000117.1
1222T34.9Very low47.9Very low110 Ų11092.4 Ų92.468%0.67553%0.53SS*.  -170.5128.7118.117.70000113.4S1224T1222-S1224 VanDerWaalsContact C-N 3.33Å; T1222-S1224 PolarHBondContact O-N 3.34Å
1223K35.3Very low49.3Very low189 Ų18992.5 Ų92.582%0.82253%0.531SS*.SBendtrans-8257.4-177.5-70.5175.4176.5163.30114.3
1224S34.7Very low50.8Low49 Ų4992.8 Ų92.834%0.34353%0.529SS..  trans-177.8100.2163.452.30000114.5T11 T1222T11-S1224 WeakPolarHBondContact CB-OG 3.25Å; T11-S1224 PolarHBondContact OG1-OG 2.87Å; T1222-S1224 VanDerWaalsContact C-N 3.33Å; T1222-S1224 PolarHBondContact O-N 3.34Å
1225R37.4Very low52.8Low220 Ų22089.2 Ų89.283%0.8350%0.503SS*.  trans-159.4109.5152.2-124171.6171.4154.8-3.3108.3
1226S46.9Very low54.7Low89 Ų8981.3 Ų81.362%0.62247%0.469SS*.  trans-104.211.8-165.154.90000114.6
1227T48.9Very low56.6Low82 Ų8277.5 Ų77.550%0.50345%0.453SS..SBendtrans-138140-179450000109.3D1229T1227-D1229 PolarHBondContact O-N 3.31Å
1228I50.6Low58.7Low28 Ų2872.7 Ų72.714%0.14442%0.419CS..  trans-85.5103.8-179.9-46.2171.3000109.9L1208 F1216 S1230 L1233 L1257 V1259 V1264L1208-I1228 HydrophobicContact CD2-CD1 4.31Å; F1216-I1228 HydrophobicContact CZ-CG2 4.23Å; I1228-S1230 PolarHBondContact O-N 3.09Å; I1228-L1233 HydrophobicContact CD1-CD2 3.55Å; I1228-L1233 HydrophobicContact CG2-CD2 3.8Å; I1228-L1257 HydrophobicContact CD1-CB 3.63Å; I1228-L1257 HydrophobicContact CD1-CD1 4.16Å; I1228-L1257 HydrophobicContact CG1-CB 4.29Å; I1228-V1259 HydrophobicContact CD1-CG2 3.52Å; I1228-V1259 HydrophobicContact CG1-CB 4.12Å; I1228-V1259 HydrophobicContact CG1-CG2 3.53Å; I1228-V1264 HydrophobicContact CD1-CG1 3.98Å; I1228-V1264 HydrophobicContact CD1-CG2 3.81Å
1229D50Low60.6Low127 Ų12770.9 Ų70.968%0.67939%0.394SS*.  trans-89.843.4168.9-60.6-39.2000111.3T1227 P1231T1227-D1229 PolarHBondContact O-N 3.31Å; D1229-P1231 WeakPolarHBondContact O-CD 3.28Å
1230S59.2Low62.6Low32 Ų3266.4 Ų66.422%0.22437%0.367CS..  trans-88.2110.2167.6-179.70000108.8I1228 S1232 L1233I1228-S1230 PolarHBondContact O-N 3.09Å; S1230-S1232 PolarHBondContact O-N 3.14Å; S1230-S1232 PolarHBondContact OG-OG 3.43Å; S1230-L1233 PolarHBondContact O-N 3.27Å
1231P66.1Low64.5Low94 Ų9462.9 Ų62.961%0.6134%0.339SS*.THydrogen-bonded Turntrans-69.4-20.7-175.828.6-35.3000113.3D1229 R1234 I1282D1229-P1231 WeakPolarHBondContact O-CD 3.28Å; P1231-R1234 PolarHBondContact O-NE 3.45Å; P1231-R1234 PolarHBondContact O-NH2 3.15Å; P1231-I1282 WeakPolarHBondContact O-CD1 3.41Å
1232S79.9Confident66.1Low25 Ų2557.5 Ų57.518%0.17532%0.321CS..THydrogen-bonded Turntrans-87.7-19.5179.248.60000114S1230 D1278 C1279S1230-S1232 PolarHBondContact O-N 3.14Å; S1230-S1232 PolarHBondContact OG-OG 3.43Å; S1232-D1278 WeakPolarHBondContact CB-OD1 3.28Å; S1232-D1278 CarbonylContact O-C 3.53Å; S1232-D1278 WeakPolarHBondContact O-CA 2.97Å; S1232-D1278 PolarHBondContact OG-OD1 3.5Å; S1232-C1279 WeakPolarHBondContact CA-O 3.33Å; S1232-C1279 WeakPolarHBondContact CB-O 3.14Å; S1232-C1279 PolarHBondContact O-N 3.31Å
1233L86.5Confident67.9Low4 Ų455.8 Ų55.82%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-78122.5-178.7-173.169000111.6L1208 P1209 I1228 S1230 L1257 L1276 D1278L1208-L1233 HydrophobicContact CD2-CD2 3.95Å; P1209-L1233 HydrophobicContact CG-CD1 3.65Å; I1228-L1233 HydrophobicContact CD1-CD2 3.55Å; I1228-L1233 HydrophobicContact CG2-CD2 3.8Å; S1230-L1233 PolarHBondContact O-N 3.27Å; L1233-L1257 HydrophobicContact CD2-CD1 4.15Å; L1233-L1257 HydrophobicContact CG-CD1 4.45Å; L1233-L1276 HydrophobicContact CD1-CB 4.07Å; L1233-D1278 HydrophobicContact CD1-CB 3.98Å
1234R87.8Confident69.9Low53 Ų5349.8 Ų49.820%0.229%0.292CS..EExtended strand (participates in β ladder)trans-128.1124.8-175.5-57.7-62.1167.6146.2-15.7113.5P1231 L1236 D1250 T1252 L1276 V1277 I1282 V1285P1231-R1234 PolarHBondContact O-NE 3.45Å; P1231-R1234 PolarHBondContact O-NH2 3.15Å; R1234-L1236 HydrophobicContact CB-CD2 4.17Å; R1234-D1250 WeakPolarHBondContact CD-OD2 3.14Å; R1234-D1250 IonicContact CZ-OD2 3.65Å; R1234-D1250 IonicContact NH1-OD2 2.69Å; R1234-D1250 PolarHBondContact NH1-OD2 2.97Å; R1234-T1252 WeakPolarHBondContact CA-OG1 3.46Å; R1234-L1276 CarbonylContact O-C 3.56Å; R1234-L1276 VanDerWaalsContact O-CA 3.25Å; R1234-L1276 WeakPolarHBondContact O-CA 3.07Å; R1234-V1277 WeakPolarHBondContact CB-O 3.27Å; R1234-V1277 PolarHBondContact N-O 2.9Å; R1234-V1277 PolarHBondContact O-N 2.64Å; R1234-I1282 VanDerWaalsContact CZ-CG2 3.41Å; R1234-V1285 HydrophobicContact CB-CG2 4.33Å; R1234-V1285 HydrophobicContact CG-CG1 4.48Å; R1234-V1285 HydrophobicContact CG-CG2 4.25Å
1235L90.8Very high71.8Confident0 Ų051.4 Ų51.40%030%0.301CS..EExtended strand (participates in β ladder)trans-85.2109.5168.3179.166.6000109.3I1251 T1252 L1257 F1266 L1274 W1275 L1276L1235-I1251 HydrophobicContact CB-CG1 4.32Å; L1235-I1251 HydrophobicContact CD2-CD1 3.67Å; L1235-I1251 HydrophobicContact CD2-CG1 3.81Å; L1235-I1251 HydrophobicContact CG-CD1 3.98Å; L1235-I1251 HydrophobicContact CG-CG1 3.72Å; L1235-I1251 VanDerWaalsContact O-CG1 3.29Å; L1235-I1251 WeakPolarHBondContact O-CG1 3.37Å; L1235-I1251 PolarHBondContact O-N 3Å; L1235-T1252 PolarHBondContact N-OG1 3.44Å; L1235-T1252 PolarHBondContact O-N 3.48Å; L1235-L1257 HydrophobicContact CB-CD2 4.09Å; L1235-L1257 HydrophobicContact CD2-CD2 3.85Å; L1235-L1257 HydrophobicContact CG-CD2 4.49Å; L1235-F1266 HydrophobicContact CD1-CE1 3.85Å; L1235-F1266 HydrophobicContact CD1-CE2 4.05Å; L1235-F1266 HydrophobicContact CD1-CZ 3.57Å; L1235-F1266 HydrophobicContact CD2-CD1 4.28Å; L1235-F1266 HydrophobicContact CD2-CD2 3.59Å; L1235-F1266 HydrophobicContact CD2-CE1 4.26Å; L1235-F1266 HydrophobicContact CD2-CE2 3.57Å; L1235-F1266 HydrophobicContact CD2-CG 3.96Å; L1235-F1266 HydrophobicContact CD2-CZ 3.93Å; L1235-F1266 HydrophobicContact CG-CE2 4.45Å; L1235-F1266 HydrophobicContact CG-CZ 4.42Å; L1235-L1274 HydrophobicContact CD1-CD2 4.35Å; L1235-W1275 CarbonylContact C-O 3.6Å; L1235-W1275 WeakPolarHBondContact CA-O 3.41Å; L1235-L1276 HydrophobicContact CB-CD2 3.87Å; L1235-L1276 HydrophobicContact CD1-CD2 3.87Å; L1235-L1276 HydrophobicContact CD1-CG 4.45Å; L1235-L1276 HydrophobicContact CG-CD2 4.44Å
1236L92.1Very high73.9Confident0 Ų041.2 Ų41.20%026%0.264CS..EExtended strand (participates in β ladder)trans-96.4145.4173.7-49.8-175.4000110.7R1234 W1248 E1249 D1250 L1274 W1275 V1277 V1285 A1289R1234-L1236 HydrophobicContact CB-CD2 4.17Å; L1236-W1248 HydrophobicContact CB-CE3 3.97Å; L1236-E1249 CarbonylContact C-O 3.39Å; L1236-E1249 VanDerWaalsContact CA-O 3.27Å; L1236-E1249 WeakPolarHBondContact CA-O 3.05Å; L1236-D1250 HydrophobicContact CD2-CB 3.83Å; L1236-L1274 WeakPolarHBondContact O-CA 3.32Å; L1236-W1275 PolarHBondContact N-O 2.98Å; L1236-W1275 PolarHBondContact O-N 3.28Å; L1236-V1277 HydrophobicContact CD1-CB 4.38Å; L1236-V1277 HydrophobicContact CD1-CG2 3.77Å; L1236-V1277 HydrophobicContact CG-CG2 4.15Å; L1236-V1285 HydrophobicContact CD2-CG1 4.26Å; L1236-A1289 HydrophobicContact CD1-CB 3.25Å
1237C91.5Very high75.8Confident9 Ų941.8 Ų41.86%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-128149.4-178.1-174.40000111.1W1248 E1249 I1251 A1272 R1273 L1274C1237-W1248 CarbonylContact O-C 3.54Å; C1237-W1248 WeakPolarHBondContact O-CA 3.2Å; C1237-E1249 PolarHBondContact N-O 2.97Å; C1237-E1249 PolarHBondContact O-N 3.25Å; C1237-I1251 HydrophobicContact CB-CB 4.27Å; C1237-I1251 HydrophobicContact CB-CD1 3.63Å; C1237-I1251 HydrophobicContact CB-CG1 3.72Å; C1237-I1251 HydrophobicContact CB-CG2 3.56Å; C1237-A1272 VanDerWaalsContact SG-CB 3.58Å; C1237-R1273 CarbonylContact C-O 3.56Å; C1237-R1273 VanDerWaalsContact CA-O 3.28Å; C1237-R1273 WeakPolarHBondContact CA-O 3.43Å; C1237-L1274 HydrophobicContact CB-CD2 3.84Å
1238S91.1Very high77.8Confident0 Ų038.4 Ų38.40%024%0.242CC..EExtended strand (participates in β ladder)trans-132.9122162.4-169.40000111.5A1240 A1246 V1247 A1272 R1273S1238-A1240 PolarHBondContact OG-N 2.65Å; S1238-A1246 WeakPolarHBondContact OG-CA 3.44Å; S1238-V1247 WeakPolarHBondContact CA-O 3.44Å; S1238-V1247 WeakPolarHBondContact CB-O 3.28Å; S1238-V1247 PolarHBondContact OG-N 3.09Å; S1238-V1247 PolarHBondContact OG-O 2.86Å; S1238-A1272 WeakPolarHBondContact O-CA 3.32Å; S1238-A1272 WeakPolarHBondContact O-CB 3.23Å; S1238-R1273 PolarHBondContact N-O 3.04Å; S1238-R1273 PolarHBondContact O-N 3.4Å
1239I85.3Confident79.6Confident30 Ų3041.3 Ų41.315%0.15426%0.255CS..  trans-94.613.7173.164167.8000112.7R1195 G1241 A1272 T1961R1195-I1239 WeakPolarHBondContact CG-O 3.25Å; R1195-I1239 PolarHBondContact NE-O 2.99Å; R1195-I1239 PolarHBondContact NH2-O 3.3Å; I1239-G1241 PolarHBondContact O-N 3.34Å; I1239-A1272 HydrophobicContact CG2-CB 4.14Å; I1239-T1961 HydrophobicContact CD1-CG2 4.13Å
1240A81.5Confident81.4Confident7 Ų738.2 Ų38.26%0.05824%0.238CC..  trans-59.2135.217200000110.3R1194 S1238 S1244 P1245R1194-A1240 VanDerWaalsContact CD-O 3.29Å; R1194-A1240 WeakPolarHBondContact CD-O 3.42Å; R1194-A1240 PolarHBondContact NH1-O 3.37Å; S1238-A1240 PolarHBondContact OG-N 2.65Å; A1240-S1244 WeakPolarHBondContact CB-O 3.38Å; A1240-P1245 WeakPolarHBondContact CB-O 3.42Å
1241G70Confident82.8Confident18 Ų1837.7 Ų37.719%0.18623%0.233CC..  trans-126.8150.1-172.200000112.3I1239 S1244I1239-G1241 PolarHBondContact O-N 3.34Å; G1241-S1244 PolarHBondContact O-N 2.87Å; G1241-S1244 PolarHBondContact O-OG 3.15Å
1242G67.4Low83.6Confident42 Ų4234.9 Ų34.943%0.43321%0.214SC..THydrogen-bonded Turntrans58.5-140.4-16800000111N1023 R1194 S1244N1023-G1242 PolarHBondContact OD1-O 3.24Å; R1194-G1242 PolarHBondContact NH1-O 3.28Å; R1194-G1242 PolarHBondContact NH2-O 2.91Å; G1242-S1244 VanDerWaalsContact C-N 3.25Å; G1242-S1244 PolarHBondContact O-N 2.96Å
1243T73.1Confident83.5Confident73 Ų7336.3 Ų36.345%0.44823%0.233SC..THydrogen-bonded Turntrans-85.317.4-179.557.20000114.5I1021 M1022I1021-T1243 HydrophobicContact CG2-CG2 3.39Å; M1022-T1243 WeakPolarHBondContact O-CG2 3.35Å
1244S76.3Confident83.2Confident63 Ų6338.9 Ų38.944%0.44125%0.251SS..SBendtrans-75.3130.2168.1-60.70000109.8A1240 G1241 G1242A1240-S1244 WeakPolarHBondContact CB-O 3.38Å; G1241-S1244 PolarHBondContact O-N 2.87Å; G1241-S1244 PolarHBondContact O-OG 3.15Å; G1242-S1244 VanDerWaalsContact C-N 3.25Å; G1242-S1244 PolarHBondContact O-N 2.96Å
1245P75.1Confident82.8Confident83 Ų8337 Ų3754%0.53925%0.246SC..  trans-64.1150.1-178.126.1-34.9000112.3D1024 A1240 V1247D1024-P1245 WeakPolarHBondContact OD2-CA 3.46Å; A1240-P1245 WeakPolarHBondContact CB-O 3.42Å; P1245-V1247 PolarHBondContact O-N 3.45Å
1246A82.8Confident82.2Confident7 Ų739.7 Ų39.76%0.05826%0.264CS..  trans-64.6106.2-178.200000113.4D1024 S1238 W1248 Y1293D1024-A1246 PolarHBondContact OD2-N 3.3Å; S1238-A1246 WeakPolarHBondContact OG-CA 3.44Å; A1246-W1248 HydrophobicContact CB-CZ2 4.23Å; A1246-Y1293 HydrophobicContact CB-CD1 4.03Å; A1246-Y1293 HydrophobicContact CB-CE1 3.26Å
1247V86.8Confident81.7Confident101 Ų10140.6 Ų40.661%0.61227%0.268SS*.  trans-82.9123.1163.4-178.30000108.5S1238 P1245S1238-V1247 WeakPolarHBondContact CA-O 3.44Å; S1238-V1247 WeakPolarHBondContact CB-O 3.28Å; S1238-V1247 PolarHBondContact OG-N 3.09Å; S1238-V1247 PolarHBondContact OG-O 2.86Å; P1245-V1247 PolarHBondContact O-N 3.45Å
1248W89.5Confident81.2Confident10 Ų1042.7 Ų42.74%0.03828%0.281CS..  trans-97135.4-175.3-70107.1000113.2I1188 L1236 C1237 A1246 R1273 W1275 V1286 Y1293I1188-W1248 HydrophobicContact CD1-CZ2 4.43Å; I1188-W1248 HydrophobicContact CG2-CH2 3.83Å; I1188-W1248 HydrophobicContact CG2-CZ2 4.46Å; L1236-W1248 HydrophobicContact CB-CE3 3.97Å; C1237-W1248 CarbonylContact O-C 3.54Å; C1237-W1248 WeakPolarHBondContact O-CA 3.2Å; A1246-W1248 HydrophobicContact CB-CZ2 4.23Å; W1248-R1273 HydrophobicContact CH2-CB 3.87Å; W1248-R1273 HydrophobicContact CZ3-CB 4.29Å; W1248-W1275 AromaticContact CD2-NE1 3.69Å; W1248-W1275 AromaticContact CE2-NE1 3.8Å; W1248-W1275 AromaticContact CE3-CD1 3.84Å; W1248-W1275 AromaticContact CE3-NE1 3.39Å; W1248-W1275 AromaticContact CH2-CD1 3.58Å; W1248-W1275 HydrophobicContact CH2-CG 4.44Å; W1248-W1275 AromaticContact CH2-NE1 3.37Å; W1248-W1275 HydrophobicContact CZ2-CZ2 4.37Å; W1248-W1275 AromaticContact CZ2-NE1 3.65Å; W1248-W1275 AromaticContact CZ3-CD1 3.31Å; W1248-W1275 HydrophobicContact CZ3-CG 4.47Å; W1248-W1275 AromaticContact CZ3-NE1 3.23Å; W1248-V1286 HydrophobicContact CB-CG1 4.17Å; W1248-V1286 VanDerWaalsContact O-CG1 3.24Å; W1248-V1286 WeakPolarHBondContact O-CG1 3.21Å; W1248-Y1293 AromaticContact CE2-CG 3.92Å; W1248-Y1293 HydrophobicContact CZ2-CD1 4.12Å; W1248-Y1293 AromaticContact CZ2-CD2 3.68Å; W1248-Y1293 HydrophobicContact CZ2-CD2 3.68Å; W1248-Y1293 HydrophobicContact CZ2-CE1 4.24Å; W1248-Y1293 AromaticContact CZ2-CE2 3.8Å; W1248-Y1293 HydrophobicContact CZ2-CE2 3.8Å; W1248-Y1293 AromaticContact CZ2-CG 3.81Å; W1248-Y1293 HydrophobicContact CZ2-CG 3.81Å; W1248-Y1293 AromaticContact NE1-CD1 3.34Å; W1248-Y1293 VanDerWaalsContact NE1-CD1 3.34Å; W1248-Y1293 AromaticContact NE1-CG 3.43Å
1249E88.8Confident80.6Confident90 Ų9044 Ų4442%0.42129%0.289SS..EExtended strand (participates in β ladder)trans-128.7136.1179-62.6176.4172.300110.6L1236 C1237 I1251L1236-E1249 CarbonylContact C-O 3.39Å; L1236-E1249 VanDerWaalsContact CA-O 3.27Å; L1236-E1249 WeakPolarHBondContact CA-O 3.05Å; C1237-E1249 PolarHBondContact N-O 2.97Å; C1237-E1249 PolarHBondContact O-N 3.25Å; E1249-I1251 HydrophobicContact CB-CG2 4.44Å; E1249-I1251 PolarHBondContact O-N 3.31Å
1250D88.5Confident80Confident61 Ų6147.7 Ų47.733%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-75.3108.2171.5179.94.2000110.4R1234 L1236 T1252R1234-D1250 WeakPolarHBondContact CD-OD2 3.14Å; R1234-D1250 IonicContact CZ-OD2 3.65Å; R1234-D1250 IonicContact NH1-OD2 2.69Å; R1234-D1250 PolarHBondContact NH1-OD2 2.97Å; L1236-D1250 HydrophobicContact CD2-CB 3.83Å; D1250-T1252 WeakPolarHBondContact OD1-CB 3.32Å; D1250-T1252 PolarHBondContact OD1-N 3.01Å; D1250-T1252 PolarHBondContact OD1-OG1 2.77Å
1251I88.1Confident79.7Confident22 Ų2254.7 Ų54.711%0.11334%0.342CS..  trans-105.710.5178.669.1156.1000113.3L1235 C1237 E1249 G1253 S1254 S1255 L1274L1235-I1251 HydrophobicContact CB-CG1 4.32Å; L1235-I1251 HydrophobicContact CD2-CD1 3.67Å; L1235-I1251 HydrophobicContact CD2-CG1 3.81Å; L1235-I1251 HydrophobicContact CG-CD1 3.98Å; L1235-I1251 HydrophobicContact CG-CG1 3.72Å; L1235-I1251 VanDerWaalsContact O-CG1 3.29Å; L1235-I1251 WeakPolarHBondContact O-CG1 3.37Å; L1235-I1251 PolarHBondContact O-N 3Å; C1237-I1251 HydrophobicContact CB-CB 4.27Å; C1237-I1251 HydrophobicContact CB-CD1 3.63Å; C1237-I1251 HydrophobicContact CB-CG1 3.72Å; C1237-I1251 HydrophobicContact CB-CG2 3.56Å; E1249-I1251 HydrophobicContact CB-CG2 4.44Å; E1249-I1251 PolarHBondContact O-N 3.31Å; I1251-G1253 PolarHBondContact O-N 2.62Å; I1251-G1253 VanDerWaalsContact O-N 3.15Å; I1251-S1254 PolarHBondContact O-N 2.9Å; I1251-S1254 PolarHBondContact O-OG 3.1Å; I1251-S1255 PolarHBondContact O-N 2.88Å; I1251-L1274 HydrophobicContact CD1-CD2 3.67Å
1252T83.7Confident80.2Confident34 Ų3458.6 Ų58.621%0.20936%0.358CS..THydrogen-bonded Turntrans-54.2-35.5176.4-42.20000111.6R1234 L1235 D1250 L1257R1234-T1252 WeakPolarHBondContact CA-OG1 3.46Å; L1235-T1252 PolarHBondContact N-OG1 3.44Å; L1235-T1252 PolarHBondContact O-N 3.48Å; D1250-T1252 WeakPolarHBondContact OD1-CB 3.32Å; D1250-T1252 PolarHBondContact OD1-N 3.01Å; D1250-T1252 PolarHBondContact OD1-OG1 2.77Å; T1252-L1257 HydrophobicContact CG2-CD1 4.24Å
1253G77.7Confident80.9Confident56 Ų5657.6 Ų57.658%0.57734%0.344SS*.THydrogen-bonded Turntrans-64.9-37.3175.100000113.5K81 I1251K81-G1253 VanDerWaalsContact CD-O 3.29Å; K81-G1253 WeakPolarHBondContact CD-O 3.45Å; K81-G1253 WeakPolarHBondContact CE-O 3.36Å; K81-G1253 VanDerWaalsContact CG-O 3.3Å; K81-G1253 WeakPolarHBondContact CG-O 3.41Å; I1251-G1253 PolarHBondContact O-N 2.62Å; I1251-G1253 VanDerWaalsContact O-N 3.15Å
1254S78.9Confident81.6Confident57 Ų5754.1 Ų54.140%0.39932%0.323SS..THydrogen-bonded Turntrans-93.3-35.1-173.3660000113.6I1251I1251-S1254 PolarHBondContact O-N 2.9Å; I1251-S1254 PolarHBondContact O-OG 3.1Å
1255S79.3Confident82.2Confident14 Ų1451.9 Ų51.910%0.09831%0.307CS..SBendtrans-105.4108.4179.1-670000111.5I1251 T1267I1251-S1255 PolarHBondContact O-N 2.88Å; S1255-T1267 PolarHBondContact OG-O 3.48Å
1256P77.9Confident82.9Confident57 Ų5748.1 Ų48.137%0.3728%0.283SS..  trans-69.1136.7-177.428.8-32.8000111.8F1266P1256-F1266 VanDerWaalsContact O-CB 3.27Å; P1256-F1266 WeakPolarHBondContact O-CB 3.35Å
1257L83.1Confident83.2Confident18 Ų1850.5 Ų50.59%0.09430%0.296CS..  trans-96.6109.6-179.1-56.3-170.4000110.8I1228 L1233 L1235 T1252 V1264 F1266 L1276I1228-L1257 HydrophobicContact CD1-CB 3.63Å; I1228-L1257 HydrophobicContact CD1-CD1 4.16Å; I1228-L1257 HydrophobicContact CG1-CB 4.29Å; L1233-L1257 HydrophobicContact CD2-CD1 4.15Å; L1233-L1257 HydrophobicContact CG-CD1 4.45Å; L1235-L1257 HydrophobicContact CB-CD2 4.09Å; L1235-L1257 HydrophobicContact CD2-CD2 3.85Å; L1235-L1257 HydrophobicContact CG-CD2 4.49Å; T1252-L1257 HydrophobicContact CG2-CD1 4.24Å; L1257-V1264 HydrophobicContact CB-CG1 3.58Å; L1257-V1264 HydrophobicContact CD1-CG1 4.37Å; L1257-V1264 HydrophobicContact CD2-CG1 3.86Å; L1257-V1264 HydrophobicContact CG-CG1 4.12Å; L1257-F1266 HydrophobicContact CD2-CB 3.94Å; L1257-F1266 HydrophobicContact CD2-CD1 4.11Å; L1257-F1266 HydrophobicContact CD2-CG 4.13Å; L1257-L1276 HydrophobicContact CD1-CD2 3.81Å; L1257-L1276 HydrophobicContact CD2-CD2 4.26Å
1258T81.6Confident83.3Confident53 Ų5346.3 Ų46.333%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-100.6117.2172.739.90000110.1V1264 S1265T1258-V1264 CarbonylContact O-C 3.58Å; T1258-V1264 WeakPolarHBondContact O-CA 3.42Å; T1258-S1265 PolarHBondContact N-O 3.41Å; T1258-S1265 PolarHBondContact O-N 3.17Å; T1258-S1265 PolarHBondContact OG1-O 3.05Å
1259V76.7Confident83.2Confident28 Ų2847.6 Ų47.617%0.1728%0.281CS..EExtended strand (participates in β ladder)trans-81.4135.6175.4146.60000111.7L1208 I1228 S1263 V1264L1208-V1259 HydrophobicContact CD1-CG2 3.96Å; L1208-V1259 HydrophobicContact CD2-CG2 4.14Å; L1208-V1259 HydrophobicContact CG-CG2 4.26Å; I1228-V1259 HydrophobicContact CD1-CG2 3.52Å; I1228-V1259 HydrophobicContact CG1-CB 4.12Å; I1228-V1259 HydrophobicContact CG1-CG2 3.53Å; V1259-S1263 WeakPolarHBondContact CA-O 3.37Å; V1259-V1264 HydrophobicContact CG2-CG2 3.93Å
1260H72.7Confident83.2Confident107 Ų10743.9 Ų43.950%0.49526%0.264SS..EExtended strand (participates in β ladder)trans-128.3106.1168-64.2-50000107.9L1262 S1263H1260-L1262 PolarHBondContact O-N 2.91Å; H1260-S1263 PolarHBondContact N-O 2.85Å; H1260-S1263 PolarHBondContact O-N 3.25Å; H1260-S1263 PolarHBondContact O-OG 3.43Å
1261D75.1Confident83.3Confident154 Ų15441 Ų4182%0.82425%0.249SC*.THydrogen-bonded Turntrans53.8-84.1-176.4-53.9-36.7000114.7
1262L80.4Confident83.4Confident101 Ų10140 Ų4053%0.52924%0.244SC..THydrogen-bonded Turntrans-120.70179.6-65176.3000113.9L1208 I1213 H1260L1208-L1262 WeakPolarHBondContact CB-O 3.43Å; L1208-L1262 PolarHBondContact N-O 3.47Å; I1213-L1262 HydrophobicContact CD1-CD2 4.44Å; I1213-L1262 HydrophobicContact CG1-CD2 4.36Å; I1213-L1262 HydrophobicContact CG2-CD2 3.86Å; H1260-L1262 PolarHBondContact O-N 2.91Å
1263S83.8Confident83.8Confident21 Ų2138.6 Ų38.615%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-119.4162.1179.771.50000112.8T1205 V1259 H1260T1205-S1263 VanDerWaalsContact CG2-OG 3.31Å; T1205-S1263 WeakPolarHBondContact CG2-OG 3.49Å; V1259-S1263 WeakPolarHBondContact CA-O 3.37Å; H1260-S1263 PolarHBondContact N-O 2.85Å; H1260-S1263 PolarHBondContact O-N 3.25Å; H1260-S1263 PolarHBondContact O-OG 3.43Å
1264V86.5Confident84.6Confident0 Ų036 Ų360%021%0.207CC..EExtended strand (participates in β ladder)trans-115.9108.9179.8-173.40000108.5T1205 I1206 L1208 I1228 L1257 T1258 V1259 F1266 L1276T1205-V1264 VanDerWaalsContact CA-O 3.3Å; T1205-V1264 WeakPolarHBondContact CA-O 3.12Å; I1206-V1264 PolarHBondContact N-O 2.72Å; I1206-V1264 PolarHBondContact O-N 3.32Å; L1208-V1264 HydrophobicContact CD2-CG2 3.38Å; L1208-V1264 HydrophobicContact CG-CG2 3.75Å; I1228-V1264 HydrophobicContact CD1-CG1 3.98Å; I1228-V1264 HydrophobicContact CD1-CG2 3.81Å; L1257-V1264 HydrophobicContact CB-CG1 3.58Å; L1257-V1264 HydrophobicContact CD1-CG1 4.37Å; L1257-V1264 HydrophobicContact CD2-CG1 3.86Å; L1257-V1264 HydrophobicContact CG-CG1 4.12Å; T1258-V1264 CarbonylContact O-C 3.58Å; T1258-V1264 WeakPolarHBondContact O-CA 3.42Å; V1259-V1264 HydrophobicContact CG2-CG2 3.93Å; V1264-F1266 HydrophobicContact CG1-CD1 4.42Å; V1264-L1276 HydrophobicContact CB-CD1 3.88Å; V1264-L1276 HydrophobicContact CG1-CD1 4.45Å; V1264-L1276 HydrophobicContact CG2-CD1 3.58Å
1265S88.7Confident85.3Confident16 Ų1633.2 Ų33.211%0.11219%0.188CC..EExtended strand (participates in β ladder)trans-81.4139.2165.1-59.30000110.2L1204 T1205 T1258L1204-S1265 VanDerWaalsContact O-CA 3.3Å; L1204-S1265 WeakPolarHBondContact O-CA 3.37Å; T1205-S1265 WeakPolarHBondContact OG1-CB 3.27Å; T1205-S1265 PolarHBondContact OG1-OG 3.39Å; T1258-S1265 PolarHBondContact N-O 3.41Å; T1258-S1265 PolarHBondContact O-N 3.17Å; T1258-S1265 PolarHBondContact OG1-O 3.05Å
1266F89.5Confident85.8Confident4 Ų432.6 Ų32.62%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-154160.1171.364.1-88.9000110.2L1204 I1206 L1235 P1256 L1257 V1264 L1274L1204-F1266 HydrophobicContact CB-CD2 4.46Å; L1204-F1266 HydrophobicContact CB-CE1 4.18Å; L1204-F1266 HydrophobicContact CB-CE2 4.04Å; L1204-F1266 HydrophobicContact CB-CZ 3.88Å; L1204-F1266 HydrophobicContact CD1-CE2 4Å; L1204-F1266 HydrophobicContact CD2-CZ 4.26Å; L1204-F1266 HydrophobicContact CG-CE2 4.41Å; L1204-F1266 HydrophobicContact CG-CZ 4.44Å; L1204-F1266 PolarHBondContact N-O 3.29Å; L1204-F1266 PolarHBondContact O-N 3.47Å; L1204-F1266 VanDerWaalsContact O-O 3.11Å; I1206-F1266 HydrophobicContact CB-CE1 4.44Å; I1206-F1266 HydrophobicContact CD1-CE1 3.61Å; I1206-F1266 HydrophobicContact CD1-CZ 3.66Å; I1206-F1266 HydrophobicContact CG1-CE1 3.82Å; I1206-F1266 HydrophobicContact CG1-CZ 4.27Å; L1235-F1266 HydrophobicContact CD1-CE1 3.85Å; L1235-F1266 HydrophobicContact CD1-CE2 4.05Å; L1235-F1266 HydrophobicContact CD1-CZ 3.57Å; L1235-F1266 HydrophobicContact CD2-CD1 4.28Å; L1235-F1266 HydrophobicContact CD2-CD2 3.59Å; L1235-F1266 HydrophobicContact CD2-CE1 4.26Å; L1235-F1266 HydrophobicContact CD2-CE2 3.57Å; L1235-F1266 HydrophobicContact CD2-CG 3.96Å; L1235-F1266 HydrophobicContact CD2-CZ 3.93Å; L1235-F1266 HydrophobicContact CG-CE2 4.45Å; L1235-F1266 HydrophobicContact CG-CZ 4.42Å; P1256-F1266 VanDerWaalsContact O-CB 3.27Å; P1256-F1266 WeakPolarHBondContact O-CB 3.35Å; L1257-F1266 HydrophobicContact CD2-CB 3.94Å; L1257-F1266 HydrophobicContact CD2-CD1 4.11Å; L1257-F1266 HydrophobicContact CD2-CG 4.13Å; V1264-F1266 HydrophobicContact CG1-CD1 4.42Å; F1266-L1274 HydrophobicContact CE2-CD1 4.01Å; F1266-L1274 HydrophobicContact CE2-CD2 4.19Å; F1266-L1274 HydrophobicContact CZ-CB 4.3Å; F1266-L1274 HydrophobicContact CZ-CD1 4.24Å; F1266-L1274 HydrophobicContact CZ-CD2 4.49Å
1267T90.1Very high86.4Confident56 Ų5630 Ų3034%0.34417%0.166SC..EExtended strand (participates in β ladder)trans-101.9134-177.853.60000112.8P1201 I1202 S1255P1201-T1267 HydrophobicContact CB-CG2 4.33Å; I1202-T1267 CarbonylContact O-C 3.46Å; I1202-T1267 VanDerWaalsContact O-CA 3.23Å; I1202-T1267 WeakPolarHBondContact O-CA 3.34Å; S1255-T1267 PolarHBondContact OG-O 3.48Å
1268S88.3Confident86.6Confident13 Ų1329.4 Ų29.49%0.09116%0.164CC..EExtended strand (participates in β ladder)trans-112.7160.6164.8-172.80000111.5P1201 I1202 V1270P1201-S1268 CarbonylContact C-O 3.51Å; P1201-S1268 WeakPolarHBondContact CA-O 3.47Å; I1202-S1268 VanDerWaalsContact CG1-O 3.29Å; I1202-S1268 WeakPolarHBondContact CG1-O 3.48Å; I1202-S1268 PolarHBondContact N-O 2.95Å; I1202-S1268 PolarHBondContact O-N 3.49Å; S1268-V1270 PolarHBondContact OG-N 3.34Å; S1268-V1270 PolarHBondContact OG-O 2.95Å
1269T88.3Confident86.6Confident38 Ų3827 Ų2723%0.23315%0.148CC..EExtended strand (participates in β ladder)trans-122-1.9176.446.40000113F1198 P1201 R1964F1198-T1269 PolarHBondContact N-O 3.49Å; P1201-T1269 HydrophobicContact CB-CG2 3.9Å; T1269-R1964 VanDerWaalsContact OG1-CZ 3.26Å; T1269-R1964 PolarHBondContact OG1-NH2 3.14Å
1270V88.6Confident86.7Confident11 Ų1129.3 Ų29.37%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-140.3140.3178.3-173.10000107.9R1196 S1268R1196-V1270 WeakPolarHBondContact O-CA 3.39Å; S1268-V1270 PolarHBondContact OG-N 3.34Å; S1268-V1270 PolarHBondContact OG-O 2.95Å
1271S89.4Confident87.1Confident1 Ų127 Ų271%0.00716%0.155CC..  trans-70.1125.5172550000111I1191 P1193 R1194 R1195 R1196I1191-S1271 WeakPolarHBondContact O-CB 3.4Å; P1193-S1271 PolarHBondContact O-OG 2.77Å; R1194-S1271 WeakPolarHBondContact CA-OG 3.46Å; R1195-S1271 PolarHBondContact N-O 3.44Å; R1195-S1271 PolarHBondContact N-OG 2.95Å; R1196-S1271 WeakPolarHBondContact CA-OG 3.49Å; R1196-S1271 WeakPolarHBondContact CB-OG 3.42Å; R1196-S1271 PolarHBondContact N-OG 3.32Å; R1196-S1271 PolarHBondContact O-N 2.97Å; R1196-S1271 PolarHBondContact O-OG 3.18Å
1272A91.2Very high87.3Confident1 Ų122.8 Ų22.81%0.00813%0.133CC..  trans-152.8173.3-169.700000110.5T1190 I1191 C1237 S1238 I1239 L1274T1190-A1272 WeakPolarHBondContact CA-O 3.47Å; I1191-A1272 PolarHBondContact N-O 2.89Å; C1237-A1272 VanDerWaalsContact SG-CB 3.58Å; S1238-A1272 WeakPolarHBondContact O-CA 3.32Å; S1238-A1272 WeakPolarHBondContact O-CB 3.23Å; I1239-A1272 HydrophobicContact CG2-CB 4.14Å; A1272-L1274 HydrophobicContact CB-CG 4.42Å
1273R92.7Very high87.4Confident5 Ų524.4 Ų24.42%0.01915%0.147CC..EExtended strand (participates in β ladder)trans-88.1135.2162.3-50.8-158174.8114.4-18.8109.5D1024 I1188 V1189 T1190 C1237 S1238 W1248 Y1293D1024-R1273 IonicContact OD2-CZ 3.8Å; D1024-R1273 IonicContact OD2-NH1 3.07Å; D1024-R1273 PolarHBondContact OD2-NH1 3.23Å; D1024-R1273 IonicContact OD2-NH2 3.11Å; D1024-R1273 PolarHBondContact OD2-NH2 3.05Å; I1188-R1273 HydrophobicContact CG2-CB 4.39Å; V1189-R1273 CarbonylContact O-C 3.44Å; V1189-R1273 WeakPolarHBondContact O-CA 3.08Å; T1190-R1273 HydrophobicContact CG2-CG 3.83Å; T1190-R1273 WeakPolarHBondContact OG1-CG 3.48Å; C1237-R1273 CarbonylContact C-O 3.56Å; C1237-R1273 VanDerWaalsContact CA-O 3.28Å; C1237-R1273 WeakPolarHBondContact CA-O 3.43Å; S1238-R1273 PolarHBondContact N-O 3.04Å; S1238-R1273 PolarHBondContact O-N 3.4Å; W1248-R1273 HydrophobicContact CH2-CB 3.87Å; W1248-R1273 HydrophobicContact CZ3-CB 4.29Å; R1273-Y1293 WeakPolarHBondContact CD-OH 3.33Å; R1273-Y1293 PolarHBondContact NH1-OH 3.09Å
1274L92.8Very high87.3Confident0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-142.6134.6-169.6-71.7159.5000111.9V1189 L1204 I1206 L1235 L1236 C1237 I1251 F1266 A1272V1189-L1274 PolarHBondContact N-O 2.92Å; V1189-L1274 PolarHBondContact O-N 3.48Å; L1204-L1274 HydrophobicContact CD1-CD1 3.88Å; L1204-L1274 HydrophobicContact CD2-CD1 3.58Å; L1204-L1274 HydrophobicContact CG-CD1 4.38Å; I1206-L1274 HydrophobicContact CD1-CB 4.43Å; L1235-L1274 HydrophobicContact CD1-CD2 4.35Å; L1236-L1274 WeakPolarHBondContact O-CA 3.32Å; C1237-L1274 HydrophobicContact CB-CD2 3.84Å; I1251-L1274 HydrophobicContact CD1-CD2 3.67Å; F1266-L1274 HydrophobicContact CE2-CD1 4.01Å; F1266-L1274 HydrophobicContact CE2-CD2 4.19Å; F1266-L1274 HydrophobicContact CZ-CB 4.3Å; F1266-L1274 HydrophobicContact CZ-CD1 4.24Å; F1266-L1274 HydrophobicContact CZ-CD2 4.49Å; A1272-L1274 HydrophobicContact CB-CG 4.42Å
1275W93.8Very high87.3Confident0 Ų027.6 Ų27.60%016%0.16CC..EExtended strand (participates in β ladder)trans-155.8156.3173.462.4-33.7000113.5V1170 V1185 I1188 L1235 L1236 W1248 V1277 A1289 V1292V1170-W1275 HydrophobicContact CG2-CE3 4.41Å; V1170-W1275 HydrophobicContact CG2-CZ3 4.04Å; V1185-W1275 HydrophobicContact CB-CE3 3.8Å; V1185-W1275 HydrophobicContact CB-CZ3 3.88Å; V1185-W1275 HydrophobicContact CG1-CE3 4.09Å; V1185-W1275 HydrophobicContact CG1-CZ3 3.79Å; V1185-W1275 HydrophobicContact CG2-CE3 4.14Å; V1185-W1275 HydrophobicContact CG2-CZ3 3.97Å; I1188-W1275 HydrophobicContact CB-CB 4.36Å; I1188-W1275 HydrophobicContact CD1-CD2 3.89Å; I1188-W1275 HydrophobicContact CD1-CE3 3.78Å; I1188-W1275 HydrophobicContact CD1-CG 4.47Å; I1188-W1275 HydrophobicContact CD1-CH2 4.06Å; I1188-W1275 HydrophobicContact CD1-CZ2 4.14Å; I1188-W1275 HydrophobicContact CD1-CZ3 3.88Å; I1188-W1275 HydrophobicContact CG1-CB 3.95Å; I1188-W1275 HydrophobicContact CG1-CD2 3.66Å; I1188-W1275 HydrophobicContact CG1-CE3 3.53Å; I1188-W1275 HydrophobicContact CG1-CG 3.91Å; I1188-W1275 HydrophobicContact CG1-CZ3 4.11Å; L1235-W1275 CarbonylContact C-O 3.6Å; L1235-W1275 WeakPolarHBondContact CA-O 3.41Å; L1236-W1275 PolarHBondContact N-O 2.98Å; L1236-W1275 PolarHBondContact O-N 3.28Å; W1248-W1275 AromaticContact CD2-NE1 3.69Å; W1248-W1275 AromaticContact CE2-NE1 3.8Å; W1248-W1275 AromaticContact CE3-CD1 3.84Å; W1248-W1275 AromaticContact CE3-NE1 3.39Å; W1248-W1275 AromaticContact CH2-CD1 3.58Å; W1248-W1275 HydrophobicContact CH2-CG 4.44Å; W1248-W1275 AromaticContact CH2-NE1 3.37Å; W1248-W1275 HydrophobicContact CZ2-CZ2 4.37Å; W1248-W1275 AromaticContact CZ2-NE1 3.65Å; W1248-W1275 AromaticContact CZ3-CD1 3.31Å; W1248-W1275 HydrophobicContact CZ3-CG 4.47Å; W1248-W1275 AromaticContact CZ3-NE1 3.23Å; W1275-V1277 HydrophobicContact CD2-CG2 3.9Å; W1275-V1277 HydrophobicContact CE3-CG2 4.14Å; W1275-V1277 HydrophobicContact CG-CG2 4.35Å; W1275-V1277 HydrophobicContact CZ2-CG2 4.47Å; W1275-A1289 HydrophobicContact CH2-CB 4.25Å; W1275-A1289 HydrophobicContact CZ2-CB 3.66Å; W1275-A1289 WeakPolarHBondContact CZ2-O 3.33Å; W1275-V1292 HydrophobicContact CH2-CB 4.16Å; W1275-V1292 HydrophobicContact CH2-CG1 3.78Å; W1275-V1292 HydrophobicContact CZ3-CG1 3.99Å
1276L91.2Very high87.3Confident0 Ų029.4 Ų29.40%017%0.17CC..EExtended strand (participates in β ladder)trans-95.4134.8173.4-58.7167.8000110.1V1185 S1186 P1209 L1233 R1234 L1235 L1257 V1264V1185-L1276 CarbonylContact C-O 3.43Å; V1185-L1276 WeakPolarHBondContact CA-O 3.46Å; S1186-L1276 PolarHBondContact N-O 3.46Å; S1186-L1276 PolarHBondContact OG-N 3.12Å; P1209-L1276 HydrophobicContact CG-CB 3.84Å; L1233-L1276 HydrophobicContact CD1-CB 4.07Å; R1234-L1276 CarbonylContact O-C 3.56Å; R1234-L1276 VanDerWaalsContact O-CA 3.25Å; R1234-L1276 WeakPolarHBondContact O-CA 3.07Å; L1235-L1276 HydrophobicContact CB-CD2 3.87Å; L1235-L1276 HydrophobicContact CD1-CD2 3.87Å; L1235-L1276 HydrophobicContact CD1-CG 4.45Å; L1235-L1276 HydrophobicContact CG-CD2 4.44Å; L1257-L1276 HydrophobicContact CD1-CD2 3.81Å; L1257-L1276 HydrophobicContact CD2-CD2 4.26Å; V1264-L1276 HydrophobicContact CB-CD1 3.88Å; V1264-L1276 HydrophobicContact CG1-CD1 4.45Å; V1264-L1276 HydrophobicContact CG2-CD1 3.58Å
1277V90.1Very high87.2Confident2 Ų234.6 Ų34.61%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-128.6108.5177.7179.20000107.7V1183 V1185 R1234 L1236 W1275 C1279 V1285 A1289V1183-V1277 HydrophobicContact CG1-CG1 4.19Å; V1185-V1277 HydrophobicContact CG1-CB 4.38Å; V1185-V1277 HydrophobicContact CG1-CG1 4.18Å; V1185-V1277 HydrophobicContact CG1-CG2 3.96Å; R1234-V1277 WeakPolarHBondContact CB-O 3.27Å; R1234-V1277 PolarHBondContact N-O 2.9Å; R1234-V1277 PolarHBondContact O-N 2.64Å; L1236-V1277 HydrophobicContact CD1-CB 4.38Å; L1236-V1277 HydrophobicContact CD1-CG2 3.77Å; L1236-V1277 HydrophobicContact CG-CG2 4.15Å; W1275-V1277 HydrophobicContact CD2-CG2 3.9Å; W1275-V1277 HydrophobicContact CE3-CG2 4.14Å; W1275-V1277 HydrophobicContact CG-CG2 4.35Å; W1275-V1277 HydrophobicContact CZ2-CG2 4.47Å; V1277-C1279 HydrophobicContact CG1-CB 4.07Å; V1277-C1279 PolarHBondContact O-N 2.88Å; V1277-V1285 HydrophobicContact CB-CG2 4.2Å; V1277-V1285 HydrophobicContact CG1-CG2 3.71Å; V1277-A1289 HydrophobicContact CG2-CB 4.26Å
1278D86.7Confident87Confident7 Ų732.6 Ų32.64%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-85.797.8172.4-173.528.1000108.6V1183 S1184 P1209 A1212 S1232 L1233V1183-D1278 CarbonylContact C-O 3.49Å; V1183-D1278 VanDerWaalsContact CA-O 3.27Å; V1183-D1278 WeakPolarHBondContact CA-O 3.17Å; S1184-D1278 PolarHBondContact N-O 3.26Å; S1184-D1278 PolarHBondContact O-N 3.47Å; P1209-D1278 HydrophobicContact CB-CB 3.96Å; P1209-D1278 HydrophobicContact CG-CB 4.19Å; A1212-D1278 PolarHBondContact N-OD2 3.41Å; S1232-D1278 WeakPolarHBondContact CB-OD1 3.28Å; S1232-D1278 CarbonylContact O-C 3.53Å; S1232-D1278 WeakPolarHBondContact O-CA 2.97Å; S1232-D1278 PolarHBondContact OG-OD1 3.5Å; L1233-D1278 HydrophobicContact CD1-CB 3.98Å
1279C82.4Confident86.9Confident1 Ų132.1 Ų32.11%0.00718%0.178CC..  trans-128.8125.8-175.8-171.70000111.8V1183 S1232 V1277 N1281 V1285V1183-C1279 HydrophobicContact CG1-CB 4Å; V1183-C1279 HydrophobicContact CG2-CB 4.35Å; S1232-C1279 WeakPolarHBondContact CA-O 3.33Å; S1232-C1279 WeakPolarHBondContact CB-O 3.14Å; S1232-C1279 PolarHBondContact O-N 3.31Å; V1277-C1279 HydrophobicContact CG1-CB 4.07Å; V1277-C1279 PolarHBondContact O-N 2.88Å; C1279-N1281 VanDerWaalsContact C-N 3.25Å; C1279-N1281 PolarHBondContact O-N 3.04Å; C1279-N1281 PolarHBondContact SG-N 3.15Å; C1279-N1281 VanDerWaalsContact SG-N 3.44Å; C1279-V1285 HydrophobicContact CB-CG2 3.87Å
1280P79.2Confident86.9Confident77 Ų7731.7 Ų31.750%0.518%0.177SC..SBendtrans-66.7-24.9174.4-2031.5000113.8R1182 I1282R1182-P1280 HydrophobicContact CB-CG 3.82Å; R1182-P1280 VanDerWaalsContact O-CD 3.3Å; R1182-P1280 WeakPolarHBondContact O-CD 3.29Å; P1280-I1282 PolarHBondContact O-N 3.41Å
1281N80.4Confident86.8Confident58 Ų5836 Ų3631%0.3119%0.192SC..  trans-99.779179.4-168.5-3.9000110.6C1279 T1283 E1284 V1285C1279-N1281 VanDerWaalsContact C-N 3.25Å; C1279-N1281 PolarHBondContact O-N 3.04Å; C1279-N1281 PolarHBondContact SG-N 3.15Å; C1279-N1281 VanDerWaalsContact SG-N 3.44Å; N1281-T1283 VanDerWaalsContact C-N 3.26Å; N1281-T1283 PolarHBondContact O-N 3.49Å; N1281-T1283 PolarHBondContact OD1-OG1 2.88Å; N1281-E1284 PolarHBondContact ND2-OE1 2.75Å; N1281-E1284 PolarHBondContact ND2-OE2 2.93Å; N1281-E1284 VanDerWaalsContact ND2-OE2 3.11Å; N1281-E1284 PolarHBondContact O-N 2.97Å; N1281-V1285 PolarHBondContact O-N 3.29Å
1282I80Confident86.8Confident67 Ų6736 Ų3634%0.34419%0.192SC..G310 helixtrans-59.5-36.2-174.4-61.1152.5000111.9P1231 R1234 P1280 E1284 V1285P1231-I1282 WeakPolarHBondContact O-CD1 3.41Å; R1234-I1282 VanDerWaalsContact CZ-CG2 3.41Å; P1280-I1282 PolarHBondContact O-N 3.41Å; I1282-E1284 VanDerWaalsContact C-N 3.3Å; I1282-E1284 PolarHBondContact O-N 3.37Å; I1282-V1285 WeakPolarHBondContact O-CB 3.42Å; I1282-V1285 WeakPolarHBondContact O-CG1 3.39Å; I1282-V1285 PolarHBondContact O-N 3.35Å
1283T81.7Confident86.7Confident135 Ų13536.2 Ų36.283%0.82819%0.192SC*.G310 helixtrans-64.5-31.5-176.523.70000113.9N1281N1281-T1283 VanDerWaalsContact C-N 3.26Å; N1281-T1283 PolarHBondContact O-N 3.49Å; N1281-T1283 PolarHBondContact OD1-OG1 2.88Å
1284E82.3Confident86.4Confident84 Ų8441.4 Ų41.439%0.39322%0.216SC..G310 helixtrans-96.7-0.2178.8-70.7163.9-137.600112.2N1281 I1282 V1286 E1287 L1288N1281-E1284 PolarHBondContact ND2-OE1 2.75Å; N1281-E1284 PolarHBondContact ND2-OE2 2.93Å; N1281-E1284 VanDerWaalsContact ND2-OE2 3.11Å; N1281-E1284 PolarHBondContact O-N 2.97Å; I1282-E1284 VanDerWaalsContact C-N 3.3Å; I1282-E1284 PolarHBondContact O-N 3.37Å; E1284-V1286 VanDerWaalsContact C-N 3.27Å; E1284-V1286 PolarHBondContact O-N 3.3Å; E1284-V1286 VanDerWaalsContact O-N 3.1Å; E1284-E1287 PolarHBondContact O-N 2.85Å; E1284-L1288 HydrophobicContact CB-CD1 3.53Å; E1284-L1288 HydrophobicContact CB-CG 3.79Å; E1284-L1288 WeakPolarHBondContact O-CB 3.47Å; E1284-L1288 VanDerWaalsContact O-CG 3.28Å; E1284-L1288 WeakPolarHBondContact O-CG 3.15Å; E1284-L1288 PolarHBondContact O-N 2.83Å
1285V86.8Confident86.1Confident4 Ų444.4 Ų44.42%0.02423%0.231CC..Hα-helixtrans-56.7-37.2-165.876.50000113.6R1234 L1236 V1277 C1279 N1281 I1282 A1289R1234-V1285 HydrophobicContact CB-CG2 4.33Å; R1234-V1285 HydrophobicContact CG-CG1 4.48Å; R1234-V1285 HydrophobicContact CG-CG2 4.25Å; L1236-V1285 HydrophobicContact CD2-CG1 4.26Å; V1277-V1285 HydrophobicContact CB-CG2 4.2Å; V1277-V1285 HydrophobicContact CG1-CG2 3.71Å; C1279-V1285 HydrophobicContact CB-CG2 3.87Å; N1281-V1285 PolarHBondContact O-N 3.29Å; I1282-V1285 WeakPolarHBondContact O-CB 3.42Å; I1282-V1285 WeakPolarHBondContact O-CG1 3.39Å; I1282-V1285 PolarHBondContact O-N 3.35Å; V1285-A1289 WeakPolarHBondContact O-CB 3.22Å; V1285-A1289 PolarHBondContact O-N 3.34Å
1286V88Confident85.7Confident54 Ų5445.1 Ų45.133%0.32724%0.236SC..Hα-helixtrans-69.1-39.1178.1171.60000111.6W1248 E1284 S1290W1248-V1286 HydrophobicContact CB-CG1 4.17Å; W1248-V1286 VanDerWaalsContact O-CG1 3.24Å; W1248-V1286 WeakPolarHBondContact O-CG1 3.21Å; E1284-V1286 VanDerWaalsContact C-N 3.27Å; E1284-V1286 PolarHBondContact O-N 3.3Å; E1284-V1286 VanDerWaalsContact O-N 3.1Å; V1286-S1290 VanDerWaalsContact O-CB 3.24Å; V1286-S1290 WeakPolarHBondContact O-CB 3.49Å; V1286-S1290 PolarHBondContact O-N 3.33Å; V1286-S1290 PolarHBondContact O-OG 2.81Å
1287E87.5Confident85.5Confident112 Ų11246 Ų4652%0.52324%0.24SC..Hα-helixtrans-75.8-43.9-179.8-162.8-150.711100111.2E1284 A1289 S1290 R1291E1284-E1287 PolarHBondContact O-N 2.85Å; E1287-A1289 PolarHBondContact O-N 3.34Å; E1287-S1290 PolarHBondContact O-N 2.87Å; E1287-R1291 WeakPolarHBondContact O-CG 3.23Å; E1287-R1291 PolarHBondContact O-N 2.85Å; E1287-R1291 IonicContact OE1-CZ 2.71Å; E1287-R1291 VanDerWaalsContact OE1-CZ 3.23Å; E1287-R1291 IonicContact OE1-NE 2.77Å; E1287-R1291 PolarHBondContact OE1-NE 2.89Å; E1287-R1291 IonicContact OE1-NH2 3.9Å; E1287-R1291 PolarHBondContact OE1-NH2 2.91Å
1288L85.1Confident85.3Confident15 Ų1546.7 Ų46.78%0.07925%0.246CC..Hα-helixtrans-57.3-47.1172.7-68167.1000111.1L1179 E1284 R1291 V1292L1179-L1288 HydrophobicContact CD1-CB 3.85Å; L1179-L1288 HydrophobicContact CD1-CD2 4.37Å; L1179-L1288 HydrophobicContact CD2-CB 4.24Å; L1179-L1288 HydrophobicContact CD2-CD2 3.55Å; L1179-L1288 HydrophobicContact CD2-CG 4.49Å; L1179-L1288 HydrophobicContact CG-CD2 4.46Å; E1284-L1288 HydrophobicContact CB-CD1 3.53Å; E1284-L1288 HydrophobicContact CB-CG 3.79Å; E1284-L1288 WeakPolarHBondContact O-CB 3.47Å; E1284-L1288 VanDerWaalsContact O-CG 3.28Å; E1284-L1288 WeakPolarHBondContact O-CG 3.15Å; E1284-L1288 PolarHBondContact O-N 2.83Å; L1288-R1291 PolarHBondContact O-N 3.2Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.4Å; L1288-V1292 PolarHBondContact O-N 2.79Å
1289A86.7Confident85.4Confident2 Ų246.9 Ų46.92%0.01725%0.248CC..Hα-helixtrans-69.6-35.5176.900000112.4L1236 W1275 V1277 V1285 E1287 R1291 V1292 Y1293L1236-A1289 HydrophobicContact CD1-CB 3.25Å; W1275-A1289 HydrophobicContact CH2-CB 4.25Å; W1275-A1289 HydrophobicContact CZ2-CB 3.66Å; W1275-A1289 WeakPolarHBondContact CZ2-O 3.33Å; V1277-A1289 HydrophobicContact CG2-CB 4.26Å; V1285-A1289 WeakPolarHBondContact O-CB 3.22Å; V1285-A1289 PolarHBondContact O-N 3.34Å; E1287-A1289 PolarHBondContact O-N 3.34Å; A1289-R1291 VanDerWaalsContact C-N 3.35Å; A1289-V1292 PolarHBondContact O-N 3.14Å; A1289-Y1293 VanDerWaalsContact O-CB 3.22Å; A1289-Y1293 WeakPolarHBondContact O-CB 3.14Å; A1289-Y1293 PolarHBondContact O-N 3.49Å
1290S88.7Confident85.7Confident30 Ų3047.6 Ų47.621%0.2125%0.252CS..Hα-helixtrans-63.2-41.2173.5-63.40000111.4V1286 E1287 Y1293 H1294V1286-S1290 VanDerWaalsContact O-CB 3.24Å; V1286-S1290 WeakPolarHBondContact O-CB 3.49Å; V1286-S1290 PolarHBondContact O-N 3.33Å; V1286-S1290 PolarHBondContact O-OG 2.81Å; E1287-S1290 PolarHBondContact O-N 2.87Å; S1290-Y1293 PolarHBondContact O-N 2.84Å; S1290-H1294 PolarHBondContact O-N 2.83Å; S1290-H1294 VanDerWaalsContact O-N 3.1Å; S1290-H1294 PolarHBondContact O-ND1 3.22Å
1291R86.8Confident86.1Confident102 Ų10244.2 Ų44.239%0.38523%0.23SC..Hα-helixtrans-62.4-51.1173.9-74.6-174.8-94.8136.9-9.8111.8M1178 E1287 L1288 A1289 Y1293 H1294 E1295M1178-R1291 HydrophobicContact CE-CB 4.43Å; E1287-R1291 WeakPolarHBondContact O-CG 3.23Å; E1287-R1291 PolarHBondContact O-N 2.85Å; E1287-R1291 IonicContact OE1-CZ 2.71Å; E1287-R1291 VanDerWaalsContact OE1-CZ 3.23Å; E1287-R1291 IonicContact OE1-NE 2.77Å; E1287-R1291 PolarHBondContact OE1-NE 2.89Å; E1287-R1291 IonicContact OE1-NH2 3.9Å; E1287-R1291 PolarHBondContact OE1-NH2 2.91Å; L1288-R1291 PolarHBondContact O-N 3.2Å; A1289-R1291 VanDerWaalsContact C-N 3.35Å; R1291-Y1293 VanDerWaalsContact C-N 3.27Å; R1291-Y1293 PolarHBondContact O-N 3.41Å; R1291-H1294 PolarHBondContact O-N 3.45Å; R1291-E1295 PolarHBondContact O-N 3.32Å; R1291-E1295 VanDerWaalsContact O-N 3.16Å
1292V88.5Confident86.5Confident1 Ų143.2 Ų43.21%0.00622%0.224CC..Hα-helixtrans-59.5-38175.7168.80000111.7V1170 V1175 M1178 L1179 W1275 L1288 A1289 S1296V1170-V1292 HydrophobicContact CG1-CG1 3.86Å; V1175-V1292 HydrophobicContact CG2-CG1 3.82Å; V1175-V1292 HydrophobicContact CG2-CG2 4.44Å; M1178-V1292 HydrophobicContact SD-CG2 4.11Å; L1179-V1292 HydrophobicContact CD1-CG2 3.52Å; L1179-V1292 HydrophobicContact CD2-CG2 4.18Å; L1179-V1292 HydrophobicContact CG-CG2 3.72Å; W1275-V1292 HydrophobicContact CH2-CB 4.16Å; W1275-V1292 HydrophobicContact CH2-CG1 3.78Å; W1275-V1292 HydrophobicContact CZ3-CG1 3.99Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.4Å; L1288-V1292 PolarHBondContact O-N 2.79Å; A1289-V1292 PolarHBondContact O-N 3.14Å; V1292-S1296 WeakPolarHBondContact O-CB 3.21Å; V1292-S1296 PolarHBondContact O-N 3.04Å; V1292-S1296 PolarHBondContact O-OG 3.19Å
1293Y89.5Confident86.8Confident5 Ų540 Ų402%0.0221%0.208CC..Hα-helixtrans-62.7-55.5179.2179.1-119.7000111.7I1188 A1246 W1248 R1273 A1289 S1290 R1291 E1295 S1296 L1297I1188-Y1293 HydrophobicContact CD1-CD2 3.45Å; I1188-Y1293 VanDerWaalsContact CD1-CD2 3.45Å; I1188-Y1293 HydrophobicContact CD1-CE2 3.86Å; A1246-Y1293 HydrophobicContact CB-CD1 4.03Å; A1246-Y1293 HydrophobicContact CB-CE1 3.26Å; W1248-Y1293 AromaticContact CE2-CG 3.92Å; W1248-Y1293 HydrophobicContact CZ2-CD1 4.12Å; W1248-Y1293 AromaticContact CZ2-CD2 3.68Å; W1248-Y1293 HydrophobicContact CZ2-CD2 3.68Å; W1248-Y1293 HydrophobicContact CZ2-CE1 4.24Å; W1248-Y1293 AromaticContact CZ2-CE2 3.8Å; W1248-Y1293 HydrophobicContact CZ2-CE2 3.8Å; W1248-Y1293 AromaticContact CZ2-CG 3.81Å; W1248-Y1293 HydrophobicContact CZ2-CG 3.81Å; W1248-Y1293 AromaticContact NE1-CD1 3.34Å; W1248-Y1293 VanDerWaalsContact NE1-CD1 3.34Å; W1248-Y1293 AromaticContact NE1-CG 3.43Å; R1273-Y1293 WeakPolarHBondContact CD-OH 3.33Å; R1273-Y1293 PolarHBondContact NH1-OH 3.09Å; A1289-Y1293 VanDerWaalsContact O-CB 3.22Å; A1289-Y1293 WeakPolarHBondContact O-CB 3.14Å; A1289-Y1293 PolarHBondContact O-N 3.49Å; S1290-Y1293 PolarHBondContact O-N 2.84Å; R1291-Y1293 VanDerWaalsContact C-N 3.27Å; R1291-Y1293 PolarHBondContact O-N 3.41Å; Y1293-E1295 VanDerWaalsContact C-N 3.34Å; Y1293-E1295 PolarHBondContact O-N 2.98Å; Y1293-S1296 CarbonylContact O-C 3.55Å; Y1293-S1296 PolarHBondContact O-N 2.77Å; Y1293-S1296 VanDerWaalsContact O-N 3.08Å; Y1293-S1296 PolarHBondContact O-OG 3.02Å; Y1293-L1297 HydrophobicContact CD1-CD1 4.09Å; Y1293-L1297 HydrophobicContact CD2-CD1 4.44Å; Y1293-L1297 HydrophobicContact CD2-CD2 4.41Å; Y1293-L1297 HydrophobicContact CD2-CG 4.15Å; Y1293-L1297 HydrophobicContact CE1-CD1 3.52Å; Y1293-L1297 HydrophobicContact CE1-CG 4.26Å; Y1293-L1297 HydrophobicContact CE2-CD1 3.94Å; Y1293-L1297 HydrophobicContact CE2-CD2 3.73Å; Y1293-L1297 HydrophobicContact CE2-CG 3.82Å; Y1293-L1297 VanDerWaalsContact CZ-CD1 3.48Å; Y1293-L1297 WeakPolarHBondContact O-CG 3.48Å; Y1293-L1297 PolarHBondContact O-N 2.78Å
1294H87.2Confident87.1Confident113 Ų11335.8 Ų35.852%0.52318%0.178SC..Hα-helixtrans-58.6-45.1-179-72.682000111.6S1290 R1291 S1296 L1297S1290-H1294 PolarHBondContact O-N 2.83Å; S1290-H1294 VanDerWaalsContact O-N 3.1Å; S1290-H1294 PolarHBondContact O-ND1 3.22Å; R1291-H1294 PolarHBondContact O-N 3.45Å; H1294-S1296 VanDerWaalsContact C-N 3.33Å; H1294-S1296 PolarHBondContact O-N 2.79Å; H1294-L1297 PolarHBondContact O-N 2.96Å
1295E85Confident87.5Confident64 Ų6431.8 Ų31.830%0.29916%0.16SC..Hα-helixtrans-64.8-36.5176.5-165.7122.4147.900112.1L1174 M1178 R1291 Y1293 L1297 A1298L1174-E1295 HydrophobicContact CD1-CG 3.96Å; M1178-E1295 HydrophobicContact CE-CB 3.69Å; M1178-E1295 HydrophobicContact CE-CG 3.95Å; M1178-E1295 WeakPolarHBondContact CE-OE2 3.39Å; M1178-E1295 HydrophobicContact SD-CB 3.72Å; M1178-E1295 HydrophobicContact SD-CG 3.87Å; R1291-E1295 PolarHBondContact O-N 3.32Å; R1291-E1295 VanDerWaalsContact O-N 3.16Å; Y1293-E1295 VanDerWaalsContact C-N 3.34Å; Y1293-E1295 PolarHBondContact O-N 2.98Å; E1295-L1297 VanDerWaalsContact C-N 3.28Å; E1295-L1297 PolarHBondContact O-N 3.24Å; E1295-A1298 WeakPolarHBondContact O-CB 3.39Å; E1295-A1298 PolarHBondContact O-N 3.36Å
1296S86.1Confident87.7Confident15 Ų1531.6 Ų31.611%0.10516%0.159CC..Hα-helixtrans-72.3-15.9176.577.40000114.5H1168 V1292 Y1293 H1294H1168-S1296 PolarHBondContact CE1-O 3.3Å; H1168-S1296 VanDerWaalsContact CE1-O 3.25Å; H1168-S1296 PolarHBondContact NE2-O 3.39Å; V1292-S1296 WeakPolarHBondContact O-CB 3.21Å; V1292-S1296 PolarHBondContact O-N 3.04Å; V1292-S1296 PolarHBondContact O-OG 3.19Å; Y1293-S1296 CarbonylContact O-C 3.55Å; Y1293-S1296 PolarHBondContact O-N 2.77Å; Y1293-S1296 VanDerWaalsContact O-N 3.08Å; Y1293-S1296 PolarHBondContact O-OG 3.02Å; H1294-S1296 VanDerWaalsContact C-N 3.33Å; H1294-S1296 PolarHBondContact O-N 2.79Å
1297L86.9Confident87.8Confident17 Ų1729 Ų299%0.08914%0.143CC..THydrogen-bonded Turntrans-86.4-12.9178.5-75.3-175.3000113.5D1024 I1126 Y1293 H1294 E1295 V1299D1024-L1297 HydrophobicContact CB-CD1 3.58Å; I1126-L1297 HydrophobicContact CD1-CD2 3.98Å; Y1293-L1297 HydrophobicContact CD1-CD1 4.09Å; Y1293-L1297 HydrophobicContact CD2-CD1 4.44Å; Y1293-L1297 HydrophobicContact CD2-CD2 4.41Å; Y1293-L1297 HydrophobicContact CD2-CG 4.15Å; Y1293-L1297 HydrophobicContact CE1-CD1 3.52Å; Y1293-L1297 HydrophobicContact CE1-CG 4.26Å; Y1293-L1297 HydrophobicContact CE2-CD1 3.94Å; Y1293-L1297 HydrophobicContact CE2-CD2 3.73Å; Y1293-L1297 HydrophobicContact CE2-CG 3.82Å; Y1293-L1297 VanDerWaalsContact CZ-CD1 3.48Å; Y1293-L1297 WeakPolarHBondContact O-CG 3.48Å; Y1293-L1297 PolarHBondContact O-N 2.78Å; H1294-L1297 PolarHBondContact O-N 2.96Å; E1295-L1297 VanDerWaalsContact C-N 3.28Å; E1295-L1297 PolarHBondContact O-N 3.24Å; L1297-V1299 PolarHBondContact O-N 3.18Å
1298A86.1Confident87.9Confident18 Ų1823.7 Ų23.715%0.14912%0.118CC..PPolyproline II helixtrans-51.1122.7-177.200000110.8E1295 P1300 L1351 H1354E1295-A1298 WeakPolarHBondContact O-CB 3.39Å; E1295-A1298 PolarHBondContact O-N 3.36Å; A1298-P1300 WeakPolarHBondContact O-CD 3.49Å; A1298-L1351 HydrophobicContact CB-CB 4.12Å; A1298-L1351 HydrophobicContact CB-CD1 4.29Å; A1298-L1351 HydrophobicContact CB-CD2 4.49Å; A1298-H1354 WeakPolarHBondContact CB-CE1 3.3Å
1299V87.6Confident88.1Confident11 Ų1123 Ų237%0.06712%0.115CC..PPolyproline II helixtrans-72.4124.2-172.1-178.40000108.7T1124 L1297 Y1301 D1352T1124-V1299 HydrophobicContact CG2-CG1 3.61Å; L1297-V1299 PolarHBondContact O-N 3.18Å; V1299-Y1301 HydrophobicContact CB-CD2 4.5Å; V1299-Y1301 HydrophobicContact CB-CE2 3.68Å; V1299-Y1301 HydrophobicContact CG1-CD2 4.26Å; V1299-Y1301 HydrophobicContact CG1-CE1 4.21Å; V1299-Y1301 HydrophobicContact CG1-CE2 3.52Å; V1299-Y1301 VanDerWaalsContact O-CD2 3.24Å; V1299-Y1301 WeakPolarHBondContact O-CD2 3.21Å; V1299-Y1301 WeakPolarHBondContact O-CE2 3.4Å; V1299-D1352 HydrophobicContact CB-CB 4.43Å; V1299-D1352 PolarHBondContact O-N 3.17Å
1300P88.9Confident88.1Confident16 Ų1624.9 Ų24.910%0.10412%0.121CC..EExtended strand (participates in β ladder)trans-88.1130.2-178.435.5-34.2000110.5F1055 A1298 E1349 L1351F1055-P1300 HydrophobicContact CB-CB 4Å; F1055-P1300 HydrophobicContact CB-CG 4.31Å; F1055-P1300 WeakPolarHBondContact CB-O 3.22Å; F1055-P1300 HydrophobicContact CD1-CB 4.2Å; F1055-P1300 PolarHBondContact N-O 2.76Å; A1298-P1300 WeakPolarHBondContact O-CD 3.49Å; P1300-E1349 HydrophobicContact CB-CG 4.32Å; P1300-L1351 HydrophobicContact CB-CD2 3.8Å
1301Y89.5Confident87.8Confident6 Ų624.6 Ų24.62%0.02412%0.116CC..EExtended strand (participates in β ladder)trans-120.6161.4179.2-64.5-85.9000112L1028 Y1053 V1299 E1349 V1350 D1352 A1380 F1381L1028-Y1301 VanDerWaalsContact O-CE1 3.26Å; L1028-Y1301 WeakPolarHBondContact O-CE1 3.35Å; L1028-Y1301 PolarHBondContact O-OH 3.05Å; Y1053-Y1301 CarbonylContact O-C 3.58Å; Y1053-Y1301 WeakPolarHBondContact O-CA 3.47Å; V1299-Y1301 HydrophobicContact CB-CD2 4.5Å; V1299-Y1301 HydrophobicContact CB-CE2 3.68Å; V1299-Y1301 HydrophobicContact CG1-CD2 4.26Å; V1299-Y1301 HydrophobicContact CG1-CE1 4.21Å; V1299-Y1301 HydrophobicContact CG1-CE2 3.52Å; V1299-Y1301 VanDerWaalsContact O-CD2 3.24Å; V1299-Y1301 WeakPolarHBondContact O-CD2 3.21Å; V1299-Y1301 WeakPolarHBondContact O-CE2 3.4Å; Y1301-E1349 WeakPolarHBondContact O-CA 3.36Å; Y1301-V1350 PolarHBondContact N-O 3.21Å; Y1301-V1350 PolarHBondContact O-N 2.9Å; Y1301-D1352 HydrophobicContact CD2-CB 4.36Å; Y1301-D1352 HydrophobicContact CE2-CB 3.8Å; Y1301-D1352 VanDerWaalsContact CE2-CG 3.5Å; Y1301-D1352 WeakPolarHBondContact CE2-OD2 3.21Å; Y1301-D1352 PolarHBondContact OH-OD2 3.28Å; Y1301-D1352 VanDerWaalsContact OH-OD2 3.13Å; Y1301-A1380 HydrophobicContact CD1-CB 4.06Å; Y1301-A1380 HydrophobicContact CD2-CB 3.89Å; Y1301-A1380 HydrophobicContact CE1-CB 3.72Å; Y1301-A1380 HydrophobicContact CE2-CB 3.53Å; Y1301-A1380 HydrophobicContact CG-CB 4.12Å; Y1301-A1380 VanDerWaalsContact CZ-CB 3.4Å; Y1301-F1381 HydrophobicContact CD1-CZ 4.19Å; Y1301-F1381 AromaticContact CE1-CE2 3.76Å; Y1301-F1381 HydrophobicContact CE1-CE2 3.76Å; Y1301-F1381 AromaticContact CE1-CZ 3.7Å; Y1301-F1381 HydrophobicContact CE1-CZ 3.7Å
1302I87.9Confident87.4Confident37 Ų3722.3 Ų22.319%0.1911%0.109CC..EExtended strand (participates in β ladder)trans-84.2109.7168.2-55.2172.3000106.9Y1053 F1055 S1107 C1347Y1053-I1302 PolarHBondContact O-N 3.46Å; F1055-I1302 HydrophobicContact CB-CG1 4.43Å; F1055-I1302 HydrophobicContact CD2-CG1 4.23Å; S1107-I1302 VanDerWaalsContact OG-CD1 3.29Å; S1107-I1302 WeakPolarHBondContact OG-CD1 3.46Å; I1302-C1347 HydrophobicContact CG2-CB 3.82Å
1303G86.6Confident87Confident0 Ų026.6 Ų26.60%013%0.128CC..EExtended strand (participates in β ladder)trans-119.8138.1177.900000112L1324 I1348G1303-L1324 WeakPolarHBondContact CA-O 3.45Å; G1303-I1348 PolarHBondContact N-O 3.05Å; G1303-I1348 PolarHBondContact O-N 3.3Å
1304Q88.4Confident86.4Confident46 Ų4629.1 Ų29.122%0.21515%0.145CC..EExtended strand (participates in β ladder)trans-113.1117.2175-169.8170.732.700109.7V1306 C1323 L1324 N1344 G1345Q1304-V1306 HydrophobicContact CG-CG2 4.14Å; Q1304-C1323 CarbonylContact O-C 3.57Å; Q1304-C1323 WeakPolarHBondContact O-CA 3.18Å; Q1304-L1324 PolarHBondContact N-O 3.19Å; Q1304-L1324 PolarHBondContact O-N 3.09Å; Q1304-N1344 VanDerWaalsContact CD-OD1 3.22Å; Q1304-N1344 WeakPolarHBondContact CG-OD1 3.33Å; Q1304-N1344 PolarHBondContact NE2-OD1 3.44Å; Q1304-G1345 WeakPolarHBondContact CG-O 3.41Å; Q1304-G1345 PolarHBondContact NE2-O 3.44Å
1305F91Very high86.2Confident0 Ų028.2 Ų28.20%014%0.141CC..EExtended strand (participates in β ladder)trans-79.7125.7175.3-69.8-92.3000109.9L1322 C1323 G1345 I1348 V1350 H1356 L1376 F1405 T1424 L1426F1305-L1322 CarbonylContact C-O 3.53Å; F1305-L1322 WeakPolarHBondContact CA-O 3.28Å; F1305-C1323 HydrophobicContact CD1-CB 3.89Å; F1305-C1323 HydrophobicContact CE1-CB 3.75Å; F1305-C1323 HydrophobicContact CG-CB 4.42Å; F1305-C1323 HydrophobicContact CZ-CB 4.15Å; F1305-G1345 WeakPolarHBondContact O-CA 3.12Å; F1305-G1345 PolarHBondContact O-N 3.17Å; F1305-I1348 HydrophobicContact CD2-CD1 3.84Å; F1305-I1348 HydrophobicContact CD2-CG1 4.12Å; F1305-I1348 HydrophobicContact CE2-CD1 3.69Å; F1305-I1348 HydrophobicContact CE2-CG1 4.06Å; F1305-V1350 HydrophobicContact CE2-CG2 3.65Å; F1305-V1350 HydrophobicContact CZ-CG2 4.1Å; F1305-H1356 HydrophobicContact CE1-CB 4.28Å; F1305-H1356 HydrophobicContact CZ-CB 4.3Å; F1305-H1356 AromaticContact CZ-CD2 3.66Å; F1305-H1356 AromaticContact CZ-CG 3.9Å; F1305-L1376 HydrophobicContact CD1-CD2 4.1Å; F1305-L1376 HydrophobicContact CE1-CD2 3.9Å; F1305-F1405 HydrophobicContact CB-CE2 4.43Å; F1305-F1405 HydrophobicContact CB-CZ 4.48Å; F1305-F1405 HydrophobicContact CD1-CB 4.49Å; F1305-F1405 AromaticContact CD1-CD1 3.34Å; F1305-F1405 HydrophobicContact CD1-CD1 3.34Å; F1305-F1405 HydrophobicContact CD1-CD2 4.46Å; F1305-F1405 AromaticContact CD1-CE1 3.54Å; F1305-F1405 HydrophobicContact CD1-CE1 3.54Å; F1305-F1405 AromaticContact CD1-CG 3.86Å; F1305-F1405 HydrophobicContact CD1-CG 3.86Å; F1305-F1405 HydrophobicContact CD1-CZ 4.19Å; F1305-F1405 HydrophobicContact CE1-CB 4.48Å; F1305-F1405 AromaticContact CE1-CD1 3.6Å; F1305-F1405 HydrophobicContact CE1-CD1 3.6Å; F1305-F1405 HydrophobicContact CE1-CE1 4.12Å; F1305-F1405 HydrophobicContact CE1-CG 4.21Å; F1305-F1405 HydrophobicContact CG-CD1 4.17Å; F1305-F1405 HydrophobicContact CG-CE1 4.4Å; F1305-F1405 HydrophobicContact CG-CG 4.24Å; F1305-T1424 HydrophobicContact CB-CG2 3.98Å; F1305-T1424 HydrophobicContact CD2-CG2 3.95Å; F1305-T1424 HydrophobicContact CG-CG2 4.11Å; F1305-L1426 HydrophobicContact CB-CD1 4.05Å; F1305-L1426 WeakPolarHBondContact O-CD1 3.14Å
1306V89.8Confident86.1Confident0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-131.2140.8-174.3-166.50000109Q1304 Y1308 C1321 L1322 L1324 A1329 L1341Q1304-V1306 HydrophobicContact CG-CG2 4.14Å; V1306-Y1308 HydrophobicContact CB-CE2 4Å; V1306-Y1308 HydrophobicContact CG1-CD2 4.22Å; V1306-Y1308 HydrophobicContact CG1-CE2 3.43Å; V1306-Y1308 VanDerWaalsContact CG1-CE2 3.43Å; V1306-C1321 WeakPolarHBondContact O-CA 3.47Å; V1306-L1322 PolarHBondContact N-O 2.97Å; V1306-L1322 PolarHBondContact O-N 3.38Å; V1306-L1324 HydrophobicContact CG2-CD1 3.74Å; V1306-L1324 HydrophobicContact CG2-CG 3.92Å; V1306-A1329 HydrophobicContact CG1-CB 4.14Å; V1306-A1329 HydrophobicContact CG2-CB 4.32Å; V1306-L1341 HydrophobicContact CG1-CD1 3.29Å
1307V90.7Very high86.1Confident0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-128.2116.7-177.8-1740000109.9L1319 R1320 I1342 A1343 L1403 F1405 L1426V1307-L1319 HydrophobicContact CG1-CB 4.28Å; V1307-L1319 HydrophobicContact CG1-CD1 4.36Å; V1307-L1319 HydrophobicContact CG1-CD2 4.38Å; V1307-R1320 WeakPolarHBondContact CA-O 3.24Å; V1307-I1342 HydrophobicContact CB-CG1 4.42Å; V1307-I1342 HydrophobicContact CG1-CD1 4.22Å; V1307-I1342 HydrophobicContact CG1-CG1 4.09Å; V1307-I1342 VanDerWaalsContact O-CG1 3.26Å; V1307-I1342 WeakPolarHBondContact O-CG1 3.42Å; V1307-I1342 PolarHBondContact O-N 3.47Å; V1307-A1343 HydrophobicContact CB-CB 4.26Å; V1307-A1343 PolarHBondContact N-O 3.45Å; V1307-A1343 PolarHBondContact O-N 2.68Å; V1307-A1343 VanDerWaalsContact O-N 3.15Å; V1307-L1403 HydrophobicContact CG1-CD1 3.95Å; V1307-L1403 HydrophobicContact CG2-CD1 3.97Å; V1307-F1405 HydrophobicContact CG2-CZ 4.25Å; V1307-L1426 HydrophobicContact CG2-CD1 3.84Å
1308Y89.7Confident86.2Confident0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-101.1151171.7-54.8-100.8000109.2V1306 L1319 R1320 L1322 A1329 T1332 E1334 L1335 Q1340 L1341V1306-Y1308 HydrophobicContact CB-CE2 4Å; V1306-Y1308 HydrophobicContact CG1-CD2 4.22Å; V1306-Y1308 HydrophobicContact CG1-CE2 3.43Å; V1306-Y1308 VanDerWaalsContact CG1-CE2 3.43Å; Y1308-L1319 CarbonylContact O-C 3.51Å; Y1308-L1319 VanDerWaalsContact O-CA 3.32Å; Y1308-L1319 WeakPolarHBondContact O-CA 3.32Å; Y1308-R1320 PolarHBondContact N-O 3.33Å; Y1308-R1320 PolarHBondContact O-N 3.29Å; Y1308-L1322 HydrophobicContact CD2-CD1 3.92Å; Y1308-L1322 HydrophobicContact CE2-CD1 4.18Å; Y1308-A1329 VanDerWaalsContact OH-CA 3.29Å; Y1308-A1329 WeakPolarHBondContact OH-CA 3.26Å; Y1308-A1329 PolarHBondContact OH-O 2.98Å; Y1308-T1332 HydrophobicContact CE2-CG2 4.34Å; Y1308-T1332 VanDerWaalsContact CZ-OG1 3.26Å; Y1308-T1332 WeakPolarHBondContact OH-CG2 3.36Å; Y1308-T1332 PolarHBondContact OH-OG1 2.88Å; Y1308-E1334 HydrophobicContact CD1-CB 3.74Å; Y1308-E1334 HydrophobicContact CD1-CG 4.43Å; Y1308-E1334 HydrophobicContact CD2-CB 3.91Å; Y1308-E1334 HydrophobicContact CD2-CG 3.72Å; Y1308-E1334 HydrophobicContact CE1-CB 4.09Å; Y1308-E1334 HydrophobicContact CE2-CB 4.26Å; Y1308-E1334 HydrophobicContact CE2-CG 4.24Å; Y1308-E1334 HydrophobicContact CG-CB 3.66Å; Y1308-E1334 HydrophobicContact CG-CG 3.85Å; Y1308-L1335 HydrophobicContact CD1-CD2 4.37Å; Y1308-L1335 HydrophobicContact CD1-CG 4.44Å; Y1308-L1335 HydrophobicContact CE1-CD1 4.43Å; Y1308-L1335 HydrophobicContact CE1-CD2 4.15Å; Y1308-L1335 HydrophobicContact CE1-CG 3.95Å; Y1308-Q1340 CarbonylContact C-O 3.54Å; Y1308-Q1340 WeakPolarHBondContact CA-O 3.32Å; Y1308-L1341 HydrophobicContact CD1-CB 3.94Å; Y1308-L1341 HydrophobicContact CD1-CD1 4.33Å; Y1308-L1341 HydrophobicContact CE1-CB 3.85Å; Y1308-L1341 HydrophobicContact CE1-CD1 4.04Å; Y1308-L1341 HydrophobicContact CE1-CG 4.41Å
1309A89.5Confident86.3Confident1 Ų127.4 Ų27.41%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-136.4145.718000000112.1Q1318 L1319 Q1340 I1342 L1430 P1431A1309-Q1318 WeakPolarHBondContact CA-O 3.19Å; A1309-L1319 HydrophobicContact CB-CD2 3.49Å; A1309-L1319 VanDerWaalsContact CB-CD2 3.49Å; A1309-Q1340 PolarHBondContact N-O 3.49Å; A1309-Q1340 PolarHBondContact O-N 3.19Å; A1309-I1342 HydrophobicContact CB-CB 4.4Å; A1309-I1342 HydrophobicContact CB-CD1 3.58Å; A1309-I1342 HydrophobicContact CB-CG1 3.79Å; A1309-I1342 HydrophobicContact CB-CG2 3.74Å; A1309-L1430 HydrophobicContact CB-CD2 4.03Å; A1309-P1431 HydrophobicContact CB-CG 4.35Å
1310R85.9Confident86.4Confident40 Ų4028 Ų2815%0.15113%0.133CC..EExtended strand (participates in β ladder)trans-137.7121170-172.5171.6172.9161.4-1.4108.3F1312 A1317 Q1318 E1337 F1339 T1435 D1436R1310-F1312 HydrophobicContact CB-CE1 4.14Å; R1310-F1312 HydrophobicContact CB-CZ 4.48Å; R1310-F1312 HydrophobicContact CG-CD1 4.17Å; R1310-F1312 HydrophobicContact CG-CE1 3.66Å; R1310-F1312 HydrophobicContact CG-CZ 4.45Å; R1310-A1317 WeakPolarHBondContact O-CA 3.4Å; R1310-Q1318 PolarHBondContact N-O 2.87Å; R1310-Q1318 PolarHBondContact O-N 3.38Å; R1310-E1337 PolarHBondContact NH1-O 3.23Å; R1310-F1339 HydrophobicContact CB-CB 4.45Å; R1310-F1339 HydrophobicContact CB-CD1 3.35Å; R1310-F1339 HydrophobicContact CB-CD2 4.38Å; R1310-F1339 HydrophobicContact CB-CE1 3.45Å; R1310-F1339 VanDerWaalsContact CB-CE1 3.45Å; R1310-F1339 HydrophobicContact CB-CE2 4.46Å; R1310-F1339 HydrophobicContact CB-CG 3.82Å; R1310-F1339 HydrophobicContact CB-CZ 4.01Å; R1310-T1435 HydrophobicContact CG-CG2 4.12Å; R1310-T1435 WeakPolarHBondContact CG-OG1 3.43Å; R1310-T1435 PolarHBondContact NE-OG1 3.35Å; R1310-D1436 PolarHBondContact NH2-O 3.35Å
1311R82.9Confident86.5Confident25 Ų2527.2 Ų27.29%0.09413%0.128CC..EExtended strand (participates in β ladder)trans-102.2131-175.2-171.8176.7-169.4180-1108.9H1313 P1314 A1317 P1431 E1433 L1434 T1435R1311-H1313 WeakPolarHBondContact CG-O 3.29Å; R1311-P1314 PolarHBondContact NH2-O 3.16Å; R1311-A1317 HydrophobicContact CB-CB 3.98Å; R1311-A1317 HydrophobicContact CG-CB 4.08Å; R1311-P1431 WeakPolarHBondContact CD-O 3.22Å; R1311-P1431 PolarHBondContact NH1-O 3.45Å; R1311-E1433 WeakPolarHBondContact CB-O 3.4Å; R1311-E1433 WeakPolarHBondContact CD-O 3.39Å; R1311-L1434 HydrophobicContact CG-CD2 4.19Å; R1311-L1434 CarbonylContact O-C 3.49Å; R1311-T1435 PolarHBondContact O-N 2.62Å; R1311-T1435 PolarHBondContact O-OG1 2.75Å
1312F78.6Confident86.4Confident54 Ų5427.5 Ų27.524%0.23713%0.13CC..  trans-117.7-18.9-178.2-27.3-79.2000112.2R1310 E1316 Q1318 Y1437R1310-F1312 HydrophobicContact CB-CE1 4.14Å; R1310-F1312 HydrophobicContact CB-CZ 4.48Å; R1310-F1312 HydrophobicContact CG-CD1 4.17Å; R1310-F1312 HydrophobicContact CG-CE1 3.66Å; R1310-F1312 HydrophobicContact CG-CZ 4.45Å; F1312-E1316 PolarHBondContact N-O 2.6Å; F1312-Q1318 HydrophobicContact CE2-CB 3.57Å; F1312-Q1318 HydrophobicContact CZ-CB 3.49Å; F1312-Q1318 VanDerWaalsContact CZ-CB 3.49Å; F1312-Y1437 HydrophobicContact CB-CE2 4.17Å; F1312-Y1437 HydrophobicContact CD1-CE2 4.09Å; F1312-Y1437 HydrophobicContact CG-CE2 4.18Å
1313H79.9Confident86.5Confident90 Ų9025.8 Ų25.842%0.41712%0.122SC..SBendtrans-140.2150.7179.9-167.3-115.1000109.2R1311 E1315 E1316 L1434R1311-H1313 WeakPolarHBondContact CG-O 3.29Å; H1313-E1315 IonicContact CE1-OE2 2.77Å; H1313-E1315 PolarHBondContact ND1-N 3.46Å; H1313-E1315 PolarHBondContact O-N 2.88Å; H1313-E1315 VanDerWaalsContact O-N 3.13Å; H1313-E1316 HydrophobicContact CB-CB 4.03Å; H1313-E1316 HydrophobicContact CB-CG 4.45Å; H1313-E1316 PolarHBondContact N-O 2.82Å; H1313-E1316 VanDerWaalsContact N-O 3.1Å; H1313-E1316 PolarHBondContact O-N 3.45Å; H1313-E1316 VanDerWaalsContact O-N 3.09Å; H1313-L1434 VanDerWaalsContact C-CD2 3.49Å
1314P76.3Confident86.4Confident59 Ų5926.7 Ų26.738%0.38313%0.126SC..SBendtrans-55.4-32.7176.1-28.837.5000113R1311R1311-P1314 PolarHBondContact NH2-O 3.16Å
1315E82.3Confident86.2Confident93 Ų9324.7 Ų24.744%0.43512%0.117SC..SBendtrans-92.4-16.3177.5-60.8176.2173.600114.6H1313 R1391 V1392 L1395H1313-E1315 IonicContact CE1-OE2 2.77Å; H1313-E1315 PolarHBondContact ND1-N 3.46Å; H1313-E1315 PolarHBondContact O-N 2.88Å; H1313-E1315 VanDerWaalsContact O-N 3.13Å; E1315-R1391 CarbonylContact O-C 3.59Å; E1315-R1391 VanDerWaalsContact O-CA 3.23Å; E1315-R1391 WeakPolarHBondContact O-CA 3.38Å; E1315-V1392 PolarHBondContact O-N 3.45Å; E1315-L1395 HydrophobicContact CG-CD1 3.89Å; E1315-L1395 HydrophobicContact CG-CD2 4.02Å; E1315-L1395 HydrophobicContact CG-CG 4.22Å
1316E84.3Confident85.6Confident55 Ų5525.3 Ų25.326%0.25712%0.12SC..EExtended strand (participates in β ladder)trans-135.3136.5-171.3-50.2-161.1140.600114.5F1312 H1313 V1390 R1391F1312-E1316 PolarHBondContact N-O 2.6Å; H1313-E1316 HydrophobicContact CB-CB 4.03Å; H1313-E1316 HydrophobicContact CB-CG 4.45Å; H1313-E1316 PolarHBondContact N-O 2.82Å; H1313-E1316 VanDerWaalsContact N-O 3.1Å; H1313-E1316 PolarHBondContact O-N 3.45Å; H1313-E1316 VanDerWaalsContact O-N 3.09Å; E1316-V1390 WeakPolarHBondContact CA-O 3.24Å; E1316-R1391 HydrophobicContact CG-CG 4.07Å; E1316-R1391 IonicContact OE1-CZ 3.14Å; E1316-R1391 IonicContact OE1-NE 3.19Å; E1316-R1391 PolarHBondContact OE1-NE 2.69Å; E1316-R1391 IonicContact OE1-NH2 2.7Å; E1316-R1391 PolarHBondContact OE1-NH2 3.46Å
1317A85.1Confident84.8Confident0 Ų028.1 Ų28.10%014%0.135CC..EExtended strand (participates in β ladder)trans-139.6156.5173.100000111.7R1310 R1311 I1389 V1390 L1430R1310-A1317 WeakPolarHBondContact O-CA 3.4Å; R1311-A1317 HydrophobicContact CB-CB 3.98Å; R1311-A1317 HydrophobicContact CG-CB 4.08Å; A1317-I1389 CarbonylContact O-C 3.51Å; A1317-I1389 WeakPolarHBondContact O-CA 3.28Å; A1317-V1390 HydrophobicContact CB-CG2 4.16Å; A1317-V1390 PolarHBondContact N-O 2.88Å; A1317-V1390 PolarHBondContact O-N 3.4Å; A1317-L1430 HydrophobicContact CB-CD1 3.63Å; A1317-L1430 HydrophobicContact CB-CD2 3.58Å; A1317-L1430 HydrophobicContact CB-CG 4.25Å
1318Q88.5Confident83.9Confident42 Ų4229.6 Ų29.620%0.19615%0.146CC..EExtended strand (participates in β ladder)trans-96.6129.1164.6-174.61743300109.5A1309 R1310 F1312 F1339A1309-Q1318 WeakPolarHBondContact CA-O 3.19Å; R1310-Q1318 PolarHBondContact N-O 2.87Å; R1310-Q1318 PolarHBondContact O-N 3.38Å; F1312-Q1318 HydrophobicContact CE2-CB 3.57Å; F1312-Q1318 HydrophobicContact CZ-CB 3.49Å; F1312-Q1318 VanDerWaalsContact CZ-CB 3.49Å; Q1318-F1339 HydrophobicContact CB-CE1 4.2Å; Q1318-F1339 HydrophobicContact CG-CE1 4.06Å
1319L89.9Confident83.1Confident0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-98.2144.5162.9-54.2-177.2000109.4V1307 Y1308 A1309 I1342 M1388 V1390 L1403 L1430V1307-L1319 HydrophobicContact CG1-CB 4.28Å; V1307-L1319 HydrophobicContact CG1-CD1 4.36Å; V1307-L1319 HydrophobicContact CG1-CD2 4.38Å; Y1308-L1319 CarbonylContact O-C 3.51Å; Y1308-L1319 VanDerWaalsContact O-CA 3.32Å; Y1308-L1319 WeakPolarHBondContact O-CA 3.32Å; A1309-L1319 HydrophobicContact CB-CD2 3.49Å; A1309-L1319 VanDerWaalsContact CB-CD2 3.49Å; L1319-I1342 HydrophobicContact CD2-CD1 3.84Å; L1319-M1388 HydrophobicContact CB-CG 3.8Å; L1319-M1388 HydrophobicContact CD1-CE 4.41Å; L1319-M1388 PolarHBondContact N-O 3.39Å; L1319-M1388 PolarHBondContact O-N 2.98Å; L1319-V1390 HydrophobicContact CD1-CG1 3.7Å; L1319-V1390 HydrophobicContact CD1-CG2 4.15Å; L1319-V1390 HydrophobicContact CD2-CG2 4.36Å; L1319-V1390 HydrophobicContact CG-CG1 4.02Å; L1319-V1390 HydrophobicContact CG-CG2 3.89Å; L1319-L1403 HydrophobicContact CD1-CD1 3.96Å; L1319-L1430 HydrophobicContact CD2-CD2 3.65Å
1320R89.2Confident82.1Confident24 Ų2437.6 Ų37.69%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-115.4111162.1-61.2-164.4178.11806.6107.9V1307 Y1308 L1322 E1334 E1337 F1339 N1387V1307-R1320 WeakPolarHBondContact CA-O 3.24Å; Y1308-R1320 PolarHBondContact N-O 3.33Å; Y1308-R1320 PolarHBondContact O-N 3.29Å; R1320-L1322 HydrophobicContact CB-CD1 3.9Å; R1320-E1334 HydrophobicContact CB-CG 4.23Å; R1320-E1334 WeakPolarHBondContact CD-OE1 3.22Å; R1320-E1334 IonicContact CZ-OE1 2.77Å; R1320-E1334 IonicContact NE-OE1 3.71Å; R1320-E1334 IonicContact NH1-OE1 2.65Å; R1320-E1334 PolarHBondContact NH1-OE1 2.84Å; R1320-E1337 IonicContact CZ-OE2 2.83Å; R1320-E1337 IonicContact NH1-OE1 3.45Å; R1320-E1337 IonicContact NH1-OE2 2.75Å; R1320-E1337 PolarHBondContact NH1-OE2 3.43Å; R1320-E1337 IonicContact NH2-OE2 3.23Å; R1320-E1337 PolarHBondContact NH2-OE2 3.47Å; R1320-F1339 HydrophobicContact CG-CD1 4.01Å; R1320-F1339 HydrophobicContact CG-CE1 3.81Å; R1320-F1339 HydrophobicContact CG-CZ 4.34Å; R1320-F1339 VanDerWaalsContact NE-CZ 3.34Å; R1320-N1387 WeakPolarHBondContact CD-OD1 3.18Å; R1320-N1387 WeakPolarHBondContact CG-OD1 3.41Å
1321C89.9Confident81Confident0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-92.2119.6172.7-61.30000107.9V1306 I1358 R1385 L1386 F1405V1306-C1321 WeakPolarHBondContact O-CA 3.47Å; C1321-I1358 HydrophobicContact CB-CD1 4.27Å; C1321-R1385 CarbonylContact O-C 3.51Å; C1321-R1385 WeakPolarHBondContact O-CA 3.47Å; C1321-L1386 PolarHBondContact N-O 2.87Å; C1321-L1386 PolarHBondContact O-N 3.37Å; C1321-F1405 HydrophobicContact CB-CE1 4.26Å; C1321-F1405 HydrophobicContact CB-CZ 4.19Å
1322L89.2Confident80.2Confident11 Ų1139.3 Ų39.36%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-112.1153.3174.5-75.283.2000110.3F1305 V1306 Y1308 R1320 L1324 T1332 E1334 N1384 R1385F1305-L1322 CarbonylContact C-O 3.53Å; F1305-L1322 WeakPolarHBondContact CA-O 3.28Å; V1306-L1322 PolarHBondContact N-O 2.97Å; V1306-L1322 PolarHBondContact O-N 3.38Å; Y1308-L1322 HydrophobicContact CD2-CD1 3.92Å; Y1308-L1322 HydrophobicContact CE2-CD1 4.18Å; R1320-L1322 HydrophobicContact CB-CD1 3.9Å; L1322-L1324 HydrophobicContact CB-CD2 4.11Å; L1322-L1324 HydrophobicContact CD2-CD2 3.97Å; L1322-T1332 HydrophobicContact CD2-CG2 4.49Å; L1322-E1334 HydrophobicContact CD1-CG 3.77Å; L1322-N1384 CarbonylContact C-O 3.54Å; L1322-N1384 WeakPolarHBondContact CA-O 3.24Å; L1322-R1385 HydrophobicContact CD1-CB 4.36Å; L1322-R1385 HydrophobicContact CD2-CB 4.49Å; L1322-R1385 HydrophobicContact CG-CB 3.94Å
1323C88.8Confident80Confident2 Ų240.4 Ų40.41%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-118.697.5161.6-1760000109.4Q1304 F1305 T1325 L1376 M1378 N1384Q1304-C1323 CarbonylContact O-C 3.57Å; Q1304-C1323 WeakPolarHBondContact O-CA 3.18Å; F1305-C1323 HydrophobicContact CD1-CB 3.89Å; F1305-C1323 HydrophobicContact CE1-CB 3.75Å; F1305-C1323 HydrophobicContact CG-CB 4.42Å; F1305-C1323 HydrophobicContact CZ-CB 4.15Å; C1323-T1325 PolarHBondContact O-N 2.9Å; C1323-L1376 HydrophobicContact CB-CD2 4.2Å; C1323-M1378 HydrophobicContact CB-CE 3.68Å; C1323-M1378 HydrophobicContact CB-SD 3.42Å; C1323-M1378 WeakPolarHBondContact CB-SD 3.12Å; C1323-M1378 VanDerWaalsContact SG-CE 3.57Å; C1323-N1384 HydrophobicContact CB-CB 4.27Å; C1323-N1384 PolarHBondContact N-O 2.91Å; C1323-N1384 WeakPolarHBondContact O-CB 3.28Å; C1323-N1384 PolarHBondContact O-ND2 2.94Å
1324L85.5Confident80Confident18 Ų1836.4 Ų36.49%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-72.5124-179.3-54.7-177.3000109.2G1303 Q1304 V1306 L1322 A1329 T1332G1303-L1324 WeakPolarHBondContact CA-O 3.45Å; Q1304-L1324 PolarHBondContact N-O 3.19Å; Q1304-L1324 PolarHBondContact O-N 3.09Å; V1306-L1324 HydrophobicContact CG2-CD1 3.74Å; V1306-L1324 HydrophobicContact CG2-CG 3.92Å; L1322-L1324 HydrophobicContact CB-CD2 4.11Å; L1322-L1324 HydrophobicContact CD2-CD2 3.97Å; L1324-A1329 HydrophobicContact CD1-CB 4.01Å; L1324-T1332 HydrophobicContact CD1-CG2 3.9Å; L1324-T1332 HydrophobicContact CD2-CG2 3.78Å; L1324-T1332 HydrophobicContact CG-CG2 4.5Å
1325T83Confident79.9Confident5 Ų537 Ų373%0.03118%0.184CC..SBendtrans-104.5-11.4177.349.40000113.2Y1053 C1323 M1378 F1381Y1053-T1325 WeakPolarHBondContact CB-O 3.04Å; Y1053-T1325 WeakPolarHBondContact CD1-O 3.39Å; C1323-T1325 PolarHBondContact O-N 2.9Å; T1325-M1378 HydrophobicContact CG2-CE 4.09Å; T1325-F1381 PolarHBondContact OG1-N 2.87Å; T1325-F1381 VanDerWaalsContact OG1-N 3.11Å
1326D79.3Confident79.4Confident12 Ų1239.9 Ų39.96%0.06420%0.198CC..SBendtrans-161.9-37.6-165.658.9-22.3000114.6Y988 R1031 Y1053 F1381Y988-D1326 WeakPolarHBondContact OH-CB 3.24Å; Y988-D1326 PolarHBondContact OH-O 3.08Å; R1031-D1326 IonicContact CZ-OD2 2.68Å; R1031-D1326 IonicContact NE-OD2 3.56Å; R1031-D1326 PolarHBondContact NE-OD2 3.36Å; R1031-D1326 VanDerWaalsContact NH2-CG 3.28Å; R1031-D1326 IonicContact NH2-OD1 2.7Å; R1031-D1326 PolarHBondContact NH2-OD1 3.24Å; R1031-D1326 IonicContact NH2-OD2 2.72Å; R1031-D1326 PolarHBondContact NH2-OD2 3.33Å; Y1053-D1326 HydrophobicContact CD2-CB 4.12Å; Y1053-D1326 HydrophobicContact CE2-CB 4.05Å; Y1053-D1326 HydrophobicContact CG-CB 4.42Å; Y1053-D1326 PolarHBondContact OH-O 3.21Å; D1326-F1381 HydrophobicContact CB-CD1 3.81Å; D1326-F1381 HydrophobicContact CB-CE1 4.22Å; D1326-F1381 WeakPolarHBondContact OD2-CA 3.13Å; D1326-F1381 WeakPolarHBondContact OD2-CD1 3.11Å
1327D73.2Confident79Confident59 Ų5941.5 Ų41.532%0.31621%0.205SC..SBendtrans-82.4157.1169.6-85.3-62.6000113R1031R1031-D1327 IonicContact CZ-OD2 2.77Å; R1031-D1327 IonicContact NH1-OD2 2.92Å; R1031-D1327 IonicContact NH2-OD2 2.97Å; R1031-D1327 PolarHBondContact NH2-OD2 3.32Å
1328S71Confident78.5Confident32 Ų3243.3 Ų43.322%0.22422%0.224CC..  trans-89.3152.6175.8760000112.6E1330 K1331S1328-E1330 PolarHBondContact O-N 2.93Å; S1328-K1331 PolarHBondContact O-N 2.91Å
1329A72.1Confident78.2Confident10 Ų1041.7 Ų41.78%0.08322%0.216CC..THydrogen-bonded Turntrans-61.5-12.1-179.700000114.9V1306 Y1308 L1324 T1332 L1335 L1341V1306-A1329 HydrophobicContact CG1-CB 4.14Å; V1306-A1329 HydrophobicContact CG2-CB 4.32Å; Y1308-A1329 VanDerWaalsContact OH-CA 3.29Å; Y1308-A1329 WeakPolarHBondContact OH-CA 3.26Å; Y1308-A1329 PolarHBondContact OH-O 2.98Å; L1324-A1329 HydrophobicContact CD1-CB 4.01Å; A1329-T1332 PolarHBondContact O-OG1 3.21Å; A1329-L1335 WeakPolarHBondContact O-CD1 3.18Å; A1329-L1341 HydrophobicContact CB-CD2 4.38Å
1330E68.6Low77.9Confident158 Ų15845.7 Ų45.774%0.73824%0.235SC*.THydrogen-bonded Turntrans-90.6-14.8177.1-62163.7168.500112.7S1328 L1335S1328-E1330 PolarHBondContact O-N 2.93Å; E1330-L1335 WeakPolarHBondContact O-CD1 3.21Å
1331K62.5Low77.8Confident91 Ų9148 Ų4840%0.39625%0.248SC..SBendtrans-112.73.8-171.8-70.7173.1177.5167.40113.7R986 R987 S1328R986-K1331 PolarHBondContact O-NZ 3.05Å; R987-K1331 PolarHBondContact O-NZ 3.03Å; S1328-K1331 PolarHBondContact O-N 2.91Å
1332T67.7Low77.8Confident10 Ų1049.5 Ų49.56%0.06126%0.256CS..  trans-69.1141.8177.951.40000113.1Y1308 L1322 L1324 A1329 E1334 L1335Y1308-T1332 HydrophobicContact CE2-CG2 4.34Å; Y1308-T1332 VanDerWaalsContact CZ-OG1 3.26Å; Y1308-T1332 WeakPolarHBondContact OH-CG2 3.36Å; Y1308-T1332 PolarHBondContact OH-OG1 2.88Å; L1322-T1332 HydrophobicContact CD2-CG2 4.49Å; L1324-T1332 HydrophobicContact CD1-CG2 3.9Å; L1324-T1332 HydrophobicContact CD2-CG2 3.78Å; L1324-T1332 HydrophobicContact CG-CG2 4.5Å; A1329-T1332 PolarHBondContact O-OG1 3.21Å; T1332-E1334 PolarHBondContact O-N 3.21Å; T1332-E1334 VanDerWaalsContact O-N 3.14Å; T1332-L1335 PolarHBondContact O-N 3.1Å
1333L72.6Confident77.6Confident77 Ų7749.6 Ų49.640%0.40326%0.258SS..Hα-helixtrans-55.5-29.9174.8-67.5171.3000113L1335 Q1336 E1337L1333-L1335 PolarHBondContact O-N 3.35Å; L1333-L1335 VanDerWaalsContact O-N 3.16Å; L1333-Q1336 CarbonylContact O-C 3.59Å; L1333-Q1336 WeakPolarHBondContact O-CA 3.37Å; L1333-Q1336 WeakPolarHBondContact O-CB 3.3Å; L1333-Q1336 PolarHBondContact O-N 3.17Å; L1333-E1337 PolarHBondContact O-N 3.15Å
1334E80.8Confident77.6Confident7 Ų753.3 Ų53.33%0.03328%0.278CS..Hα-helixtrans-46.9-41.1174.2-8248.1-129.200114Y1308 R1320 L1322 T1332 E1337 G1338 F1339Y1308-E1334 HydrophobicContact CD1-CB 3.74Å; Y1308-E1334 HydrophobicContact CD1-CG 4.43Å; Y1308-E1334 HydrophobicContact CD2-CB 3.91Å; Y1308-E1334 HydrophobicContact CD2-CG 3.72Å; Y1308-E1334 HydrophobicContact CE1-CB 4.09Å; Y1308-E1334 HydrophobicContact CE2-CB 4.26Å; Y1308-E1334 HydrophobicContact CE2-CG 4.24Å; Y1308-E1334 HydrophobicContact CG-CB 3.66Å; Y1308-E1334 HydrophobicContact CG-CG 3.85Å; R1320-E1334 HydrophobicContact CB-CG 4.23Å; R1320-E1334 WeakPolarHBondContact CD-OE1 3.22Å; R1320-E1334 IonicContact CZ-OE1 2.77Å; R1320-E1334 IonicContact NE-OE1 3.71Å; R1320-E1334 IonicContact NH1-OE1 2.65Å; R1320-E1334 PolarHBondContact NH1-OE1 2.84Å; L1322-E1334 HydrophobicContact CD1-CG 3.77Å; T1332-E1334 PolarHBondContact O-N 3.21Å; T1332-E1334 VanDerWaalsContact O-N 3.14Å; E1334-E1337 PolarHBondContact O-N 2.74Å; E1334-G1338 PolarHBondContact O-N 3.32Å; E1334-F1339 HydrophobicContact CB-CB 4.44Å; E1334-F1339 WeakPolarHBondContact O-CB 3.43Å; E1334-F1339 PolarHBondContact O-N 3.06Å
1335L74.4Confident77.5Confident72 Ų7252.8 Ų52.838%0.37728%0.277SS..Hα-helixtrans-71.3-37.1178.1-69.4166.8000111.3Y1308 A1329 E1330 T1332 L1333 E1337 G1338Y1308-L1335 HydrophobicContact CD1-CD2 4.37Å; Y1308-L1335 HydrophobicContact CD1-CG 4.44Å; Y1308-L1335 HydrophobicContact CE1-CD1 4.43Å; Y1308-L1335 HydrophobicContact CE1-CD2 4.15Å; Y1308-L1335 HydrophobicContact CE1-CG 3.95Å; A1329-L1335 WeakPolarHBondContact O-CD1 3.18Å; E1330-L1335 WeakPolarHBondContact O-CD1 3.21Å; T1332-L1335 PolarHBondContact O-N 3.1Å; L1333-L1335 PolarHBondContact O-N 3.35Å; L1333-L1335 VanDerWaalsContact O-N 3.16Å; L1335-E1337 VanDerWaalsContact C-N 3.34Å; L1335-G1338 PolarHBondContact O-N 2.94Å
1336Q71.5Confident77.7Confident153 Ų15356.1 Ų56.172%0.71530%0.299SS*.Hα-helixtrans-71.7-28176.4-59-178.7-6.300112.1L1333 G1338L1333-Q1336 CarbonylContact O-C 3.59Å; L1333-Q1336 WeakPolarHBondContact O-CA 3.37Å; L1333-Q1336 WeakPolarHBondContact O-CB 3.3Å; L1333-Q1336 PolarHBondContact O-N 3.17Å; Q1336-G1338 VanDerWaalsContact C-N 3.27Å; Q1336-G1338 PolarHBondContact O-N 2.61Å
1337E75.8Confident78Confident88 Ų8859.3 Ų59.341%0.41132%0.321SS..THydrogen-bonded Turntrans-83.33.9171.5-69.3-171.7-15000113.8R1310 R1320 L1333 E1334 L1335 F1339R1310-E1337 PolarHBondContact NH1-O 3.23Å; R1320-E1337 IonicContact CZ-OE2 2.83Å; R1320-E1337 IonicContact NH1-OE1 3.45Å; R1320-E1337 IonicContact NH1-OE2 2.75Å; R1320-E1337 PolarHBondContact NH1-OE2 3.43Å; R1320-E1337 IonicContact NH2-OE2 3.23Å; R1320-E1337 PolarHBondContact NH2-OE2 3.47Å; L1333-E1337 PolarHBondContact O-N 3.15Å; E1334-E1337 PolarHBondContact O-N 2.74Å; L1335-E1337 VanDerWaalsContact C-N 3.34Å; E1337-F1339 HydrophobicContact CB-CD2 4.01Å; E1337-F1339 HydrophobicContact CB-CE2 4.13Å
1338G74.8Confident78.6Confident38 Ų3858 Ų5839%0.39231%0.314SS..THydrogen-bonded Turntrans74.333.4176.100000114.6E1334 L1335 Q1336E1334-G1338 PolarHBondContact O-N 3.32Å; L1335-G1338 PolarHBondContact O-N 2.94Å; Q1336-G1338 VanDerWaalsContact C-N 3.27Å; Q1336-G1338 PolarHBondContact O-N 2.61Å
1339F83.1Confident79.4Confident9 Ų959.2 Ų59.24%0.03932%0.316CS..  trans-93.7134.8164.7-66.5-111.4000109.5R1310 Q1318 R1320 E1334 E1337R1310-F1339 HydrophobicContact CB-CB 4.45Å; R1310-F1339 HydrophobicContact CB-CD1 3.35Å; R1310-F1339 HydrophobicContact CB-CD2 4.38Å; R1310-F1339 HydrophobicContact CB-CE1 3.45Å; R1310-F1339 VanDerWaalsContact CB-CE1 3.45Å; R1310-F1339 HydrophobicContact CB-CE2 4.46Å; R1310-F1339 HydrophobicContact CB-CG 3.82Å; R1310-F1339 HydrophobicContact CB-CZ 4.01Å; Q1318-F1339 HydrophobicContact CB-CE1 4.2Å; Q1318-F1339 HydrophobicContact CG-CE1 4.06Å; R1320-F1339 HydrophobicContact CG-CD1 4.01Å; R1320-F1339 HydrophobicContact CG-CE1 3.81Å; R1320-F1339 HydrophobicContact CG-CZ 4.34Å; R1320-F1339 VanDerWaalsContact NE-CZ 3.34Å; E1334-F1339 HydrophobicContact CB-CB 4.44Å; E1334-F1339 WeakPolarHBondContact O-CB 3.43Å; E1334-F1339 PolarHBondContact O-N 3.06Å; E1337-F1339 HydrophobicContact CB-CD2 4.01Å; E1337-F1339 HydrophobicContact CB-CE2 4.13Å
1340Q83.3Confident80.2Confident84 Ų8458.9 Ų58.939%0.39331%0.313SS..EExtended strand (participates in β ladder)trans-84138.5176.1-66.5179.80.300110.3Y1308 A1309 I1342 P1431Y1308-Q1340 CarbonylContact C-O 3.54Å; Y1308-Q1340 WeakPolarHBondContact CA-O 3.32Å; A1309-Q1340 PolarHBondContact N-O 3.49Å; A1309-Q1340 PolarHBondContact O-N 3.19Å; Q1340-I1342 PolarHBondContact O-N 3.07Å; Q1340-P1431 HydrophobicContact CB-CG 4.25Å
1341L87.3Confident81Confident72 Ų7253.5 Ų53.538%0.37729%0.289SS..EExtended strand (participates in β ladder)trans-70.5114.5171.7172.956000109.8V1306 Y1308 A1329V1306-L1341 HydrophobicContact CG1-CD1 3.29Å; Y1308-L1341 HydrophobicContact CD1-CB 3.94Å; Y1308-L1341 HydrophobicContact CD1-CD1 4.33Å; Y1308-L1341 HydrophobicContact CE1-CB 3.85Å; Y1308-L1341 HydrophobicContact CE1-CD1 4.04Å; Y1308-L1341 HydrophobicContact CE1-CG 4.41Å; A1329-L1341 HydrophobicContact CB-CD2 4.38Å
1342I88.2Confident82.2Confident32 Ų3251 Ų5116%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-111.8-19.9-175.963.5154.2000115.2V1307 A1309 L1319 Q1340 A1428 K1429 P1431V1307-I1342 HydrophobicContact CB-CG1 4.42Å; V1307-I1342 HydrophobicContact CG1-CD1 4.22Å; V1307-I1342 HydrophobicContact CG1-CG1 4.09Å; V1307-I1342 VanDerWaalsContact O-CG1 3.26Å; V1307-I1342 WeakPolarHBondContact O-CG1 3.42Å; V1307-I1342 PolarHBondContact O-N 3.47Å; A1309-I1342 HydrophobicContact CB-CB 4.4Å; A1309-I1342 HydrophobicContact CB-CD1 3.58Å; A1309-I1342 HydrophobicContact CB-CG1 3.79Å; A1309-I1342 HydrophobicContact CB-CG2 3.74Å; L1319-I1342 HydrophobicContact CD2-CD1 3.84Å; Q1340-I1342 PolarHBondContact O-N 3.07Å; I1342-A1428 HydrophobicContact CD1-CB 3.62Å; I1342-K1429 VanDerWaalsContact CB-O 3.28Å; I1342-K1429 WeakPolarHBondContact CB-O 3.39Å; I1342-K1429 WeakPolarHBondContact CD1-O 3.45Å; I1342-K1429 VanDerWaalsContact CG2-O 3.29Å; I1342-K1429 WeakPolarHBondContact CG2-O 3.47Å; I1342-P1431 HydrophobicContact CG2-CG 4.29Å
1343A86.4Confident82.9Confident12 Ų1255.9 Ų55.910%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-151.9137.1170.500000111V1307 L1426V1307-A1343 HydrophobicContact CB-CB 4.26Å; V1307-A1343 PolarHBondContact N-O 3.45Å; V1307-A1343 PolarHBondContact O-N 2.68Å; V1307-A1343 VanDerWaalsContact O-N 3.15Å; A1343-L1426 HydrophobicContact CB-CB 3.98Å
1344N87.7Confident83.4Confident80 Ų8054.3 Ų54.343%0.42830%0.296SS..EExtended strand (participates in β ladder)trans-124.4133.1174.1-167.83.4000109.5Q1304Q1304-N1344 VanDerWaalsContact CD-OD1 3.22Å; Q1304-N1344 WeakPolarHBondContact CG-OD1 3.33Å; Q1304-N1344 PolarHBondContact NE2-OD1 3.44Å
1345G85Confident83.7Confident7 Ų755.8 Ų55.87%0.07231%0.306CS..EExtended strand (participates in β ladder)trans-90.1168.7-178.300000114.2Q1304 F1305 L1426Q1304-G1345 WeakPolarHBondContact CG-O 3.41Å; Q1304-G1345 PolarHBondContact NE2-O 3.44Å; F1305-G1345 WeakPolarHBondContact O-CA 3.12Å; F1305-G1345 PolarHBondContact O-N 3.17Å; G1345-L1426 VanDerWaalsContact CA-CD2 3.41Å
1346P86.8Confident84.2Confident76 Ų7652.7 Ų52.749%0.49429%0.29SS..EExtended strand (participates in β ladder)trans-68.1150.4161.631.5-33.7000110.2I1348P1346-I1348 HydrophobicContact CG-CG2 4.2Å; P1346-I1348 PolarHBondContact O-N 3.25Å
1347C84.5Confident85Confident78 Ų7847.7 Ų47.753%0.52726%0.264SS..EExtended strand (participates in β ladder)trans-64.4128.3166.6-55.10000109.6I1302I1302-C1347 HydrophobicContact CG2-CB 3.82Å
1348I86.9Confident85.6Confident32 Ų3243.8 Ų43.816%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-135.8164.7-178.355.9166.9000111.6G1303 F1305 P1346 V1350 A1423 T1424G1303-I1348 PolarHBondContact N-O 3.05Å; G1303-I1348 PolarHBondContact O-N 3.3Å; F1305-I1348 HydrophobicContact CD2-CD1 3.84Å; F1305-I1348 HydrophobicContact CD2-CG1 4.12Å; F1305-I1348 HydrophobicContact CE2-CD1 3.69Å; F1305-I1348 HydrophobicContact CE2-CG1 4.06Å; P1346-I1348 HydrophobicContact CG-CG2 4.2Å; P1346-I1348 PolarHBondContact O-N 3.25Å; I1348-V1350 HydrophobicContact CG1-CG2 4.22Å; I1348-V1350 PolarHBondContact O-N 2.78Å; I1348-A1423 HydrophobicContact CD1-CB 3.71Å; I1348-T1424 HydrophobicContact CD1-CG2 4.31Å
1349E87.9Confident86.1Confident58 Ų5844.5 Ų44.527%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-65.7124170.7173.2-165.5-118.900110.2F1055 P1300 Y1301 R1407F1055-E1349 HydrophobicContact CD1-CB 4.17Å; F1055-E1349 HydrophobicContact CD1-CG 3.98Å; F1055-E1349 HydrophobicContact CD2-CB 4.33Å; F1055-E1349 HydrophobicContact CE1-CB 3.84Å; F1055-E1349 HydrophobicContact CE1-CG 3.89Å; F1055-E1349 WeakPolarHBondContact CE1-OE1 3.34Å; F1055-E1349 HydrophobicContact CE2-CB 4.01Å; F1055-E1349 HydrophobicContact CG-CB 4.4Å; F1055-E1349 HydrophobicContact CG-CG 4.48Å; F1055-E1349 HydrophobicContact CZ-CB 3.75Å; F1055-E1349 HydrophobicContact CZ-CG 4.33Å; P1300-E1349 HydrophobicContact CB-CG 4.32Å; Y1301-E1349 WeakPolarHBondContact O-CA 3.36Å; E1349-R1407 PolarHBondContact O-NH2 3.21Å; E1349-R1407 IonicContact OE2-CZ 3.44Å; E1349-R1407 IonicContact OE2-NH1 2.59Å; E1349-R1407 PolarHBondContact OE2-NH1 2.85Å; E1349-R1407 IonicContact OE2-NH2 2.69Å; E1349-R1407 PolarHBondContact OE2-NH2 3.27Å
1350V87.4Confident86.1Confident3 Ų346.1 Ų46.12%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-129.4137.6174-172.70000108.2Y1301 F1305 I1348 M1378Y1301-V1350 PolarHBondContact N-O 3.21Å; Y1301-V1350 PolarHBondContact O-N 2.9Å; F1305-V1350 HydrophobicContact CE2-CG2 3.65Å; F1305-V1350 HydrophobicContact CZ-CG2 4.1Å; I1348-V1350 HydrophobicContact CG1-CG2 4.22Å; I1348-V1350 PolarHBondContact O-N 2.78Å; V1350-M1378 HydrophobicContact CG1-CB 4.26Å; V1350-M1378 HydrophobicContact CG1-CE 3.72Å; V1350-M1378 HydrophobicContact CG1-CG 3.65Å; V1350-M1378 HydrophobicContact CG1-SD 3.91Å
1351L87Confident86.1Confident44 Ų4444.9 Ų44.923%0.2325%0.254CS..EExtended strand (participates in β ladder)trans-97.6140.3-176.9-58.8178.3000110.6A1298 P1300 H1354A1298-L1351 HydrophobicContact CB-CB 4.12Å; A1298-L1351 HydrophobicContact CB-CD1 4.29Å; A1298-L1351 HydrophobicContact CB-CD2 4.49Å; P1300-L1351 HydrophobicContact CB-CD2 3.8Å; L1351-H1354 HydrophobicContact CB-CB 3.87Å; L1351-H1354 PolarHBondContact O-N 3.1Å
1352D86.2Confident86Confident38 Ų3844.3 Ų44.320%0.20327%0.266CS..THydrogen-bonded Turntrans-60.2146.5172.4-126.5-14.4000111.5V1299 Y1301 H1354 H1379 A1380V1299-D1352 HydrophobicContact CB-CB 4.43Å; V1299-D1352 PolarHBondContact O-N 3.17Å; Y1301-D1352 HydrophobicContact CD2-CB 4.36Å; Y1301-D1352 HydrophobicContact CE2-CB 3.8Å; Y1301-D1352 VanDerWaalsContact CE2-CG 3.5Å; Y1301-D1352 WeakPolarHBondContact CE2-OD2 3.21Å; Y1301-D1352 PolarHBondContact OH-OD2 3.28Å; Y1301-D1352 VanDerWaalsContact OH-OD2 3.13Å; D1352-H1354 PolarHBondContact O-N 3.23Å; D1352-H1354 PolarHBondContact O-ND1 3.21Å; D1352-H1379 WeakPolarHBondContact OD1-CA 3.33Å; D1352-A1380 PolarHBondContact OD1-N 2.73Å
1353D82.8Confident86Confident113 Ų11343.3 Ų43.360%0.60426%0.261SS*.THydrogen-bonded Turntrans56.26.5-176-65.9-26.8000116.1P1355 M1378 H1379D1353-P1355 VanDerWaalsContact O-CD 3.32Å; D1353-P1355 WeakPolarHBondContact O-CD 3.41Å; D1353-M1378 VanDerWaalsContact CA-O 3.23Å; D1353-M1378 WeakPolarHBondContact CA-O 3.31Å; D1353-M1378 PolarHBondContact N-O 3.16Å; D1353-H1379 IonicContact OD1-CE1 2.68Å; D1353-H1379 PolarHBondContact OD1-CE1 3.23Å; D1353-H1379 IonicContact OD1-ND1 3.32Å; D1353-H1379 PolarHBondContact OD1-ND1 3.03Å
1354H83.6Confident85.9Confident45 Ų4542.9 Ų42.921%0.20826%0.257CS..  trans-100.6104.3-176.9-75.658.6000112.6A1298 L1351 D1352 H1356 M1378A1298-H1354 WeakPolarHBondContact CB-CE1 3.3Å; L1351-H1354 HydrophobicContact CB-CB 3.87Å; L1351-H1354 PolarHBondContact O-N 3.1Å; D1352-H1354 PolarHBondContact O-N 3.23Å; D1352-H1354 PolarHBondContact O-ND1 3.21Å; H1354-H1356 PolarHBondContact O-ND1 3.48Å; H1354-M1378 WeakPolarHBondContact O-CB 3.42Å; H1354-M1378 WeakPolarHBondContact O-CG 3.46Å
1355P86.1Confident85.8Confident38 Ų3841.8 Ų41.825%0.24725%0.253CS..  trans-64.3145.3179.427.3-34.6000111.8D1353 W1357 Q1375 L1376D1353-P1355 VanDerWaalsContact O-CD 3.32Å; D1353-P1355 WeakPolarHBondContact O-CD 3.41Å; P1355-W1357 HydrophobicContact CG-CH2 3.84Å; P1355-W1357 HydrophobicContact CG-CZ2 3.96Å; P1355-W1357 HydrophobicContact CG-CZ3 4.44Å; P1355-W1357 WeakPolarHBondContact O-CZ3 3.37Å; P1355-Q1375 HydrophobicContact CB-CB 4.49Å; P1355-L1376 CarbonylContact C-O 3.59Å; P1355-L1376 VanDerWaalsContact CA-O 3.28Å; P1355-L1376 WeakPolarHBondContact CA-O 3.2Å
1356H86.9Confident85.7Confident6 Ų642.8 Ų42.83%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-108.4124.8175.9-78.156.6000110F1305 H1354 Q1375 L1376F1305-H1356 HydrophobicContact CE1-CB 4.28Å; F1305-H1356 HydrophobicContact CZ-CB 4.3Å; F1305-H1356 AromaticContact CZ-CD2 3.66Å; F1305-H1356 AromaticContact CZ-CG 3.9Å; H1354-H1356 PolarHBondContact O-ND1 3.48Å; H1356-Q1375 WeakPolarHBondContact O-CA 3.41Å; H1356-L1376 PolarHBondContact N-O 3.27Å; H1356-L1376 PolarHBondContact O-N 2.94Å
1357W87.7Confident85.4Confident48 Ų4842.7 Ų42.718%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-89.4135.3-176.9-67.9-87.8000111.2P1355 Q1373 L1374 Q1375 M1406 R1407 H1408 P1409P1355-W1357 HydrophobicContact CG-CH2 3.84Å; P1355-W1357 HydrophobicContact CG-CZ2 3.96Å; P1355-W1357 HydrophobicContact CG-CZ3 4.44Å; P1355-W1357 WeakPolarHBondContact O-CZ3 3.37Å; W1357-Q1373 HydrophobicContact CB-CG 4.32Å; W1357-L1374 CarbonylContact C-O 3.57Å; W1357-L1374 WeakPolarHBondContact CA-O 3.49Å; W1357-Q1375 HydrophobicContact CG-CB 4.49Å; W1357-M1406 HydrophobicContact CB-CB 4.49Å; W1357-M1406 PolarHBondContact N-O 3.37Å; W1357-M1406 WeakPolarHBondContact O-CB 3.45Å; W1357-M1406 PolarHBondContact O-N 3.3Å; W1357-R1407 WeakPolarHBondContact CZ3-O 3.47Å; W1357-H1408 VanDerWaalsContact CE3-CA 3.48Å; W1357-P1409 HydrophobicContact CD2-CB 3.92Å; W1357-P1409 HydrophobicContact CD2-CG 4.42Å; W1357-P1409 HydrophobicContact CG-CB 4.06Å; W1357-P1409 HydrophobicContact CH2-CG 4.47Å; W1357-P1409 HydrophobicContact CZ2-CB 4.3Å; W1357-P1409 HydrophobicContact CZ2-CG 4.15Å
1358I88.3Confident84.8Confident7 Ų740.9 Ų40.94%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-96.5135.1-178.3-54.9-173.3000110.3C1321 T1360 Q1373 L1374 L1386 M1388 L1403 A1404 F1405C1321-I1358 HydrophobicContact CB-CD1 4.27Å; I1358-T1360 HydrophobicContact CG2-CG2 4.18Å; I1358-Q1373 PolarHBondContact O-NE2 2.94Å; I1358-L1374 HydrophobicContact CB-CB 4.47Å; I1358-L1374 PolarHBondContact N-O 3.21Å; I1358-L1386 HydrophobicContact CD1-CD2 3.65Å; I1358-L1386 HydrophobicContact CG1-CD2 4.48Å; I1358-M1388 HydrophobicContact CD1-SD 4.36Å; I1358-L1403 HydrophobicContact CG2-CD2 4.49Å; I1358-A1404 WeakPolarHBondContact CA-O 3.35Å; I1358-F1405 HydrophobicContact CD1-CD1 4.12Å; I1358-F1405 HydrophobicContact CD1-CE1 3.54Å; I1358-F1405 HydrophobicContact CD1-CZ 4.1Å; I1358-F1405 HydrophobicContact CG1-CD1 3.95Å; I1358-F1405 HydrophobicContact CG1-CE1 3.9Å
1359E84.2Confident84Confident52 Ų5246.4 Ų46.424%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-115135.7163.2-60.7-155125.400110.7A1404 M1406 R1410E1359-A1404 HydrophobicContact CB-CB 4.36Å; E1359-A1404 PolarHBondContact N-O 3.08Å; E1359-A1404 PolarHBondContact O-N 3.31Å; E1359-M1406 HydrophobicContact CG-CG 3.97Å; E1359-R1410 IonicContact OE1-CZ 3.38Å; E1359-R1410 IonicContact OE1-NE 3.3Å; E1359-R1410 PolarHBondContact OE1-NE 2.99Å; E1359-R1410 IonicContact OE1-NH2 2.79Å; E1359-R1410 PolarHBondContact OE1-NH2 3.42Å
1360T84.9Confident82.5Confident43 Ų4350.2 Ų50.226%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-113.8131.1-177610000110.9I1358 P1366 M1388 K1402 L1403I1358-T1360 HydrophobicContact CG2-CG2 4.18Å; T1360-P1366 HydrophobicContact CG2-CG 3.92Å; T1360-P1366 WeakPolarHBondContact OG1-CD 3.26Å; T1360-M1388 HydrophobicContact CG2-CE 4.16Å; T1360-K1402 WeakPolarHBondContact CA-O 3.4Å; T1360-L1403 HydrophobicContact CG2-CD2 3.63Å
1361A83Confident81.4Confident58 Ų5859.9 Ų59.948%0.47934%0.342SS..EExtended strand (participates in β ladder)trans-132.5161176.100000111.4G1401 K1402A1361-G1401 CarbonylContact O-C 3.52Å; A1361-G1401 WeakPolarHBondContact O-CA 3.23Å; A1361-K1402 PolarHBondContact N-O 2.84Å; A1361-K1402 PolarHBondContact O-N 2.84Å
1362G84.5Confident80.7Confident61 Ų6162.9 Ų62.963%0.62936%0.355SS*.EExtended strand (participates in β ladder)trans90.7-145.8-175.800000112.8
1363N88Confident80.4Confident11 Ų1162.9 Ų62.96%0.05935%0.354CS..SBendtrans-89.4-16.8-170.7-159.512.3000113.8V1392 K1393 D1394 Q1397 P1398 V1400N1363-V1392 WeakPolarHBondContact ND2-CG1 3.27Å; N1363-K1393 WeakPolarHBondContact O-CB 3.33Å; N1363-K1393 PolarHBondContact O-N 2.83Å; N1363-K1393 PolarHBondContact OD1-N 3.48Å; N1363-K1393 VanDerWaalsContact OD1-N 3.15Å; N1363-D1394 PolarHBondContact ND2-O 2.74Å; N1363-D1394 PolarHBondContact OD1-N 2.89Å; N1363-D1394 PolarHBondContact OD1-O 3.31Å; N1363-Q1397 PolarHBondContact ND2-O 3Å; N1363-P1398 WeakPolarHBondContact CB-O 3.21Å; N1363-P1398 PolarHBondContact ND2-O 3.24Å; N1363-V1400 WeakPolarHBondContact CB-O 3.27Å; N1363-V1400 PolarHBondContact N-O 2.83Å
1364L84.8Confident80.5Confident2 Ų259.6 Ų59.61%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-91122.8176.8-55.3-179.3000110.9V1390 V1392 A1399 A1428 L1430L1364-V1390 HydrophobicContact CB-CB 4.48Å; L1364-V1392 HydrophobicContact CD2-CG2 4.12Å; L1364-A1399 HydrophobicContact CD2-CB 4.48Å; L1364-A1428 HydrophobicContact CD1-CB 4.25Å; L1364-A1428 WeakPolarHBondContact CD1-O 3.37Å; L1364-L1430 HydrophobicContact CD1-CD2 4.3Å; L1364-L1430 HydrophobicContact CD1-CG 3.93Å; L1364-L1430 HydrophobicContact CD2-CD1 3.57Å; L1364-L1430 HydrophobicContact CD2-CG 3.82Å
1365V84.8Confident80.7Confident57 Ų5762.6 Ų62.635%0.34535%0.35SS..EExtended strand (participates in β ladder)trans-123.1125.8-178.5179.80000110.1V1390 R1391 K1393V1365-V1390 CarbonylContact O-C 3.6Å; V1365-V1390 WeakPolarHBondContact O-CA 3.38Å; V1365-R1391 PolarHBondContact N-O 3.08Å; V1365-R1391 PolarHBondContact O-N 2.69Å; V1365-K1393 HydrophobicContact CG2-CB 4Å; V1365-K1393 HydrophobicContact CG2-CD 3.99Å; V1365-K1393 HydrophobicContact CG2-CG 4.27Å
1366P83.6Confident80.7Confident29 Ų2960.9 Ų60.919%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-69.4141.5-179.627.7-33.9000112.4T1360 A1368 L1374 M1388 I1389T1360-P1366 HydrophobicContact CG2-CG 3.92Å; T1360-P1366 WeakPolarHBondContact OG1-CD 3.26Å; P1366-A1368 PolarHBondContact O-N 3.47Å; P1366-L1374 HydrophobicContact CB-CD1 3.83Å; P1366-L1374 HydrophobicContact CG-CD1 4.41Å; P1366-M1388 HydrophobicContact CB-CE 3.93Å; P1366-I1389 CarbonylContact C-O 3.57Å; P1366-I1389 WeakPolarHBondContact CA-O 3.38Å
1367V80.9Confident80.5Confident74 Ų7462.3 Ų62.345%0.44836%0.355SS..  trans-82.866.7172.7-169.80000109.2I1389 R1391V1367-I1389 HydrophobicContact CB-CB 4.28Å; V1367-I1389 HydrophobicContact CB-CG2 4.36Å; V1367-I1389 HydrophobicContact CG2-CB 4.3Å; V1367-I1389 HydrophobicContact CG2-CG2 3.88Å; V1367-I1389 PolarHBondContact N-O 3.33Å; V1367-R1391 HydrophobicContact CG2-CB 4.5Å; V1367-R1391 HydrophobicContact CG2-CG 3.79Å
1368A71.7Confident80.3Confident40 Ų4060.2 Ų60.233%0.33135%0.348SS..PPolyproline II helixtrans-100.8167.4171.600000110.7P1366 L1374P1366-A1368 PolarHBondContact O-N 3.47Å; A1368-L1374 HydrophobicContact CB-CD2 4.33Å
1369K69.6Low80.2Confident148 Ų14863.5 Ų63.564%0.64336%0.363SS*.PPolyproline II helixtrans-65.9147.2168.7-58.9-178.7-156.9108.60109.3E1371 E1372K1369-E1371 PolarHBondContact O-N 3.09Å; K1369-E1372 HydrophobicContact CB-CB 4.14Å; K1369-E1372 WeakPolarHBondContact CB-OE2 3.43Å; K1369-E1372 WeakPolarHBondContact CD-OE2 3.46Å; K1369-E1372 WeakPolarHBondContact CG-OE2 3.15Å; K1369-E1372 IonicContact NZ-OE1 2.63Å; K1369-E1372 IonicContact NZ-OE2 3.16Å; K1369-E1372 PolarHBondContact NZ-OE2 3.11Å; K1369-E1372 WeakPolarHBondContact O-CB 3.48Å; K1369-E1372 PolarHBondContact O-N 3.05Å
1370T56.6Low80Confident137 Ų13761.6 Ų61.684%0.8436%0.356SS*.THydrogen-bonded Turntrans-55130.917546.20000110.6E1372T1370-E1372 VanDerWaalsContact C-N 3.31Å; T1370-E1372 PolarHBondContact O-N 2.92Å
1371E63.5Low79.7Confident207 Ų20760.2 Ų60.297%0.96735%0.346SS*.THydrogen-bonded Turntrans75.3-7-175.1-49.8-172.9165.100116.8K1369K1369-E1371 PolarHBondContact O-N 3.09Å
1372E73Confident79.5Confident106 Ų10663.1 Ų63.150%0.49535%0.345SS..PPolyproline II helixtrans-82121.2177.5-163.5160.9-142.700110.9K1369 T1370K1369-E1372 HydrophobicContact CB-CB 4.14Å; K1369-E1372 WeakPolarHBondContact CB-OE2 3.43Å; K1369-E1372 WeakPolarHBondContact CD-OE2 3.46Å; K1369-E1372 WeakPolarHBondContact CG-OE2 3.15Å; K1369-E1372 IonicContact NZ-OE1 2.63Å; K1369-E1372 IonicContact NZ-OE2 3.16Å; K1369-E1372 PolarHBondContact NZ-OE2 3.11Å; K1369-E1372 WeakPolarHBondContact O-CB 3.48Å; K1369-E1372 PolarHBondContact O-N 3.05Å; T1370-E1372 VanDerWaalsContact C-N 3.31Å; T1370-E1372 PolarHBondContact O-N 2.92Å
1373Q80.4Confident78.9Confident39 Ų3965.8 Ų65.818%0.18234%0.341CS..PPolyproline II helixtrans-94.7126.4175.8-174.4174.415.800110.4W1357 I1358W1357-Q1373 HydrophobicContact CB-CG 4.32Å; I1358-Q1373 PolarHBondContact O-NE2 2.94Å
1374L85.2Confident78.7Confident43 Ų4365.7 Ų65.723%0.22534%0.34CS..PPolyproline II helixtrans-65.7143.8178.3-64177000111.8W1357 I1358 P1366 A1368 L1386 M1388W1357-L1374 CarbonylContact C-O 3.57Å; W1357-L1374 WeakPolarHBondContact CA-O 3.49Å; I1358-L1374 HydrophobicContact CB-CB 4.47Å; I1358-L1374 PolarHBondContact N-O 3.21Å; P1366-L1374 HydrophobicContact CB-CD1 3.83Å; P1366-L1374 HydrophobicContact CG-CD1 4.41Å; A1368-L1374 HydrophobicContact CB-CD2 4.33Å; L1374-L1386 HydrophobicContact CB-CD2 4.18Å; L1374-M1388 HydrophobicContact CD1-CB 3.96Å; L1374-M1388 HydrophobicContact CD1-CE 3.74Å; L1374-M1388 HydrophobicContact CD1-SD 4Å
1375Q86.3Confident78.7Confident109 Ų10970.7 Ų70.751%0.50936%0.359SS..EExtended strand (participates in β ladder)trans-132.1139.8176.468.1-1761500110.7P1355 H1356 W1357P1355-Q1375 HydrophobicContact CB-CB 4.49Å; H1356-Q1375 WeakPolarHBondContact O-CA 3.41Å; W1357-Q1375 HydrophobicContact CG-CB 4.49Å
1376L86.9Confident78.9Confident1 Ų169.4 Ų69.41%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-104.7118.2171.2170.155.2000107.6F1305 C1323 P1355 H1356 M1378 L1386 F1405F1305-L1376 HydrophobicContact CD1-CD2 4.1Å; F1305-L1376 HydrophobicContact CE1-CD2 3.9Å; C1323-L1376 HydrophobicContact CB-CD2 4.2Å; P1355-L1376 CarbonylContact C-O 3.59Å; P1355-L1376 VanDerWaalsContact CA-O 3.28Å; P1355-L1376 WeakPolarHBondContact CA-O 3.2Å; H1356-L1376 PolarHBondContact N-O 3.27Å; H1356-L1376 PolarHBondContact O-N 2.94Å; L1376-M1378 HydrophobicContact CG-SD 4.49Å; L1376-L1386 HydrophobicContact CB-CB 4.22Å; L1376-L1386 HydrophobicContact CB-CD2 4.38Å; L1376-L1386 HydrophobicContact CD1-CB 3.86Å; L1376-F1405 HydrophobicContact CD2-CE1 4.26Å
1377G83Confident79.2Confident37 Ų3771.5 Ų71.538%0.38136%0.36SS..  trans-69.3147.9174.300000111.3N1384G1377-N1384 PolarHBondContact O-OD1 3.21Å
1378M83.7Confident79.5Confident4 Ų468.3 Ų68.32%0.0234%0.34CS..  trans-124.4118.3178.7-69.4-54.9-39.400110.7C1323 T1325 V1350 D1353 H1354 L1376 N1384C1323-M1378 HydrophobicContact CB-CE 3.68Å; C1323-M1378 HydrophobicContact CB-SD 3.42Å; C1323-M1378 WeakPolarHBondContact CB-SD 3.12Å; C1323-M1378 VanDerWaalsContact SG-CE 3.57Å; T1325-M1378 HydrophobicContact CG2-CE 4.09Å; V1350-M1378 HydrophobicContact CG1-CB 4.26Å; V1350-M1378 HydrophobicContact CG1-CE 3.72Å; V1350-M1378 HydrophobicContact CG1-CG 3.65Å; V1350-M1378 HydrophobicContact CG1-SD 3.91Å; D1353-M1378 VanDerWaalsContact CA-O 3.23Å; D1353-M1378 WeakPolarHBondContact CA-O 3.31Å; D1353-M1378 PolarHBondContact N-O 3.16Å; H1354-M1378 WeakPolarHBondContact O-CB 3.42Å; H1354-M1378 WeakPolarHBondContact O-CG 3.46Å; L1376-M1378 HydrophobicContact CG-SD 4.49Å; M1378-N1384 WeakPolarHBondContact CA-OD1 3.45Å; M1378-N1384 HydrophobicContact CE-CB 4.02Å; M1378-N1384 WeakPolarHBondContact CE-ND2 3.43Å; M1378-N1384 HydrophobicContact SD-CB 4.25Å
1379H84.7Confident80.3Confident75 Ų7570.4 Ų70.435%0.34735%0.345SS..  trans-137.7127.6167.3-51.9-72.7000108.2D1352 D1353 R1382 N1384D1352-H1379 WeakPolarHBondContact OD1-CA 3.33Å; D1353-H1379 IonicContact OD1-CE1 2.68Å; D1353-H1379 PolarHBondContact OD1-CE1 3.23Å; D1353-H1379 IonicContact OD1-ND1 3.32Å; D1353-H1379 PolarHBondContact OD1-ND1 3.03Å; H1379-R1382 HydrophobicContact CB-CB 4.3Å; H1379-N1384 PolarHBondContact N-OD1 3.24Å; H1379-N1384 PolarHBondContact O-ND2 2.96Å; H1379-N1384 PolarHBondContact O-OD1 2.86Å; H1379-N1384 VanDerWaalsContact O-OD1 3.06Å
1380A81.3Confident81.1Confident13 Ų1363.4 Ų63.411%0.10731%0.314CS..THydrogen-bonded Turntrans-62.2143.3-177.500000112.3Y1301 D1352 R1382Y1301-A1380 HydrophobicContact CD1-CB 4.06Å; Y1301-A1380 HydrophobicContact CD2-CB 3.89Å; Y1301-A1380 HydrophobicContact CE1-CB 3.72Å; Y1301-A1380 HydrophobicContact CE2-CB 3.53Å; Y1301-A1380 HydrophobicContact CG-CB 4.12Å; Y1301-A1380 VanDerWaalsContact CZ-CB 3.4Å; D1352-A1380 PolarHBondContact OD1-N 2.73Å; A1380-R1382 PolarHBondContact O-N 2.87Å
1381F78.3Confident82.5Confident14 Ų1463.1 Ų63.16%0.06130%0.298CS..THydrogen-bonded Turntrans61.818.7177.6-38.2-71.5000115.7L1028 C1030 R1031 Y1053 Y1301 T1325 D1326L1028-F1381 HydrophobicContact CB-CE2 4.04Å; L1028-F1381 WeakPolarHBondContact O-CE2 3.25Å; L1028-F1381 WeakPolarHBondContact O-CZ 3.37Å; C1030-F1381 VanDerWaalsContact CA-CE1 3.5Å; R1031-F1381 HydrophobicContact CG-CB 3.83Å; R1031-F1381 HydrophobicContact CG-CD1 4.13Å; R1031-F1381 HydrophobicContact CG-CG 4.16Å; Y1053-F1381 HydrophobicContact CD2-CE1 4.08Å; Y1053-F1381 HydrophobicContact CG-CE1 4.47Å; Y1301-F1381 HydrophobicContact CD1-CZ 4.19Å; Y1301-F1381 AromaticContact CE1-CE2 3.76Å; Y1301-F1381 HydrophobicContact CE1-CE2 3.76Å; Y1301-F1381 AromaticContact CE1-CZ 3.7Å; Y1301-F1381 HydrophobicContact CE1-CZ 3.7Å; T1325-F1381 PolarHBondContact OG1-N 2.87Å; T1325-F1381 VanDerWaalsContact OG1-N 3.11Å; D1326-F1381 HydrophobicContact CB-CD1 3.81Å; D1326-F1381 HydrophobicContact CB-CE1 4.22Å; D1326-F1381 WeakPolarHBondContact OD2-CA 3.13Å; D1326-F1381 WeakPolarHBondContact OD2-CD1 3.11Å
1382R78.4Confident83.5Confident118 Ų11853.9 Ų53.945%0.44526%0.256SS..SBendtrans-119.7165.1175.5-71.4-178.3165.6172.9-7.5111.2H1012 D1014 H1379 A1380 N1384H1012-R1382 PolarHBondContact NE2-NE 3.07Å; D1014-R1382 IonicContact OD1-NH2 3.01Å; D1014-R1382 IonicContact OD2-CZ 3.13Å; D1014-R1382 IonicContact OD2-NH2 2.66Å; D1014-R1382 PolarHBondContact OD2-NH2 3.41Å; H1379-R1382 HydrophobicContact CB-CB 4.3Å; A1380-R1382 PolarHBondContact O-N 2.87Å; R1382-N1384 VanDerWaalsContact C-N 3.27Å; R1382-N1384 PolarHBondContact O-N 3.48Å; R1382-N1384 PolarHBondContact O-ND2 2.72Å
1383E71.7Confident84Confident117 Ų11756.7 Ų56.755%0.54727%0.266SS..  trans-70.577.1179.3-65.2179.4171.200111.7R1385E1383-R1385 PolarHBondContact O-N 2.82Å; E1383-R1385 IonicContact OE2-CZ 2.72Å; E1383-R1385 IonicContact OE2-NH1 2.89Å; E1383-R1385 PolarHBondContact OE2-NH1 2.64Å; E1383-R1385 IonicContact OE2-NH2 2.97Å; E1383-R1385 PolarHBondContact OE2-NH2 2.88Å
1384N83.8Confident84Confident9 Ų957.5 Ų57.55%0.04827%0.272CS..  trans-69.975176.9-64.1-51.8000111L1322 C1323 G1377 M1378 H1379 R1382L1322-N1384 CarbonylContact C-O 3.54Å; L1322-N1384 WeakPolarHBondContact CA-O 3.24Å; C1323-N1384 HydrophobicContact CB-CB 4.27Å; C1323-N1384 PolarHBondContact N-O 2.91Å; C1323-N1384 WeakPolarHBondContact O-CB 3.28Å; C1323-N1384 PolarHBondContact O-ND2 2.94Å; G1377-N1384 PolarHBondContact O-OD1 3.21Å; M1378-N1384 WeakPolarHBondContact CA-OD1 3.45Å; M1378-N1384 HydrophobicContact CE-CB 4.02Å; M1378-N1384 WeakPolarHBondContact CE-ND2 3.43Å; M1378-N1384 HydrophobicContact SD-CB 4.25Å; H1379-N1384 PolarHBondContact N-OD1 3.24Å; H1379-N1384 PolarHBondContact O-ND2 2.96Å; H1379-N1384 PolarHBondContact O-OD1 2.86Å; H1379-N1384 VanDerWaalsContact O-OD1 3.06Å; R1382-N1384 VanDerWaalsContact C-N 3.27Å; R1382-N1384 PolarHBondContact O-N 3.48Å; R1382-N1384 PolarHBondContact O-ND2 2.72Å
1385R86Confident83.8Confident108 Ų10860.4 Ų60.441%0.40829%0.287SS..EExtended strand (participates in β ladder)trans-117.1143.4-178.166.9177.1169.2-125.3-22.8113.4C1321 L1322 E1383C1321-R1385 CarbonylContact O-C 3.51Å; C1321-R1385 WeakPolarHBondContact O-CA 3.47Å; L1322-R1385 HydrophobicContact CD1-CB 4.36Å; L1322-R1385 HydrophobicContact CD2-CB 4.49Å; L1322-R1385 HydrophobicContact CG-CB 3.94Å; E1383-R1385 PolarHBondContact O-N 2.82Å; E1383-R1385 IonicContact OE2-CZ 2.72Å; E1383-R1385 IonicContact OE2-NH1 2.89Å; E1383-R1385 PolarHBondContact OE2-NH1 2.64Å; E1383-R1385 IonicContact OE2-NH2 2.97Å; E1383-R1385 PolarHBondContact OE2-NH2 2.88Å
1386L88.6Confident83.4Confident29 Ų2960.2 Ų60.215%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-128.1117.5167.6173.667.5000109.4C1321 I1358 L1374 L1376C1321-L1386 PolarHBondContact N-O 2.87Å; C1321-L1386 PolarHBondContact O-N 3.37Å; I1358-L1386 HydrophobicContact CD1-CD2 3.65Å; I1358-L1386 HydrophobicContact CG1-CD2 4.48Å; L1374-L1386 HydrophobicContact CB-CD2 4.18Å; L1376-L1386 HydrophobicContact CB-CB 4.22Å; L1376-L1386 HydrophobicContact CB-CD2 4.38Å; L1376-L1386 HydrophobicContact CD1-CB 3.86Å
1387N89.3Confident83Confident73 Ų7365.7 Ų65.739%0.3932%0.323SS..EExtended strand (participates in β ladder)trans-91123.7174.5-64.7-7.7000109.1R1320R1320-N1387 WeakPolarHBondContact CD-OD1 3.18Å; R1320-N1387 WeakPolarHBondContact CG-OD1 3.41Å
1388M87.1Confident82.8Confident8 Ų868.7 Ų68.74%0.03934%0.336CS..EExtended strand (participates in β ladder)trans-137.5132.7-178.860.7-172.4-80.300111.3L1319 I1358 T1360 P1366 L1374 V1390 L1403L1319-M1388 HydrophobicContact CB-CG 3.8Å; L1319-M1388 HydrophobicContact CD1-CE 4.41Å; L1319-M1388 PolarHBondContact N-O 3.39Å; L1319-M1388 PolarHBondContact O-N 2.98Å; I1358-M1388 HydrophobicContact CD1-SD 4.36Å; T1360-M1388 HydrophobicContact CG2-CE 4.16Å; P1366-M1388 HydrophobicContact CB-CE 3.93Å; L1374-M1388 HydrophobicContact CD1-CB 3.96Å; L1374-M1388 HydrophobicContact CD1-CE 3.74Å; L1374-M1388 HydrophobicContact CD1-SD 4Å; M1388-V1390 HydrophobicContact CE-CG1 3.82Å; M1388-L1403 HydrophobicContact CE-CD2 4.45Å
1389I88Confident82.7Confident83 Ų8369 Ų6943%0.42634%0.339SS..EExtended strand (participates in β ladder)trans-85.6134.9172.3-58.5174.1000108A1317 P1366 V1367A1317-I1389 CarbonylContact O-C 3.51Å; A1317-I1389 WeakPolarHBondContact O-CA 3.28Å; P1366-I1389 CarbonylContact C-O 3.57Å; P1366-I1389 WeakPolarHBondContact CA-O 3.38Å; V1367-I1389 HydrophobicContact CB-CB 4.28Å; V1367-I1389 HydrophobicContact CB-CG2 4.36Å; V1367-I1389 HydrophobicContact CG2-CB 4.3Å; V1367-I1389 HydrophobicContact CG2-CG2 3.88Å; V1367-I1389 PolarHBondContact N-O 3.33Å
1390V87.5Confident82.7Confident1 Ų167.1 Ų67.11%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-120.4143.6175.4-63.30000111.2E1316 A1317 L1319 L1364 V1365 M1388 L1430E1316-V1390 WeakPolarHBondContact CA-O 3.24Å; A1317-V1390 HydrophobicContact CB-CG2 4.16Å; A1317-V1390 PolarHBondContact N-O 2.88Å; A1317-V1390 PolarHBondContact O-N 3.4Å; L1319-V1390 HydrophobicContact CD1-CG1 3.7Å; L1319-V1390 HydrophobicContact CD1-CG2 4.15Å; L1319-V1390 HydrophobicContact CD2-CG2 4.36Å; L1319-V1390 HydrophobicContact CG-CG1 4.02Å; L1319-V1390 HydrophobicContact CG-CG2 3.89Å; L1364-V1390 HydrophobicContact CB-CB 4.48Å; V1365-V1390 CarbonylContact O-C 3.6Å; V1365-V1390 WeakPolarHBondContact O-CA 3.38Å; M1388-V1390 HydrophobicContact CE-CG1 3.82Å; V1390-L1430 HydrophobicContact CG2-CD1 4.44Å; V1390-L1430 HydrophobicContact CG2-CD2 4.28Å
1391R86.1Confident82.9Confident131 Ų13166.6 Ų66.649%0.49433%0.329SS..EExtended strand (participates in β ladder)trans-104.2141.4170.5-82174.8178.6176.3-1.7111.1E1315 E1316 V1365 V1367E1315-R1391 CarbonylContact O-C 3.59Å; E1315-R1391 VanDerWaalsContact O-CA 3.23Å; E1315-R1391 WeakPolarHBondContact O-CA 3.38Å; E1316-R1391 HydrophobicContact CG-CG 4.07Å; E1316-R1391 IonicContact OE1-CZ 3.14Å; E1316-R1391 IonicContact OE1-NE 3.19Å; E1316-R1391 PolarHBondContact OE1-NE 2.69Å; E1316-R1391 IonicContact OE1-NH2 2.7Å; E1316-R1391 PolarHBondContact OE1-NH2 3.46Å; V1365-R1391 PolarHBondContact N-O 3.08Å; V1365-R1391 PolarHBondContact O-N 2.69Å; V1367-R1391 HydrophobicContact CG2-CB 4.5Å; V1367-R1391 HydrophobicContact CG2-CG 3.79Å
1392V85.1Confident83.4Confident14 Ų1470.4 Ų70.49%0.08535%0.345CS..EExtended strand (participates in β ladder)trans-76.9119.5165.5-174.20000107.7E1315 N1363 L1364 L1395 A1399 L1430E1315-V1392 PolarHBondContact O-N 3.45Å; N1363-V1392 WeakPolarHBondContact ND2-CG1 3.27Å; L1364-V1392 HydrophobicContact CD2-CG2 4.12Å; V1392-L1395 HydrophobicContact CG1-CD2 4.41Å; V1392-A1399 HydrophobicContact CG2-CB 4.09Å; V1392-L1430 HydrophobicContact CG2-CD1 4.11Å
1393K82.4Confident83.9Confident164 Ų16464.9 Ų64.971%0.71333%0.325SS*.SBendtrans-77.5-32.4-172-169.5-175.6-177.2179.50113.2N1363 V1365N1363-K1393 WeakPolarHBondContact O-CB 3.33Å; N1363-K1393 PolarHBondContact O-N 2.83Å; N1363-K1393 PolarHBondContact OD1-N 3.48Å; N1363-K1393 VanDerWaalsContact OD1-N 3.15Å; V1365-K1393 HydrophobicContact CG2-CB 4Å; V1365-K1393 HydrophobicContact CG2-CD 3.99Å; V1365-K1393 HydrophobicContact CG2-CG 4.27Å
1394D81.1Confident84.7Confident57 Ų5760 Ų6031%0.30531%0.305SS..  trans-140.8106.3-179.8179.8-2.6000108.8N1363 S1396 Q1397N1363-D1394 PolarHBondContact ND2-O 2.74Å; N1363-D1394 PolarHBondContact OD1-N 2.89Å; N1363-D1394 PolarHBondContact OD1-O 3.31Å; D1394-S1396 VanDerWaalsContact CG-OG 3.27Å; D1394-S1396 PolarHBondContact O-N 3.43Å; D1394-S1396 WeakPolarHBondContact OD1-CB 3.43Å; D1394-S1396 PolarHBondContact OD1-N 3.02Å; D1394-S1396 PolarHBondContact OD1-OG 2.96Å; D1394-S1396 PolarHBondContact OD2-OG 3.49Å; D1394-Q1397 PolarHBondContact O-N 3.12Å; D1394-Q1397 VanDerWaalsContact O-N 3.13Å; D1394-Q1397 PolarHBondContact OD2-NE2 3.45Å
1395L80.2Confident84.9Confident103 Ų10359.6 Ų59.654%0.53930%0.303SS..THydrogen-bonded Turntrans-63.9-13.4178.2-74.2170.7000113.8E1315 V1392 Q1397E1315-L1395 HydrophobicContact CG-CD1 3.89Å; E1315-L1395 HydrophobicContact CG-CD2 4.02Å; E1315-L1395 HydrophobicContact CG-CG 4.22Å; V1392-L1395 HydrophobicContact CG1-CD2 4.41Å; L1395-Q1397 VanDerWaalsContact C-N 3.35Å
1396S78.5Confident84.9Confident105 Ų10555 Ų5573%0.73429%0.286SS*.THydrogen-bonded Turntrans-84.4-10.1175.675.30000113.7D1394D1394-S1396 VanDerWaalsContact CG-OG 3.27Å; D1394-S1396 PolarHBondContact O-N 3.43Å; D1394-S1396 WeakPolarHBondContact OD1-CB 3.43Å; D1394-S1396 PolarHBondContact OD1-N 3.02Å; D1394-S1396 PolarHBondContact OD1-OG 2.96Å; D1394-S1396 PolarHBondContact OD2-OG 3.49Å
1397Q78.6Confident84.5Confident116 Ų11658.1 Ų58.154%0.54230%0.295SS..SBendtrans-107.6152.2174.7-72-178.966.800110.3N1363 D1394 L1395N1363-Q1397 PolarHBondContact ND2-O 3Å; D1394-Q1397 PolarHBondContact O-N 3.12Å; D1394-Q1397 VanDerWaalsContact O-N 3.13Å; D1394-Q1397 PolarHBondContact OD2-NE2 3.45Å; L1395-Q1397 VanDerWaalsContact C-N 3.35Å
1398P77.8Confident84Confident100 Ų10056.2 Ų56.265%0.64928%0.284SS*.  trans-58.6148.9178.925.3-35.1000111.4N1363 V1400N1363-P1398 WeakPolarHBondContact CB-O 3.21Å; N1363-P1398 PolarHBondContact ND2-O 3.24Å; P1398-V1400 HydrophobicContact CB-CG2 4.19Å; P1398-V1400 PolarHBondContact O-N 3.29Å
1399A82.4Confident83.7Confident10 Ų1057.5 Ų57.58%0.08329%0.293CS..SBendtrans-77.556.6-17600000112.4L1364 V1392 L1430L1364-A1399 HydrophobicContact CD2-CB 4.48Å; V1392-A1399 HydrophobicContact CG2-CB 4.09Å; A1399-L1430 HydrophobicContact CB-CB 4.07Å; A1399-L1430 HydrophobicContact CB-CD1 4.27Å; A1399-L1430 HydrophobicContact CB-CG 4.45Å; A1399-L1430 PolarHBondContact O-N 3.22Å
1400V85.4Confident83.2Confident36 Ų3658.5 Ų58.522%0.21829%0.292CS..EExtended strand (participates in β ladder)trans-117135.6-175.1-179.70000110.3N1363 P1398 E1427 A1428 K1429N1363-V1400 WeakPolarHBondContact CB-O 3.27Å; N1363-V1400 PolarHBondContact N-O 2.83Å; P1398-V1400 HydrophobicContact CB-CG2 4.19Å; P1398-V1400 PolarHBondContact O-N 3.29Å; V1400-E1427 HydrophobicContact CG1-CG 3.83Å; V1400-E1427 WeakPolarHBondContact CG1-OE1 3.39Å; V1400-A1428 WeakPolarHBondContact CA-O 3.43Å; V1400-K1429 HydrophobicContact CG2-CB 4.05Å; V1400-K1429 HydrophobicContact CG2-CG 3.86Å
1401G84.9Confident82.5Confident2 Ų262 Ų622%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-142.2149.8172.700000111.6A1361 A1428A1361-G1401 CarbonylContact O-C 3.52Å; A1361-G1401 WeakPolarHBondContact O-CA 3.23Å; G1401-A1428 PolarHBondContact N-O 3.38Å; G1401-A1428 PolarHBondContact O-N 3Å
1402K88Confident81.7Confident94 Ų9458.6 Ų58.641%0.40931%0.314SS..EExtended strand (participates in β ladder)trans-96128.2173.9-57.2-172.7-162.1-680109.2T1360 A1361 V1425 L1426 E1427T1360-K1402 WeakPolarHBondContact CA-O 3.4Å; A1361-K1402 PolarHBondContact N-O 2.84Å; A1361-K1402 PolarHBondContact O-N 2.84Å; K1402-V1425 HydrophobicContact CB-CG1 4.07Å; K1402-L1426 CarbonylContact C-O 3.27Å; K1402-L1426 WeakPolarHBondContact CA-O 3.38Å; K1402-E1427 IonicContact NZ-OE1 2.99Å; K1402-E1427 PolarHBondContact NZ-OE1 3.46Å; K1402-E1427 IonicContact NZ-OE2 3.41Å; K1402-E1427 PolarHBondContact NZ-OE2 3.02Å
1403L88.8Confident80.8Confident2 Ų259.3 Ų59.31%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-107.3106.3178.3-57.8175.5000108.2V1307 L1319 I1358 T1360 M1388 F1405 V1425 L1426 A1428V1307-L1403 HydrophobicContact CG1-CD1 3.95Å; V1307-L1403 HydrophobicContact CG2-CD1 3.97Å; L1319-L1403 HydrophobicContact CD1-CD1 3.96Å; I1358-L1403 HydrophobicContact CG2-CD2 4.49Å; T1360-L1403 HydrophobicContact CG2-CD2 3.63Å; M1388-L1403 HydrophobicContact CE-CD2 4.45Å; L1403-F1405 HydrophobicContact CB-CE2 4.07Å; L1403-V1425 WeakPolarHBondContact O-CA 3.29Å; L1403-L1426 PolarHBondContact N-O 3.31Å; L1403-L1426 PolarHBondContact O-N 3.31Å; L1403-A1428 HydrophobicContact CD1-CB 3.78Å; L1403-A1428 HydrophobicContact CG-CB 4.13Å
1404A88.4Confident80.3Confident16 Ų1658.7 Ų58.713%0.13232%0.317CS..EExtended strand (participates in β ladder)trans-95.6119.8177.600000109.9I1358 E1359 M1406 P1422 V1425I1358-A1404 WeakPolarHBondContact CA-O 3.35Å; E1359-A1404 HydrophobicContact CB-CB 4.36Å; E1359-A1404 PolarHBondContact N-O 3.08Å; E1359-A1404 PolarHBondContact O-N 3.31Å; A1404-M1406 HydrophobicContact CB-SD 4.19Å; A1404-P1422 HydrophobicContact CB-CB 4.25Å; A1404-V1425 HydrophobicContact CB-CG1 4.44Å; A1404-V1425 HydrophobicContact CB-CG2 4Å
1405F89.1Confident79.4Confident0 Ų060.6 Ų60.60%033%0.334CS..EExtended strand (participates in β ladder)trans-92.1115.3177.1-66.1-98.7000108.6F1305 V1307 C1321 I1358 L1376 L1403 A1423 T1424 L1426F1305-F1405 HydrophobicContact CB-CE2 4.43Å; F1305-F1405 HydrophobicContact CB-CZ 4.48Å; F1305-F1405 HydrophobicContact CD1-CB 4.49Å; F1305-F1405 AromaticContact CD1-CD1 3.34Å; F1305-F1405 HydrophobicContact CD1-CD1 3.34Å; F1305-F1405 HydrophobicContact CD1-CD2 4.46Å; F1305-F1405 AromaticContact CD1-CE1 3.54Å; F1305-F1405 HydrophobicContact CD1-CE1 3.54Å; F1305-F1405 AromaticContact CD1-CG 3.86Å; F1305-F1405 HydrophobicContact CD1-CG 3.86Å; F1305-F1405 HydrophobicContact CD1-CZ 4.19Å; F1305-F1405 HydrophobicContact CE1-CB 4.48Å; F1305-F1405 AromaticContact CE1-CD1 3.6Å; F1305-F1405 HydrophobicContact CE1-CD1 3.6Å; F1305-F1405 HydrophobicContact CE1-CE1 4.12Å; F1305-F1405 HydrophobicContact CE1-CG 4.21Å; F1305-F1405 HydrophobicContact CG-CD1 4.17Å; F1305-F1405 HydrophobicContact CG-CE1 4.4Å; F1305-F1405 HydrophobicContact CG-CG 4.24Å; V1307-F1405 HydrophobicContact CG2-CZ 4.25Å; C1321-F1405 HydrophobicContact CB-CE1 4.26Å; C1321-F1405 HydrophobicContact CB-CZ 4.19Å; I1358-F1405 HydrophobicContact CD1-CD1 4.12Å; I1358-F1405 HydrophobicContact CD1-CE1 3.54Å; I1358-F1405 HydrophobicContact CD1-CZ 4.1Å; I1358-F1405 HydrophobicContact CG1-CD1 3.95Å; I1358-F1405 HydrophobicContact CG1-CE1 3.9Å; L1376-F1405 HydrophobicContact CD2-CE1 4.26Å; L1403-F1405 HydrophobicContact CB-CE2 4.07Å; F1405-A1423 WeakPolarHBondContact O-CB 3.42Å; F1405-A1423 PolarHBondContact O-N 3.32Å; F1405-T1424 HydrophobicContact CB-CG2 4.19Å; F1405-T1424 HydrophobicContact CD2-CG2 3.88Å; F1405-T1424 HydrophobicContact CG-CG2 4.29Å; F1405-T1424 PolarHBondContact N-O 2.68Å; F1405-L1426 HydrophobicContact CD2-CD1 4.48Å; F1405-L1426 HydrophobicContact CD2-CG 4.4Å; F1405-L1426 HydrophobicContact CE2-CD1 3.76Å; F1405-L1426 HydrophobicContact CE2-CG 4Å; F1405-L1426 HydrophobicContact CZ-CD1 4.44Å
1406M85Confident78.3Confident11 Ų1158.3 Ų58.35%0.05433%0.331CS..EExtended strand (participates in β ladder)trans-106133.2-173.5-52.4-56.1-77.600110.5W1357 E1359 A1404 H1408 L1413 P1422W1357-M1406 HydrophobicContact CB-CB 4.49Å; W1357-M1406 PolarHBondContact N-O 3.37Å; W1357-M1406 WeakPolarHBondContact O-CB 3.45Å; W1357-M1406 PolarHBondContact O-N 3.3Å; E1359-M1406 HydrophobicContact CG-CG 3.97Å; A1404-M1406 HydrophobicContact CB-SD 4.19Å; M1406-H1408 WeakPolarHBondContact CB-O 3.36Å; M1406-H1408 PolarHBondContact O-N 3.02Å; M1406-L1413 HydrophobicContact CE-CD1 3.44Å; M1406-L1413 VanDerWaalsContact CE-CD1 3.44Å; M1406-L1413 HydrophobicContact CG-CD1 4.38Å; M1406-P1422 HydrophobicContact SD-CB 3.58Å; M1406-P1422 VanDerWaalsContact SD-CB 3.58Å
1407R81.7Confident77.3Confident94 Ų9456.7 Ų56.736%0.35533%0.33SS..SBendtrans-68.2-10.6173.3-70.9-175.5172.4-172.5-4113.9E1349 W1357 A1423E1349-R1407 PolarHBondContact O-NH2 3.21Å; E1349-R1407 IonicContact OE2-CZ 3.44Å; E1349-R1407 IonicContact OE2-NH1 2.59Å; E1349-R1407 PolarHBondContact OE2-NH1 2.85Å; E1349-R1407 IonicContact OE2-NH2 2.69Å; E1349-R1407 PolarHBondContact OE2-NH2 3.27Å; W1357-R1407 WeakPolarHBondContact CZ3-O 3.47Å; R1407-A1423 HydrophobicContact CG-CB 4.15Å
1408H78.7Confident76.3Confident34 Ų3454.5 Ų54.516%0.15733%0.328CS..SBendtrans-143.7151.8-176-57.6-44.1000111.3R1177 W1357 M1406 V1412 L1413R1177-H1408 VanDerWaalsContact CD-NE2 3.3Å; R1177-H1408 WeakPolarHBondContact CD-NE2 3.45Å; R1177-H1408 PolarHBondContact NE-NE2 2.92Å; W1357-H1408 VanDerWaalsContact CE3-CA 3.48Å; M1406-H1408 WeakPolarHBondContact CB-O 3.36Å; M1406-H1408 PolarHBondContact O-N 3.02Å; H1408-V1412 HydrophobicContact CB-CG1 4.43Å; H1408-L1413 HydrophobicContact CB-CD2 4.05Å
1409P80.8Confident75.3Confident34 Ų3456.1 Ų56.122%0.22134%0.338CS..  trans-73.9151.5-179.429.8-34.4000112.2W1357 A1411 V1412 L1413W1357-P1409 HydrophobicContact CD2-CB 3.92Å; W1357-P1409 HydrophobicContact CD2-CG 4.42Å; W1357-P1409 HydrophobicContact CG-CB 4.06Å; W1357-P1409 HydrophobicContact CH2-CG 4.47Å; W1357-P1409 HydrophobicContact CZ2-CB 4.3Å; W1357-P1409 HydrophobicContact CZ2-CG 4.15Å; P1409-A1411 PolarHBondContact O-N 3.18Å; P1409-V1412 HydrophobicContact CG-CB 4.26Å; P1409-V1412 HydrophobicContact CG-CG2 3.87Å; P1409-V1412 WeakPolarHBondContact O-CB 3.47Å; P1409-V1412 PolarHBondContact O-N 2.83Å; P1409-L1413 PolarHBondContact O-N 2.91Å; P1409-L1413 VanDerWaalsContact O-N 3.16Å
1410R76Confident74.5Confident105 Ų10558.3 Ų58.340%0.39635%0.351SS..Hα-helixtrans-48.5-37.4-178.8176.8179.3-68.7154.63113.9E1359 V1412 L1413 Q1414E1359-R1410 IonicContact OE1-CZ 3.38Å; E1359-R1410 IonicContact OE1-NE 3.3Å; E1359-R1410 PolarHBondContact OE1-NE 2.99Å; E1359-R1410 IonicContact OE1-NH2 2.79Å; E1359-R1410 PolarHBondContact OE1-NH2 3.42Å; R1410-V1412 VanDerWaalsContact C-N 3.34Å; R1410-V1412 PolarHBondContact O-N 3.26Å; R1410-L1413 PolarHBondContact O-N 3.02Å; R1410-Q1414 HydrophobicContact CG-CG 4.41Å; R1410-Q1414 WeakPolarHBondContact O-CB 3.34Å; R1410-Q1414 WeakPolarHBondContact O-CG 3.5Å; R1410-Q1414 PolarHBondContact O-N 3.27Å
1411A74.4Confident73.9Confident73 Ų7365.3 Ų65.360%0.60338%0.378SS*.Hα-helixtrans-63.4-36.5178.200000113.2P1409 S1415P1409-A1411 PolarHBondContact O-N 3.18Å; A1411-S1415 PolarHBondContact O-N 3.43Å; A1411-S1415 PolarHBondContact O-OG 3.07Å
1412V68.9Low73.7Confident61 Ų6167 Ų6737%0.3739%0.389SS..Hα-helixtrans-75.2-36.9175173.50000110.6H1408 P1409 R1410 Q1414 S1415 A1416H1408-V1412 HydrophobicContact CB-CG1 4.43Å; P1409-V1412 HydrophobicContact CG-CB 4.26Å; P1409-V1412 HydrophobicContact CG-CG2 3.87Å; P1409-V1412 WeakPolarHBondContact O-CB 3.47Å; P1409-V1412 PolarHBondContact O-N 2.83Å; R1410-V1412 VanDerWaalsContact C-N 3.34Å; R1410-V1412 PolarHBondContact O-N 3.26Å; V1412-Q1414 VanDerWaalsContact C-N 3.33Å; V1412-Q1414 PolarHBondContact O-N 2.83Å; V1412-S1415 PolarHBondContact O-N 2.82Å; V1412-S1415 PolarHBondContact O-OG 3.15Å; V1412-S1415 VanDerWaalsContact O-OG 3.09Å; V1412-A1416 WeakPolarHBondContact O-CB 3.3Å; V1412-A1416 PolarHBondContact O-N 3.17Å
1413L66.4Low73.2Confident29 Ų2963.8 Ų63.815%0.15238%0.38CS..Hα-helixtrans-62.9-39.5175.2-57.5-177.5000112.2M1406 H1408 P1409 R1410 V1420M1406-L1413 HydrophobicContact CE-CD1 3.44Å; M1406-L1413 VanDerWaalsContact CE-CD1 3.44Å; M1406-L1413 HydrophobicContact CG-CD1 4.38Å; H1408-L1413 HydrophobicContact CB-CD2 4.05Å; P1409-L1413 PolarHBondContact O-N 2.91Å; P1409-L1413 VanDerWaalsContact O-N 3.16Å; R1410-L1413 PolarHBondContact O-N 3.02Å; L1413-V1420 HydrophobicContact CD2-CB 3.64Å; L1413-V1420 HydrophobicContact CD2-CG1 4.21Å; L1413-V1420 HydrophobicContact CD2-CG2 3.58Å
1414Q70.3Confident73.1Confident151 Ų15164.3 Ų64.371%0.70638%0.383SS*.Hα-helixtrans-70.7-29.6176.8-72.9177.3300113.3R1410 V1412R1410-Q1414 HydrophobicContact CG-CG 4.41Å; R1410-Q1414 WeakPolarHBondContact O-CB 3.34Å; R1410-Q1414 WeakPolarHBondContact O-CG 3.5Å; R1410-Q1414 PolarHBondContact O-N 3.27Å; V1412-Q1414 VanDerWaalsContact C-N 3.33Å; V1412-Q1414 PolarHBondContact O-N 2.83Å
1415S62.8Low73.2Confident96 Ų9667 Ų6767%0.67140%0.397SS*.Hα-helixtrans-86.2-28.817865.40000113.7A1411 V1412 G1417A1411-S1415 PolarHBondContact O-N 3.43Å; A1411-S1415 PolarHBondContact O-OG 3.07Å; V1412-S1415 PolarHBondContact O-N 2.82Å; V1412-S1415 PolarHBondContact O-OG 3.15Å; V1412-S1415 VanDerWaalsContact O-OG 3.09Å; S1415-G1417 VanDerWaalsContact C-N 3.32Å; S1415-G1417 PolarHBondContact O-N 2.92Å
1416A57.6Low73.2Confident56 Ų5667.3 Ų67.346%0.46340%0.399SS..Hα-helixtrans-66.3-29.917800000113.5V1412 S1418V1412-A1416 WeakPolarHBondContact O-CB 3.3Å; V1412-A1416 PolarHBondContact O-N 3.17Å; A1416-S1418 PolarHBondContact O-N 2.92Å
1417G57.3Low73.4Confident70 Ų7070.9 Ų70.972%0.72242%0.416SS*.  trans72.2-10.7175.200000116S1415S1415-G1417 VanDerWaalsContact C-N 3.32Å; S1415-G1417 PolarHBondContact O-N 2.92Å
1418S57.7Low73.5Confident71 Ų7166.4 Ų66.450%0.49740%0.399SS..SBendtrans-95.2144.2167.9520000111A1416 V1420A1416-S1418 PolarHBondContact O-N 2.92Å; S1418-V1420 PolarHBondContact O-N 3.35Å
1419P57.7Low73.9Confident133 Ų13369.8 Ų69.886%0.86441%0.413SS*.  trans-73.695.2174.830-33.4000110.1K1421P1419-K1421 PolarHBondContact O-N 2.99Å
1420V64.2Low74.1Confident57 Ų5768.2 Ų68.235%0.34540%0.403SS..PPolyproline II helixtrans-66.5130.8173.1-174.60000109.2L1413 S1418L1413-V1420 HydrophobicContact CD2-CB 3.64Å; L1413-V1420 HydrophobicContact CD2-CG1 4.21Å; L1413-V1420 HydrophobicContact CD2-CG2 3.58Å; S1418-V1420 PolarHBondContact O-N 3.35Å
1421K73.2Confident74.1Confident183 Ų18363.8 Ų63.880%0.79639%0.388SS*.PPolyproline II helixtrans-70.9134.9178.4-165.9-173.5176.1-170.50110P1419P1419-K1421 PolarHBondContact O-N 2.99Å
1422P80.1Confident74Confident38 Ų3865.5 Ų65.525%0.24739%0.387CS..PPolyproline II helixtrans-55.8149166.521.2-31.7000111.3A1404 M1406 V1425A1404-P1422 HydrophobicContact CB-CB 4.25Å; M1406-P1422 HydrophobicContact SD-CB 3.58Å; M1406-P1422 VanDerWaalsContact SD-CB 3.58Å; P1422-V1425 HydrophobicContact CB-CG2 3.7Å; P1422-V1425 HydrophobicContact CG-CG2 3.31Å
1423A78.7Confident73.8Confident26 Ų2664 Ų6422%0.21538%0.376CS..SBendtrans-63.1-47173.300000110.1I1348 F1405 R1407I1348-A1423 HydrophobicContact CD1-CB 3.71Å; F1405-A1423 WeakPolarHBondContact O-CB 3.42Å; F1405-A1423 PolarHBondContact O-N 3.32Å; R1407-A1423 HydrophobicContact CG-CB 4.15Å
1424T86.9Confident73.8Confident13 Ų1365.4 Ų65.48%0.0838%0.383CS..EExtended strand (participates in β ladder)trans-149.8159.7165.4-172.50000110.7F1305 I1348 F1405 L1426F1305-T1424 HydrophobicContact CB-CG2 3.98Å; F1305-T1424 HydrophobicContact CD2-CG2 3.95Å; F1305-T1424 HydrophobicContact CG-CG2 4.11Å; I1348-T1424 HydrophobicContact CD1-CG2 4.31Å; F1405-T1424 HydrophobicContact CB-CG2 4.19Å; F1405-T1424 HydrophobicContact CD2-CG2 3.88Å; F1405-T1424 HydrophobicContact CG-CG2 4.29Å; F1405-T1424 PolarHBondContact N-O 2.68Å; T1424-L1426 HydrophobicContact CG2-CD2 4.17Å; T1424-L1426 HydrophobicContact CG2-CG 4.27Å
1425V89.4Confident73Confident71 Ų7159.6 Ų59.643%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-127.3118.7171.6-174.50000107.8K1402 L1403 A1404 P1422K1402-V1425 HydrophobicContact CB-CG1 4.07Å; L1403-V1425 WeakPolarHBondContact O-CA 3.29Å; A1404-V1425 HydrophobicContact CB-CG1 4.44Å; A1404-V1425 HydrophobicContact CB-CG2 4Å; P1422-V1425 HydrophobicContact CB-CG2 3.7Å; P1422-V1425 HydrophobicContact CG-CG2 3.31Å
1426L89Confident72.1Confident8 Ų856.6 Ų56.64%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-106.6140.1-178.6-53.9-173.4000110.1F1305 V1307 A1343 G1345 K1402 L1403 F1405 T1424F1305-L1426 HydrophobicContact CB-CD1 4.05Å; F1305-L1426 WeakPolarHBondContact O-CD1 3.14Å; V1307-L1426 HydrophobicContact CG2-CD1 3.84Å; A1343-L1426 HydrophobicContact CB-CB 3.98Å; G1345-L1426 VanDerWaalsContact CA-CD2 3.41Å; K1402-L1426 CarbonylContact C-O 3.27Å; K1402-L1426 WeakPolarHBondContact CA-O 3.38Å; L1403-L1426 PolarHBondContact N-O 3.31Å; L1403-L1426 PolarHBondContact O-N 3.31Å; F1405-L1426 HydrophobicContact CD2-CD1 4.48Å; F1405-L1426 HydrophobicContact CD2-CG 4.4Å; F1405-L1426 HydrophobicContact CE2-CD1 3.76Å; F1405-L1426 HydrophobicContact CE2-CG 4Å; F1405-L1426 HydrophobicContact CZ-CD1 4.44Å; T1424-L1426 HydrophobicContact CG2-CD2 4.17Å; T1424-L1426 HydrophobicContact CG2-CG 4.27Å
1427E88.9Confident71.2Confident86 Ų8662.8 Ų62.840%0.40235%0.347SS..EExtended strand (participates in β ladder)trans-97.5100.5176.8-172.1120.7-13600109.4V1400 K1402 K1429V1400-E1427 HydrophobicContact CG1-CG 3.83Å; V1400-E1427 WeakPolarHBondContact CG1-OE1 3.39Å; K1402-E1427 IonicContact NZ-OE1 2.99Å; K1402-E1427 PolarHBondContact NZ-OE1 3.46Å; K1402-E1427 IonicContact NZ-OE2 3.41Å; K1402-E1427 PolarHBondContact NZ-OE2 3.02Å; E1427-K1429 PolarHBondContact O-N 3.3Å
1428A85Confident70.1Confident0 Ų064.4 Ų64.40%033%0.331CS..EExtended strand (participates in β ladder)trans-87.5104.6-179.800000110.1I1342 L1364 V1400 G1401 L1403I1342-A1428 HydrophobicContact CD1-CB 3.62Å; L1364-A1428 HydrophobicContact CD1-CB 4.25Å; L1364-A1428 WeakPolarHBondContact CD1-O 3.37Å; V1400-A1428 WeakPolarHBondContact CA-O 3.43Å; G1401-A1428 PolarHBondContact N-O 3.38Å; G1401-A1428 PolarHBondContact O-N 3Å; L1403-A1428 HydrophobicContact CD1-CB 3.78Å; L1403-A1428 HydrophobicContact CG-CB 4.13Å
1429K86.4Confident68.7Low104 Ų10465 Ų6545%0.45233%0.332SS..EExtended strand (participates in β ladder)trans-89.3123.7162.5-174.1-161.7170.8-162.40108.4I1342 V1400 E1427 D1432I1342-K1429 VanDerWaalsContact CB-O 3.28Å; I1342-K1429 WeakPolarHBondContact CB-O 3.39Å; I1342-K1429 WeakPolarHBondContact CD1-O 3.45Å; I1342-K1429 VanDerWaalsContact CG2-O 3.29Å; I1342-K1429 WeakPolarHBondContact CG2-O 3.47Å; V1400-K1429 HydrophobicContact CG2-CB 4.05Å; V1400-K1429 HydrophobicContact CG2-CG 3.86Å; E1427-K1429 PolarHBondContact O-N 3.3Å; K1429-D1432 VanDerWaalsContact CE-OD2 3.3Å; K1429-D1432 WeakPolarHBondContact CE-OD2 3.31Å; K1429-D1432 IonicContact NZ-OD2 3.53Å; K1429-D1432 PolarHBondContact NZ-OD2 3.47Å
1430L84.8Confident67.3Low1 Ų162.6 Ų62.61%0.00533%0.331CS..PPolyproline II helixtrans-65.4152170.9-69.9-177.3000111.4A1309 A1317 L1319 L1364 V1390 V1392 A1399 D1432A1309-L1430 HydrophobicContact CB-CD2 4.03Å; A1317-L1430 HydrophobicContact CB-CD1 3.63Å; A1317-L1430 HydrophobicContact CB-CD2 3.58Å; A1317-L1430 HydrophobicContact CB-CG 4.25Å; L1319-L1430 HydrophobicContact CD2-CD2 3.65Å; L1364-L1430 HydrophobicContact CD1-CD2 4.3Å; L1364-L1430 HydrophobicContact CD1-CG 3.93Å; L1364-L1430 HydrophobicContact CD2-CD1 3.57Å; L1364-L1430 HydrophobicContact CD2-CG 3.82Å; V1390-L1430 HydrophobicContact CG2-CD1 4.44Å; V1390-L1430 HydrophobicContact CG2-CD2 4.28Å; V1392-L1430 HydrophobicContact CG2-CD1 4.11Å; A1399-L1430 HydrophobicContact CB-CB 4.07Å; A1399-L1430 HydrophobicContact CB-CD1 4.27Å; A1399-L1430 HydrophobicContact CB-CG 4.45Å; A1399-L1430 PolarHBondContact O-N 3.22Å; L1430-D1432 PolarHBondContact O-N 2.76Å
1431P76.3Confident65.5Low12 Ų1260.8 Ų60.88%0.07832%0.324CS..PPolyproline II helixtrans-53.3139.6165-24.836.4000110.1A1309 R1311 Q1340 I1342 E1433A1309-P1431 HydrophobicContact CB-CG 4.35Å; R1311-P1431 WeakPolarHBondContact CD-O 3.22Å; R1311-P1431 PolarHBondContact NH1-O 3.45Å; Q1340-P1431 HydrophobicContact CB-CG 4.25Å; I1342-P1431 HydrophobicContact CG2-CG 4.29Å; P1431-E1433 PolarHBondContact O-N 3.12Å
1432D71.8Confident63.3Low109 Ų10954.4 Ų54.458%0.58330%0.298SS*.SBendtrans-74.5-17.3172.9-68-52.9000111.5K1429 L1430K1429-D1432 VanDerWaalsContact CE-OD2 3.3Å; K1429-D1432 WeakPolarHBondContact CE-OD2 3.31Å; K1429-D1432 IonicContact NZ-OD2 3.53Å; K1429-D1432 PolarHBondContact NZ-OD2 3.47Å; L1430-D1432 PolarHBondContact O-N 2.76Å
1433E66.5Low60.7Low30 Ų3060.7 Ų60.714%0.1433%0.329CS..SBendtrans-80.4160.4175.1-52.6-158.395.500114.2R1311 P1431 H1500 Y1570R1311-E1433 WeakPolarHBondContact CB-O 3.4Å; R1311-E1433 WeakPolarHBondContact CD-O 3.39Å; P1431-E1433 PolarHBondContact O-N 3.12Å; E1433-H1500 IonicContact OE1-CE1 2.74Å; E1433-H1500 PolarHBondContact OE1-CE1 3.38Å; E1433-H1500 IonicContact OE1-ND1 2.61Å; E1433-H1500 PolarHBondContact OE1-ND1 3.4Å; E1433-Y1570 HydrophobicContact CG-CE1 3.97Å; E1433-Y1570 HydrophobicContact CG-CE2 4.29Å; E1433-Y1570 WeakPolarHBondContact CG-OH 3.48Å; E1433-Y1570 WeakPolarHBondContact OE1-CD1 3.49Å; E1433-Y1570 WeakPolarHBondContact OE1-CE1 3.34Å; E1433-Y1570 WeakPolarHBondContact OE2-CE1 3.32Å
1434L66.1Low58.3Low59 Ų5966.1 Ų66.131%0.30935%0.347SS..  trans-97.7164.8164.9-62.6168000109.4R1311 H1313 Y1499R1311-L1434 HydrophobicContact CG-CD2 4.19Å; R1311-L1434 CarbonylContact O-C 3.49Å; H1313-L1434 VanDerWaalsContact C-CD2 3.49Å; L1434-Y1499 WeakPolarHBondContact O-CE1 3.17Å; L1434-Y1499 PolarHBondContact O-OH 2.77Å; L1434-Y1499 VanDerWaalsContact O-OH 3.04Å
1435T53.8Low55.3Low29 Ų2969.1 Ų69.118%0.17837%0.366CS..  trans-138.1126.4173.157.50000109.9R1310 R1311 Y1499R1310-T1435 HydrophobicContact CG-CG2 4.12Å; R1310-T1435 WeakPolarHBondContact CG-OG1 3.43Å; R1310-T1435 PolarHBondContact NE-OG1 3.35Å; R1311-T1435 PolarHBondContact O-N 2.62Å; R1311-T1435 PolarHBondContact O-OG1 2.75Å; T1435-Y1499 VanDerWaalsContact CA-OH 3.25Å; T1435-Y1499 WeakPolarHBondContact CA-OH 3.42Å; T1435-Y1499 PolarHBondContact N-OH 3.06Å
1436D42.6Very low52.3Low33 Ų3370.5 Ų70.518%0.17637%0.374CS..  trans-92.4161.8-173.5-53-22.6000110.8R1310 R1438 Y1499 K1502 E1531R1310-D1436 PolarHBondContact NH2-O 3.35Å; D1436-R1438 VanDerWaalsContact C-N 3.26Å; D1436-R1438 HydrophobicContact CB-CG 4.36Å; D1436-R1438 PolarHBondContact O-N 2.91Å; D1436-R1438 VanDerWaalsContact O-N 3.09Å; D1436-Y1499 HydrophobicContact CB-CD2 4.38Å; D1436-Y1499 HydrophobicContact CB-CE2 3.52Å; D1436-Y1499 VanDerWaalsContact CG-CZ 3.5Å; D1436-Y1499 PolarHBondContact N-OH 2.92Å; D1436-Y1499 PolarHBondContact OD1-OH 2.78Å; D1436-Y1499 WeakPolarHBondContact OD2-CE2 3.39Å; D1436-Y1499 PolarHBondContact OD2-OH 3.33Å; D1436-K1502 IonicContact OD1-NZ 4Å; D1436-K1502 IonicContact OD2-NZ 2.87Å; D1436-K1502 PolarHBondContact OD2-NZ 3.33Å; D1436-E1531 WeakPolarHBondContact OD2-CG 3.42Å
1437Y38.6Very low49.3Very low185 Ų18577.2 Ų77.273%0.72541%0.41SS*.THydrogen-bonded Turntrans-81.313.7-159.3-102.5-96.3000116F1312F1312-Y1437 HydrophobicContact CB-CE2 4.17Å; F1312-Y1437 HydrophobicContact CD1-CE2 4.09Å; F1312-Y1437 HydrophobicContact CG-CE2 4.18Å
1438R33.7Very low46.5Very low105 Ų10580.1 Ų80.140%0.39643%0.427SS..THydrogen-bonded Turntrans-110.4-14.7-147.2-42.7-157.376-1631.1116.6D1436 P1529 E1531 E1532D1436-R1438 VanDerWaalsContact C-N 3.26Å; D1436-R1438 HydrophobicContact CB-CG 4.36Å; D1436-R1438 PolarHBondContact O-N 2.91Å; D1436-R1438 VanDerWaalsContact O-N 3.09Å; R1438-P1529 VanDerWaalsContact NH1-CD 3.31Å; R1438-E1531 WeakPolarHBondContact CD-OE2 3.36Å; R1438-E1532 VanDerWaalsContact CZ-CD 3.42Å; R1438-E1532 IonicContact CZ-OE1 3.86Å; R1438-E1532 IonicContact CZ-OE2 2.62Å; R1438-E1532 VanDerWaalsContact CZ-OE2 3.23Å; R1438-E1532 VanDerWaalsContact NH1-CB 3.33Å; R1438-E1532 VanDerWaalsContact NH1-CG 3.31Å; R1438-E1532 IonicContact NH1-OE1 2.72Å; R1438-E1532 IonicContact NH1-OE2 3.5Å; R1438-E1532 PolarHBondContact NH1-OE2 2.88Å; R1438-E1532 IonicContact NH2-OE1 3.09Å; R1438-E1532 PolarHBondContact NH2-OE1 3.12Å; R1438-E1532 IonicContact NH2-OE2 3.38Å; R1438-E1532 PolarHBondContact NH2-OE2 3.44Å
1439T30.1Very low43.8Very low84 Ų8487.7 Ų87.752%0.51547%0.468SS..  trans-88.9-5.1-17742.20000115.3G1441T1439-G1441 PolarHBondContact O-N 3.26Å
1440G27.3Very low40.9Very low81 Ų8190.1 Ų90.184%0.83549%0.486SS*.THydrogen-bonded Turntrans-75.142.6-174.900000116.3
1441G26.5Very low38.2Very low19 Ų1997.5 Ų97.520%0.19652%0.522CS..THydrogen-bonded Turntrans-144.1-10.1-171.500000118.1T1439 K1905 I1906T1439-G1441 PolarHBondContact O-N 3.26Å; G1441-K1905 CarbonylContact O-C 3.47Å; G1441-K1905 WeakPolarHBondContact O-CA 3.42Å; G1441-K1905 PolarHBondContact O-N 3.45Å; G1441-I1906 PolarHBondContact O-N 2.99Å
1442I26.4Very low35.8Very low49 Ų49100.5 Ų100.525%0.25154%0.542SS..  trans-143.787-168-35.883.5000112.5E1904I1442-E1904 HydrophobicContact CD1-CB 4.15Å; I1442-E1904 HydrophobicContact CD1-CG 4.04Å; I1442-E1904 WeakPolarHBondContact CD1-OE1 3.35Å; I1442-E1904 HydrophobicContact CG1-CB 3.49Å; I1442-E1904 VanDerWaalsContact CG1-CB 3.49Å; I1442-E1904 HydrophobicContact CG1-CG 3.61Å
1443L26.3Very low33.5Very low171 Ų171100.7 Ų100.790%0.89555%0.552SS**  trans-129.877.3148-73.1175.5000106.7
1444K27.7Very low31.5Very low139 Ų139107.5 Ų107.560%0.60458%0.577SS**  trans-75.8138.5167-81.1172.3175.3164.10106.9T1446 E1904K1444-T1446 PolarHBondContact O-N 3.34Å; K1444-E1904 PolarHBondContact NZ-O 3.07Å
1445T24.2Very low29.6Very low77 Ų77111.4 Ų111.447%0.47260%0.597SS.*SBendtrans-7785.9-166.6550000113.5
1446T26Very low28.3Very low99 Ų99113.9 Ų113.961%0.60761%0.614SS**  trans-139.3164.7156.551.30000108.3K1444K1444-T1446 PolarHBondContact O-N 3.34Å
1447D27.5Very low27.4Very low149 Ų149120.5 Ų120.580%0.79764%0.643SS**  trans66.390.7163.8-35.6-46.9000115.6
1448I29.8Very low26.8Very low148 Ų148121.3 Ų121.376%0.75965%0.647SS**  trans-127.2-7.6178.1-78.2179.5000113.3
1449D26.8Very low26.5Very low159 Ų159119.6 Ų119.685%0.8565%0.645SS**THydrogen-bonded Turntrans-83.5-13.8-169-64.1-62.9000115.4
1450D27.4Very low26.3Very low154 Ų154120.6 Ų120.682%0.82464%0.644SS**THydrogen-bonded Turntrans-108.629.1-176.8-76.1-57.9000115.5P1452D1450-P1452 WeakPolarHBondContact O-CD 3.08Å
1451M26Very low26.3Very low157 Ų157121.8 Ų121.877%0.77363%0.631SS**  trans-58.394.8155.9-39.2-116.2-50.800116
1452P26.2Very low26.2Very low75 Ų75123.6 Ų123.649%0.48765%0.649SS.*  trans-72.9143.9-170.331.3-32.3000113D1450 Y1454D1450-P1452 WeakPolarHBondContact O-CD 3.08Å; P1452-Y1454 PolarHBondContact O-N 2.89Å
1453S23.4Very low26.1Very low113 Ų113128.3 Ų128.379%0.7968%0.675SS**  trans-81.2102.4-174.757.30000112.8
1454Y25.8Very low26.1Very low172 Ų172128.7 Ų128.768%0.67567%0.672SS**  trans-106.492.4165.5-145.9-92.7000110.5P1452 P1456 I1575P1452-Y1454 PolarHBondContact O-N 2.89Å; Y1454-P1456 HydrophobicContact CD1-CG 4.43Å; Y1454-I1575 VanDerWaalsContact CE2-O 3.25Å; Y1454-I1575 WeakPolarHBondContact CE2-O 3.41Å
1455I25.7Very low25.9Very low141 Ų141131.9 Ų131.972%0.72368%0.682SS**  trans-106107.3172.5-59.2175.1000107.2
1456P26.6Very low25.9Very low82 Ų82133.6 Ų133.653%0.53269%0.693SS.*  trans-63.5135.4173.2-21.233.7000111Y1454 Y1458Y1454-P1456 HydrophobicContact CD1-CG 4.43Å; P1456-Y1458 HydrophobicContact CB-CD2 4.5Å; P1456-Y1458 PolarHBondContact O-N 2.78Å
1457E23.2Very low25.7Very low171 Ų171134.1 Ų134.180%0.79970%0.696SS**  trans-71.382.2-176-63.4-171.8134.900113.3N1459E1457-N1459 PolarHBondContact O-ND2 3.11Å
1458Y26.8Very low25.5Very low203 Ų203137.1 Ų137.180%0.79670%0.698SS**  trans-112.695.8160.2-75.3-83.3000109P1456P1456-Y1458 HydrophobicContact CB-CD2 4.5Å; P1456-Y1458 PolarHBondContact O-N 2.78Å
1459N27.4Very low25.2Very low68 Ų68135.3 Ų135.336%0.36469%0.69SS.*  41.976.656.8-54.7-52.3000106.8E1457 L1632E1457-N1459 PolarHBondContact O-ND2 3.11Å; N1459-L1632 HydrophobicContact CB-CB 3.99Å; N1459-L1632 HydrophobicContact CB-CD1 3.36Å; N1459-L1632 HydrophobicContact CB-CG 4.17Å; N1459-L1632 WeakPolarHBondContact O-CD1 3.25Å; N1459-L1632 WeakPolarHBondContact O-CD2 3.37Å
1460Q24.9Very low25Very low106 Ų106135.6 Ų135.650%0.49569%0.686SS.*  cis83.940.636.777.4156.8-144.700117.3I1633 P1634Q1460-I1633 PolarHBondContact O-N 2.68Å; Q1460-I1633 VanDerWaalsContact O-O 3.12Å; Q1460-I1633 PolarHBondContact OE1-O 3.19Å; Q1460-I1633 VanDerWaalsContact OE1-O 3.04Å; Q1460-P1634 VanDerWaalsContact OE1-CB 3.3Å
1461N27Very low24.9Very low106 Ų106133.6 Ų133.657%0.56768%0.684SS**  trans-164.1-179.8161.1-16911.5000108.1L1632 I1633N1461-L1632 HydrophobicContact CB-CB 3.62Å; N1461-L1632 HydrophobicContact CB-CD2 3.7Å; N1461-L1632 HydrophobicContact CB-CG 3.99Å; N1461-I1633 HydrophobicContact CB-CD1 4.41Å; N1461-I1633 HydrophobicContact CB-CG1 4.22Å; N1461-I1633 VanDerWaalsContact ND2-CD1 3.33Å; N1461-I1633 WeakPolarHBondContact ND2-CD1 3.46Å
1462G24.8Very low24.8Very low56 Ų56134 Ų13458%0.57769%0.688SS**  trans-124.5-176.3-159.600000120.5
1463D25.3Very low24.6Very low149 Ų149136 Ų13680%0.79770%0.701SS**  trans60.891.5162.8-61-9.5000120.9
1464Q26.4Very low24.6Very low178 Ų178138.2 Ų138.283%0.83270%0.699SS**  -174.6128.9105.1-99.4150.595.200116.3
1465Y23.5Very low24.7Very low206 Ų206136.3 Ų136.381%0.80871%0.705SS**  trans22136.2140-69.9-92.2000123.6
1466T23.8Very low24.5Very low114 Ų114140 Ų14070%0.69971%0.711SS**  trans70.2113.1138.852.40000122.2
1467T22.5Very low24.4Very low110 Ų110140.9 Ų140.968%0.67572%0.718SS**  57.7140.1113.2-32.60000120.8
1468Y23.3Very low24.4Very low211 Ų211142 Ų14283%0.82772%0.721SS**  trans9396.3169.1-64-76.8000117.5
1469N21.8Very low24.4Very low111 Ų111137.4 Ų137.459%0.59472%0.716SS**  26.7140.2112-85.638.3000120.2
1470E22.8Very low24.3Very low165 Ų165139.5 Ų139.577%0.77173%0.731SS**  trans61.389.4140.2-63170.2112.900117.5
1471S25.1Very low24.4Very low111 Ų111140.7 Ų140.778%0.77674%0.741SS**  179.9132.7100.538.90000113.4
1472L25.1Very low24.5Very low165 Ų165142.3 Ų142.386%0.86474%0.744SS**  trans-69.2145147.6-78.497.5000108
1473P22.6Very low24.5Very low118 Ų118149.1 Ų149.177%0.76675%0.754SS**  -135.8150.8119.835.7-26.3000114.5
1474Q22.9Very low24.7Very low160 Ų160147.9 Ų147.975%0.74875%0.747SS**  trans-69.4127.1175.7-58.2156.2-19.600111.8
1475T26.6Very low24.9Very low131 Ų131148 Ų14880%0.80475%0.748SS**  trans-142.592.814551.30000108.3
1476W22.6Very low25.3Very low219 Ų219143.7 Ų143.783%0.8375%0.745SS**  78.298.186.6-76.67.9000114.8
1477S24.2Very low25.8Very low100 Ų100139.9 Ų139.970%0.69972%0.721SS**  84.4125.4126.679.30000120.8
1478K23.5Very low26.5Very low194 Ų194137.1 Ų137.184%0.84371%0.709SS**  trans84.8147.1141.4-72.8-179.8177.5-176.70118.4
1479P27.2Very low27.5Very low107 Ų107131.8 Ų131.870%0.69569%0.69SS**  -142.1-162.5-72.926.6-0.8000112.6
1480V24.2Very low28.6Very low113 Ų113127.1 Ų127.169%0.68567%0.666SS**  trans93.8135.4153.4-173.10000116.6
1481D28.4Very low30.1Very low131 Ų131125.4 Ų125.470%0.70166%0.658SS**  trans61.1139.4171.6-56.9-18000119.4
1482H27.3Very low32Very low139 Ų139120.8 Ų120.864%0.64462%0.624SS**  cis-167128.9-30.2-118.5-46.2000109.5
1483Y25.8Very low34.1Very low200 Ų200116.3 Ų116.378%0.78460%0.601SS**  trans52.3103164.6-59.3-73.8000120.6
1484D29.3Very low36.7Very low122 Ų122111.3 Ų111.365%0.65257%0.568SS**  172.4109.4111.3-107.328.8000110.2R1584D1484-R1584 IonicContact OD2-CZ 2.73Å; D1484-R1584 IonicContact OD2-NH2 3.22Å; D1484-R1584 PolarHBondContact OD2-NH2 3.14Å
1485E30.1Very low39.3Very low182 Ų182107.6 Ų107.685%0.8555%0.547SS*.PPolyproline II helixtrans-88.7142.8174.5-73-177.6137.500111.3L1487E1485-L1487 PolarHBondContact O-N 2.85Å
1486P32.6Very low41.7Very low115 Ų115104.6 Ų104.675%0.74752%0.524SS*.PPolyproline II helixtrans-73.6119.6-179.629.6-33.6000111.1
1487L34.4Very low44.5Very low34 Ų3494.1 Ų94.118%0.17848%0.484CS..PPolyproline II helixtrans-68.8137.5172.2-86.6159.6000111.2E1485 V1578 R1584 A1587 L1588 L1591E1485-L1487 PolarHBondContact O-N 2.85Å; L1487-V1578 HydrophobicContact CB-CB 4.01Å; L1487-V1578 HydrophobicContact CB-CG2 3.9Å; L1487-V1578 WeakPolarHBondContact O-CB 3.31Å; L1487-V1578 WeakPolarHBondContact O-CG2 3.49Å; L1487-V1578 PolarHBondContact O-N 2.77Å; L1487-R1584 HydrophobicContact CD1-CG 4.11Å; L1487-A1587 HydrophobicContact CD1-CB 3.87Å; L1487-A1587 HydrophobicContact CD2-CB 3.65Å; L1487-A1587 HydrophobicContact CG-CB 4.29Å; L1487-L1588 HydrophobicContact CD1-CD2 4.2Å; L1487-L1588 HydrophobicContact CD1-CG 3.87Å; L1487-L1591 HydrophobicContact CD2-CD1 3.76Å
1488A37.5Very low47.3Very low52 Ų5289.4 Ų89.443%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-125.4136.7-175.800000111.1I1575A1488-I1575 HydrophobicContact CB-CG2 3.9Å
1489K43Very low50Low99 Ų9982 Ų8243%0.4342%0.418SS..EExtended strand (participates in β ladder)trans-85.9138.9158.2-85.3171.1170.7167.30108.1N1574 I1575 S1576 V1578 E1583K1489-N1574 VanDerWaalsContact O-O 3.11Å; K1489-I1575 WeakPolarHBondContact O-CA 3.46Å; K1489-S1576 VanDerWaalsContact CB-OG 3.28Å; K1489-S1576 WeakPolarHBondContact CB-OG 3.5Å; K1489-S1576 PolarHBondContact N-O 3.39Å; K1489-S1576 PolarHBondContact O-N 3.11Å; K1489-V1578 HydrophobicContact CG-CG2 4.47Å; K1489-E1583 WeakPolarHBondContact CE-OE1 3.2Å; K1489-E1583 WeakPolarHBondContact CE-OE2 3.49Å; K1489-E1583 IonicContact NZ-OE1 3.64Å; K1489-E1583 PolarHBondContact NZ-OE1 3.18Å; K1489-E1583 IonicContact NZ-OE2 3.07Å; K1489-E1583 PolarHBondContact NZ-OE2 3.41Å
1490S46.2Very low52.6Low12 Ų1278.2 Ų78.28%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-139.6128.6172.961.20000110M1572S1490-M1572 WeakPolarHBondContact OG-CE 3.37Å
1491E53.6Low55.4Low130 Ų13072.8 Ų72.861%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-86.6116.6173.2-64176.4129.700109.1N1574E1491-N1574 PolarHBondContact OE2-ND2 2.91Å
1492L64.7Low57.7Low14 Ų1469.2 Ų69.27%0.07334%0.337CS..EExtended strand (participates in β ladder)trans-90.1108.4177.3-70.3167.6000109.2L1494 V1497 L1555 L1568 C1571L1492-L1494 PolarHBondContact O-N 3.2Å; L1492-L1494 VanDerWaalsContact O-N 3.09Å; L1492-V1497 HydrophobicContact CB-CG2 4.29Å; L1492-L1555 HydrophobicContact CD1-CD2 4.31Å; L1492-L1568 HydrophobicContact CD1-CD2 4.15Å; L1492-L1568 HydrophobicContact CD2-CD2 4.29Å; L1492-C1571 HydrophobicContact CD2-CB 3.74Å
1493D68.7Low60.2Low71 Ų7165.5 Ų65.538%0.3833%0.326SS..  trans-63.4113.4171175.214.4000109.8R1495 Q1496 V1497D1493-R1495 PolarHBondContact O-N 2.8Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.3Å; D1493-R1495 PolarHBondContact OD1-N 2.83Å; D1493-Q1496 HydrophobicContact CB-CB 3.96Å; D1493-Q1496 CarbonylContact O-C 3.51Å; D1493-Q1496 WeakPolarHBondContact O-CA 3.34Å; D1493-Q1496 WeakPolarHBondContact O-CB 3.31Å; D1493-Q1496 PolarHBondContact O-N 3.1Å; D1493-V1497 PolarHBondContact O-N 2.76Å
1494L78.2Confident63Low13 Ų1358 Ų587%0.06830%0.3CS..Hα-helixtrans-60.7-25.8177.6-71.1-174.8000113.5L1492 Q1496 A1498 Y1535 L1538 Q1542 T1550 L1555L1492-L1494 PolarHBondContact O-N 3.2Å; L1492-L1494 VanDerWaalsContact O-N 3.09Å; L1494-Q1496 VanDerWaalsContact C-N 3.34Å; L1494-A1498 VanDerWaalsContact O-CB 3.22Å; L1494-A1498 WeakPolarHBondContact O-CB 3.43Å; L1494-A1498 PolarHBondContact O-N 3.03Å; L1494-Y1535 HydrophobicContact CB-CE2 4.24Å; L1494-L1538 HydrophobicContact CD1-CB 4.41Å; L1494-L1538 HydrophobicContact CD2-CB 4.27Å; L1494-L1538 HydrophobicContact CD2-CD1 4.4Å; L1494-L1538 HydrophobicContact CD2-CD2 4.27Å; L1494-Q1542 HydrophobicContact CD1-CB 4.16Å; L1494-Q1542 HydrophobicContact CD1-CG 4.33Å; L1494-T1550 HydrophobicContact CD1-CG2 3.83Å; L1494-T1550 HydrophobicContact CD2-CG2 3.95Å; L1494-T1550 HydrophobicContact CG-CG2 4.01Å; L1494-L1555 HydrophobicContact CD2-CD2 3.57Å
1495R77.6Confident65.6Low82 Ų8252.4 Ų52.431%0.30927%0.27SS..Hα-helixtrans-67.2-41.1172.6-64.8176.8165-151.5-16.5110D1493 Y1499 Y1535 E1904D1493-R1495 PolarHBondContact O-N 2.8Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.3Å; D1493-R1495 PolarHBondContact OD1-N 2.83Å; R1495-Y1499 VanDerWaalsContact O-CB 3.29Å; R1495-Y1499 WeakPolarHBondContact O-CB 3.39Å; R1495-Y1499 PolarHBondContact O-N 2.99Å; R1495-Y1535 HydrophobicContact CB-CE2 4.3Å; R1495-Y1535 HydrophobicContact CG-CD2 3.99Å; R1495-Y1535 HydrophobicContact CG-CE1 4.43Å; R1495-Y1535 HydrophobicContact CG-CE2 3.34Å; R1495-Y1535 PolarHBondContact NE-OH 3.46Å; R1495-E1904 IonicContact CZ-OE1 2.69Å; R1495-E1904 IonicContact NH2-OE1 3.31Å; R1495-E1904 PolarHBondContact NH2-OE1 3.35Å
1496Q77.5Confident68.2Low67 Ų6750.1 Ų50.131%0.31325%0.253SS..Hα-helixtrans-71.8-40.3176.2-141.31592.800111.4D1493 L1494 A1498 Y1499 H1500 C1571D1493-Q1496 HydrophobicContact CB-CB 3.96Å; D1493-Q1496 CarbonylContact O-C 3.51Å; D1493-Q1496 WeakPolarHBondContact O-CA 3.34Å; D1493-Q1496 WeakPolarHBondContact O-CB 3.31Å; D1493-Q1496 PolarHBondContact O-N 3.1Å; L1494-Q1496 VanDerWaalsContact C-N 3.34Å; Q1496-A1498 PolarHBondContact O-N 3.4Å; Q1496-Y1499 WeakPolarHBondContact O-CB 3.33Å; Q1496-Y1499 PolarHBondContact O-N 3.43Å; Q1496-Y1499 VanDerWaalsContact O-N 3.15Å; Q1496-H1500 PolarHBondContact O-CD2 3.27Å; Q1496-H1500 PolarHBondContact O-N 2.93Å; Q1496-C1571 VanDerWaalsContact C-SG 3.52Å
1497V80.8Confident70.6Confident0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-60.1-48.3171.4178.20000110.9L1492 D1493 Y1499 H1500 L1501 L1538 L1555 L1559 I1567 C1571L1492-V1497 HydrophobicContact CB-CG2 4.29Å; D1493-V1497 PolarHBondContact O-N 2.76Å; V1497-Y1499 PolarHBondContact O-N 3.3Å; V1497-H1500 PolarHBondContact O-N 2.9Å; V1497-L1501 VanDerWaalsContact O-CB 3.24Å; V1497-L1501 WeakPolarHBondContact O-CB 3.34Å; V1497-L1501 PolarHBondContact O-N 3.04Å; V1497-L1501 VanDerWaalsContact O-N 3.14Å; V1497-L1538 HydrophobicContact CB-CD1 4.12Å; V1497-L1538 HydrophobicContact CG1-CD1 3.82Å; V1497-L1555 HydrophobicContact CG1-CD1 4.48Å; V1497-L1555 HydrophobicContact CG1-CD2 4.34Å; V1497-L1555 HydrophobicContact CG2-CD2 4.24Å; V1497-L1559 HydrophobicContact CG1-CD1 4.05Å; V1497-L1559 HydrophobicContact CG1-CD2 4.25Å; V1497-I1567 HydrophobicContact CB-CG2 4.38Å; V1497-I1567 HydrophobicContact CG1-CG2 4.1Å; V1497-I1567 HydrophobicContact CG2-CG2 4.39Å; V1497-C1571 HydrophobicContact CG2-CB 4.16Å
1498A83.5Confident73Confident1 Ų147.3 Ų47.31%0.00823%0.231CC..Hα-helixtrans-58.8-36.8175.100000112.9L1494 Q1496 L1501 K1502 A1534 Y1535 L1538L1494-A1498 VanDerWaalsContact O-CB 3.22Å; L1494-A1498 WeakPolarHBondContact O-CB 3.43Å; L1494-A1498 PolarHBondContact O-N 3.03Å; Q1496-A1498 PolarHBondContact O-N 3.4Å; A1498-L1501 PolarHBondContact O-N 2.95Å; A1498-K1502 PolarHBondContact O-N 3.06Å; A1498-A1534 HydrophobicContact CB-CB 3.92Å; A1498-Y1535 HydrophobicContact CB-CD2 4.23Å; A1498-Y1535 HydrophobicContact CB-CG 4.44Å; A1498-L1538 HydrophobicContact CB-CD1 4.03Å
1499Y80.7Confident75.2Confident37 Ų3744.8 Ų44.815%0.14521%0.211CC..Hα-helixtrans-54.6-53-179.5-174.2-86.3000112.5L1434 T1435 D1436 R1495 Q1496 V1497 K1502L1434-Y1499 WeakPolarHBondContact O-CE1 3.17Å; L1434-Y1499 PolarHBondContact O-OH 2.77Å; L1434-Y1499 VanDerWaalsContact O-OH 3.04Å; T1435-Y1499 VanDerWaalsContact CA-OH 3.25Å; T1435-Y1499 WeakPolarHBondContact CA-OH 3.42Å; T1435-Y1499 PolarHBondContact N-OH 3.06Å; D1436-Y1499 HydrophobicContact CB-CD2 4.38Å; D1436-Y1499 HydrophobicContact CB-CE2 3.52Å; D1436-Y1499 VanDerWaalsContact CG-CZ 3.5Å; D1436-Y1499 PolarHBondContact N-OH 2.92Å; D1436-Y1499 PolarHBondContact OD1-OH 2.78Å; D1436-Y1499 WeakPolarHBondContact OD2-CE2 3.39Å; D1436-Y1499 PolarHBondContact OD2-OH 3.33Å; R1495-Y1499 VanDerWaalsContact O-CB 3.29Å; R1495-Y1499 WeakPolarHBondContact O-CB 3.39Å; R1495-Y1499 PolarHBondContact O-N 2.99Å; Q1496-Y1499 WeakPolarHBondContact O-CB 3.33Å; Q1496-Y1499 PolarHBondContact O-N 3.43Å; Q1496-Y1499 VanDerWaalsContact O-N 3.15Å; V1497-Y1499 PolarHBondContact O-N 3.3Å; Y1499-K1502 VanDerWaalsContact O-CE 3.28Å; Y1499-K1502 WeakPolarHBondContact O-CE 3.34Å; Y1499-K1502 WeakPolarHBondContact O-CG 3.32Å; Y1499-K1502 PolarHBondContact O-NZ 3.48Å
1500H81Confident77.1Confident28 Ų2845.8 Ų45.813%0.1322%0.217CC..Hα-helixtrans-80.9-25.6-178.5-51.2-75.5000111.8E1433 Q1496 V1497 R1564 I1567 C1571E1433-H1500 IonicContact OE1-CE1 2.74Å; E1433-H1500 PolarHBondContact OE1-CE1 3.38Å; E1433-H1500 IonicContact OE1-ND1 2.61Å; E1433-H1500 PolarHBondContact OE1-ND1 3.4Å; Q1496-H1500 PolarHBondContact O-CD2 3.27Å; Q1496-H1500 PolarHBondContact O-N 2.93Å; V1497-H1500 PolarHBondContact O-N 2.9Å; H1500-R1564 PolarHBondContact O-NH1 2.96Å; H1500-R1564 PolarHBondContact O-NH2 3.13Å; H1500-I1567 HydrophobicContact CB-CB 4.49Å; H1500-I1567 HydrophobicContact CB-CD1 3.91Å; H1500-I1567 HydrophobicContact CB-CG1 3.74Å; H1500-I1567 HydrophobicContact CB-CG2 4.27Å; H1500-C1571 VanDerWaalsContact CD2-SG 3.57Å
1501L82.9Confident78.9Confident0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-67-41.8-175.8-166.670000113.4V1497 A1498 S1503 D1504 W1505 L1508 A1534 L1559 I1562 R1564 I1567V1497-L1501 VanDerWaalsContact O-CB 3.24Å; V1497-L1501 WeakPolarHBondContact O-CB 3.34Å; V1497-L1501 PolarHBondContact O-N 3.04Å; V1497-L1501 VanDerWaalsContact O-N 3.14Å; A1498-L1501 PolarHBondContact O-N 2.95Å; L1501-S1503 PolarHBondContact O-N 3.26Å; L1501-D1504 HydrophobicContact CD1-CB 4.42Å; L1501-D1504 PolarHBondContact O-N 2.77Å; L1501-D1504 VanDerWaalsContact O-N 3.1Å; L1501-W1505 HydrophobicContact CD2-CB 3.88Å; L1501-W1505 HydrophobicContact CG-CB 4.41Å; L1501-L1508 HydrophobicContact CD1-CB 4.27Å; L1501-L1508 HydrophobicContact CD1-CD2 4.01Å; L1501-L1508 HydrophobicContact CD2-CB 4.05Å; L1501-L1508 HydrophobicContact CD2-CD2 3.43Å; L1501-L1508 VanDerWaalsContact CD2-CD2 3.43Å; L1501-L1508 HydrophobicContact CD2-CG 4.38Å; L1501-L1508 HydrophobicContact CG-CD2 4.39Å; L1501-A1534 HydrophobicContact CB-CB 4.45Å; L1501-A1534 HydrophobicContact CD2-CB 4.21Å; L1501-L1559 HydrophobicContact CD1-CD2 4.09Å; L1501-I1562 HydrophobicContact CD1-CD1 3.65Å; L1501-R1564 PolarHBondContact O-NH2 2.91Å; L1501-I1567 HydrophobicContact CB-CD1 4.04Å; L1501-I1567 HydrophobicContact CD1-CD1 3.85Å
1502K75.7Confident80.2Confident56 Ų5643.2 Ų43.224%0.24321%0.21CC..G310 helixtrans43.2-119.5177.2-54.8-168.8-175.9-56.10112.2D1436 A1498 Y1499 D1504 W1505D1436-K1502 IonicContact OD1-NZ 4Å; D1436-K1502 IonicContact OD2-NZ 2.87Å; D1436-K1502 PolarHBondContact OD2-NZ 3.33Å; A1498-K1502 PolarHBondContact O-N 3.06Å; Y1499-K1502 VanDerWaalsContact O-CE 3.28Å; Y1499-K1502 WeakPolarHBondContact O-CE 3.34Å; Y1499-K1502 WeakPolarHBondContact O-CG 3.32Å; Y1499-K1502 PolarHBondContact O-NZ 3.48Å; K1502-D1504 PolarHBondContact O-N 3.35Å; K1502-D1504 VanDerWaalsContact O-N 3.16Å; K1502-W1505 VanDerWaalsContact O-CD1 3.31Å
1503S80.4Confident81Confident60 Ų6045.5 Ų45.542%0.4224%0.237SC..G310 helixtrans-55.9-29.6-176.655.50000115.5L1501 W1505 E1530L1501-S1503 PolarHBondContact O-N 3.26Å; S1503-W1505 PolarHBondContact O-N 3.39Å; S1503-E1530 WeakPolarHBondContact CA-OE2 3.44Å; S1503-E1530 WeakPolarHBondContact CB-OE2 3.49Å; S1503-E1530 PolarHBondContact N-OE2 3.47Å
1504D83.9Confident81.6Confident44 Ų4442.4 Ų42.424%0.23522%0.221CC..G310 helixtrans-84.72.3-164.9-56.5-15.3000112.6L1501 K1502 R1506 I1507 L1508 R1564L1501-D1504 HydrophobicContact CD1-CB 4.42Å; L1501-D1504 PolarHBondContact O-N 2.77Å; L1501-D1504 VanDerWaalsContact O-N 3.1Å; K1502-D1504 PolarHBondContact O-N 3.35Å; K1502-D1504 VanDerWaalsContact O-N 3.16Å; D1504-R1506 PolarHBondContact O-N 2.74Å; D1504-R1506 VanDerWaalsContact O-N 3.11Å; D1504-I1507 PolarHBondContact O-N 2.84Å; D1504-L1508 PolarHBondContact O-N 3.13Å; D1504-R1564 IonicContact OD2-CZ 3.4Å; D1504-R1564 VanDerWaalsContact OD2-CZ 3.22Å; D1504-R1564 IonicContact OD2-NE 2.69Å; D1504-R1564 PolarHBondContact OD2-NE 2.84Å; D1504-R1564 IonicContact OD2-NH2 2.74Å; D1504-R1564 PolarHBondContact OD2-NH2 2.85Å
1505W85.1Confident81.9Confident4 Ų444.3 Ų44.32%0.01524%0.235CC..Hα-helixtrans-54.3-30.5177.477.5-94.6000113.7L1501 K1502 S1503 I1507 L1508 A1509 Q1519 I1522 T1523 Y1533 A1534L1501-W1505 HydrophobicContact CD2-CB 3.88Å; L1501-W1505 HydrophobicContact CG-CB 4.41Å; K1502-W1505 VanDerWaalsContact O-CD1 3.31Å; S1503-W1505 PolarHBondContact O-N 3.39Å; W1505-I1507 VanDerWaalsContact C-N 3.34Å; W1505-L1508 PolarHBondContact O-N 3.07Å; W1505-A1509 HydrophobicContact CE3-CB 4.22Å; W1505-A1509 HydrophobicContact CZ3-CB 4.46Å; W1505-A1509 WeakPolarHBondContact O-CB 3.47Å; W1505-A1509 PolarHBondContact O-N 3.01Å; W1505-Q1519 HydrophobicContact CH2-CB 4.33Å; W1505-Q1519 HydrophobicContact CH2-CG 4.5Å; W1505-Q1519 HydrophobicContact CZ3-CB 4.41Å; W1505-Q1519 HydrophobicContact CZ3-CG 4.11Å; W1505-I1522 HydrophobicContact CH2-CB 4.03Å; W1505-I1522 HydrophobicContact CH2-CD1 4.49Å; W1505-I1522 HydrophobicContact CH2-CG2 3.57Å; W1505-I1522 HydrophobicContact CZ2-CG2 4.08Å; W1505-I1522 HydrophobicContact CZ3-CB 4.36Å; W1505-I1522 HydrophobicContact CZ3-CD1 3.97Å; W1505-I1522 HydrophobicContact CZ3-CG2 3.95Å; W1505-T1523 HydrophobicContact CH2-CG2 4Å; W1505-T1523 HydrophobicContact CZ2-CG2 3.75Å; W1505-Y1533 VanDerWaalsContact CE2-CB 3.48Å; W1505-Y1533 HydrophobicContact CZ2-CG 4.27Å; W1505-A1534 HydrophobicContact CB-CB 3.75Å; W1505-A1534 HydrophobicContact CG-CB 4.36Å
1506R83.5Confident82.1Confident134 Ų13445.9 Ų45.951%0.50625%0.25SS..Hα-helixtrans-66.9-36.3175.6-66.9-176.1178.6147.80.6112.5D1504 Q1510D1504-R1506 PolarHBondContact O-N 2.74Å; D1504-R1506 VanDerWaalsContact O-N 3.11Å; R1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; R1506-Q1510 PolarHBondContact O-N 3.17Å; R1506-Q1510 VanDerWaalsContact O-N 3.12Å
1507I84.3Confident82.3Confident89 Ų8949.6 Ų49.646%0.45627%0.267SS..Hα-helixtrans-73.6-43.2177.6-43.5-179.5000108.8D1504 W1505 A1509 Q1510 C1511 I1562D1504-I1507 PolarHBondContact O-N 2.84Å; W1505-I1507 VanDerWaalsContact C-N 3.34Å; I1507-A1509 PolarHBondContact O-N 3.49Å; I1507-Q1510 PolarHBondContact O-N 3.36Å; I1507-C1511 PolarHBondContact O-N 2.85Å; I1507-C1511 PolarHBondContact O-SG 3.38Å; I1507-I1562 HydrophobicContact CB-CG2 4.11Å; I1507-I1562 HydrophobicContact CG2-CB 4.25Å; I1507-I1562 HydrophobicContact CG2-CG2 3.62Å
1508L84.5Confident82.3Confident0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-61.8-43.2174.3-164.867.7000111.5L1501 D1504 W1505 Q1510 C1511 L1512 L1538 L1555 A1558 L1559 I1562L1501-L1508 HydrophobicContact CD1-CB 4.27Å; L1501-L1508 HydrophobicContact CD1-CD2 4.01Å; L1501-L1508 HydrophobicContact CD2-CB 4.05Å; L1501-L1508 HydrophobicContact CD2-CD2 3.43Å; L1501-L1508 VanDerWaalsContact CD2-CD2 3.43Å; L1501-L1508 HydrophobicContact CD2-CG 4.38Å; L1501-L1508 HydrophobicContact CG-CD2 4.39Å; D1504-L1508 PolarHBondContact O-N 3.13Å; W1505-L1508 PolarHBondContact O-N 3.07Å; L1508-Q1510 VanDerWaalsContact C-N 3.32Å; L1508-Q1510 PolarHBondContact O-N 3.26Å; L1508-C1511 CarbonylContact O-C 3.49Å; L1508-C1511 WeakPolarHBondContact O-CA 3.28Å; L1508-C1511 PolarHBondContact O-N 3.29Å; L1508-L1512 HydrophobicContact CD1-CD1 4.43Å; L1508-L1512 HydrophobicContact CD1-CG 4.38Å; L1508-L1512 HydrophobicContact CD2-CD1 3.97Å; L1508-L1512 HydrophobicContact CG-CD1 3.73Å; L1508-L1512 HydrophobicContact CG-CG 4.04Å; L1508-L1512 WeakPolarHBondContact O-CB 3.42Å; L1508-L1512 VanDerWaalsContact O-CG 3.3Å; L1508-L1512 WeakPolarHBondContact O-CG 3.25Å; L1508-L1512 PolarHBondContact O-N 3.23Å; L1508-L1538 HydrophobicContact CD2-CD2 3.91Å; L1508-L1555 HydrophobicContact CD2-CD1 4.11Å; L1508-A1558 HydrophobicContact CD1-CB 3.69Å; L1508-L1559 HydrophobicContact CD1-CD2 4.2Å; L1508-L1559 HydrophobicContact CD1-CG 4.36Å; L1508-L1559 HydrophobicContact CD2-CD2 4.2Å; L1508-I1562 HydrophobicContact CB-CD1 4.03Å; L1508-I1562 HydrophobicContact CD1-CD1 3.89Å; L1508-I1562 HydrophobicContact CD1-CG1 4.3Å; L1508-I1562 HydrophobicContact CD1-CG2 4.42Å; L1508-I1562 HydrophobicContact CG-CD1 4.47Å
1509A83.7Confident82.1Confident0 Ų051.2 Ų51.20%028%0.275CS..Hα-helixtrans-57.5-42.5176.700000112W1505 I1507 L1512 G1513 L1514 Q1519W1505-A1509 HydrophobicContact CE3-CB 4.22Å; W1505-A1509 HydrophobicContact CZ3-CB 4.46Å; W1505-A1509 WeakPolarHBondContact O-CB 3.47Å; W1505-A1509 PolarHBondContact O-N 3.01Å; I1507-A1509 PolarHBondContact O-N 3.49Å; A1509-L1512 CarbonylContact O-C 3.49Å; A1509-L1512 PolarHBondContact O-N 3.39Å; A1509-G1513 PolarHBondContact O-N 2.86Å; A1509-L1514 HydrophobicContact CB-CB 4.07Å; A1509-L1514 HydrophobicContact CB-CD1 3.88Å; A1509-L1514 HydrophobicContact CB-CG 4.49Å; A1509-L1514 PolarHBondContact O-N 2.98Å; A1509-Q1519 HydrophobicContact CB-CG 4.25Å
1510Q83.5Confident82.3Confident119 Ų11957.1 Ų57.156%0.55630%0.299SS*.Hα-helixtrans-66.5-37.9173.4-73.5-178.6-15.300112.6R1506 I1507 L1508 G1513R1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; R1506-Q1510 PolarHBondContact O-N 3.17Å; R1506-Q1510 VanDerWaalsContact O-N 3.12Å; I1507-Q1510 PolarHBondContact O-N 3.36Å; L1508-Q1510 VanDerWaalsContact C-N 3.32Å; L1508-Q1510 PolarHBondContact O-N 3.26Å; Q1510-G1513 PolarHBondContact O-N 3.15Å
1511C83Confident82.2Confident66 Ų6659.8 Ų59.845%0.44631%0.313SS..Hα-helixtrans-70.2-30173.9-69.90000113.7I1507 L1508 A1558 I1562I1507-C1511 PolarHBondContact O-N 2.85Å; I1507-C1511 PolarHBondContact O-SG 3.38Å; L1508-C1511 CarbonylContact O-C 3.49Å; L1508-C1511 WeakPolarHBondContact O-CA 3.28Å; L1508-C1511 PolarHBondContact O-N 3.29Å; C1511-A1558 HydrophobicContact CB-CB 4.38Å; C1511-I1562 HydrophobicContact CB-CG2 4.33Å
1512L80.4Confident82.1Confident22 Ų2260.3 Ų60.312%0.11532%0.316CS..THydrogen-bonded Turntrans-88.6-1177.7-67.9-179.6000113.5L1508 A1509 L1538 W1541 L1555 A1558L1508-L1512 HydrophobicContact CD1-CD1 4.43Å; L1508-L1512 HydrophobicContact CD1-CG 4.38Å; L1508-L1512 HydrophobicContact CD2-CD1 3.97Å; L1508-L1512 HydrophobicContact CG-CD1 3.73Å; L1508-L1512 HydrophobicContact CG-CG 4.04Å; L1508-L1512 WeakPolarHBondContact O-CB 3.42Å; L1508-L1512 VanDerWaalsContact O-CG 3.3Å; L1508-L1512 WeakPolarHBondContact O-CG 3.25Å; L1508-L1512 PolarHBondContact O-N 3.23Å; A1509-L1512 CarbonylContact O-C 3.49Å; A1509-L1512 PolarHBondContact O-N 3.39Å; L1512-L1538 HydrophobicContact CD1-CD2 3.95Å; L1512-W1541 HydrophobicContact CB-CG 4.14Å; L1512-W1541 HydrophobicContact CD1-CB 4.39Å; L1512-W1541 HydrophobicContact CD1-CD2 3.98Å; L1512-W1541 HydrophobicContact CD1-CE3 4.38Å; L1512-W1541 HydrophobicContact CD1-CG 3.97Å; L1512-W1541 HydrophobicContact CD2-CD2 4.21Å; L1512-W1541 HydrophobicContact CD2-CZ2 3.98Å; L1512-W1541 HydrophobicContact CG-CG 4.46Å; L1512-L1555 HydrophobicContact CD1-CD1 4.23Å; L1512-A1558 HydrophobicContact CD2-CB 3.45Å; L1512-A1558 VanDerWaalsContact CD2-CB 3.45Å; L1512-A1558 HydrophobicContact CG-CB 4.1Å
1513G81.1Confident82.3Confident62 Ų6260 Ų6064%0.63932%0.319SS*.THydrogen-bonded Turntrans85.417173.400000116.3A1509 Q1510A1509-G1513 PolarHBondContact O-N 2.86Å; Q1510-G1513 PolarHBondContact O-N 3.15Å
1514L81.6Confident82.1Confident7 Ų760.4 Ų60.44%0.03732%0.322CS..  trans-76.6132.7172.9-64.4173.2000110.9A1509 D1518 Q1519 S1537 L1540A1509-L1514 HydrophobicContact CB-CB 4.07Å; A1509-L1514 HydrophobicContact CB-CD1 3.88Å; A1509-L1514 HydrophobicContact CB-CG 4.49Å; A1509-L1514 PolarHBondContact O-N 2.98Å; L1514-D1518 HydrophobicContact CB-CB 4.37Å; L1514-Q1519 PolarHBondContact O-NE2 3.09Å; L1514-S1537 WeakPolarHBondContact CD1-O 3.43Å; L1514-L1540 HydrophobicContact CD2-CB 4.2Å
1515S84.2Confident81.2Confident53 Ų5362.5 Ų62.537%0.37133%0.333SS..  trans-73.1164.1-175.172.30000112.9E1517 D1518 Q1519S1515-E1517 PolarHBondContact O-N 2.84Å; S1515-E1517 PolarHBondContact OG-N 3.42Å; S1515-D1518 WeakPolarHBondContact CB-OD2 3.18Å; S1515-D1518 PolarHBondContact N-OD2 2.81Å; S1515-D1518 WeakPolarHBondContact O-CB 3.42Å; S1515-D1518 PolarHBondContact O-N 3.23Å; S1515-D1518 PolarHBondContact OG-N 3.37Å; S1515-D1518 VanDerWaalsContact OG-N 3.11Å; S1515-D1518 PolarHBondContact OG-OD2 3.38Å; S1515-Q1519 WeakPolarHBondContact O-CG 3.38Å; S1515-Q1519 PolarHBondContact O-N 2.86Å; S1515-Q1519 PolarHBondContact O-NE2 3.08Å
1516D82.3Confident80Confident115 Ų11567.3 Ų67.362%0.61537%0.365SS*.Hα-helixtrans-63.2-24.8173.3-65.2-29.6000112.3Q1519 Y1520D1516-Q1519 PolarHBondContact OD1-NE2 3.4Å; D1516-Y1520 WeakPolarHBondContact O-CB 3.14Å; D1516-Y1520 PolarHBondContact O-N 3.48Å
1517E82.3Confident78.8Confident144 Ų14468.8 Ų68.867%0.67338%0.383SS*.Hα-helixtrans-76.5-37.3174.5-170.2161.9-164.200111.6S1515 Y1520 N1521S1515-E1517 PolarHBondContact O-N 2.84Å; S1515-E1517 PolarHBondContact OG-N 3.42Å; E1517-Y1520 PolarHBondContact O-N 3.39Å; E1517-N1521 WeakPolarHBondContact O-CB 3.37Å; E1517-N1521 PolarHBondContact O-N 2.68Å; E1517-N1521 PolarHBondContact O-ND2 2.88Å; E1517-N1521 VanDerWaalsContact O-ND2 3.08Å
1518D80.2Confident78Confident19 Ų1968.2 Ų68.210%0.10238%0.375CS..Hα-helixtrans-61.7-47.1170-58.8-54.8000110.9L1514 S1515 Y1520 N1521 I1522 R1544L1514-D1518 HydrophobicContact CB-CB 4.37Å; S1515-D1518 WeakPolarHBondContact CB-OD2 3.18Å; S1515-D1518 PolarHBondContact N-OD2 2.81Å; S1515-D1518 WeakPolarHBondContact O-CB 3.42Å; S1515-D1518 PolarHBondContact O-N 3.23Å; S1515-D1518 PolarHBondContact OG-N 3.37Å; S1515-D1518 VanDerWaalsContact OG-N 3.11Å; S1515-D1518 PolarHBondContact OG-OD2 3.38Å; D1518-Y1520 VanDerWaalsContact C-N 3.34Å; D1518-Y1520 PolarHBondContact O-N 3.13Å; D1518-N1521 PolarHBondContact O-N 3.49Å; D1518-I1522 VanDerWaalsContact O-CG1 3.3Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.44Å; D1518-I1522 PolarHBondContact O-N 2.91Å; D1518-R1544 VanDerWaalsContact CG-NH2 3.34Å; D1518-R1544 IonicContact OD1-CZ 3.67Å; D1518-R1544 IonicContact OD1-NH1 3.93Å; D1518-R1544 IonicContact OD1-NH2 3.2Å; D1518-R1544 PolarHBondContact OD1-NH2 3.3Å; D1518-R1544 IonicContact OD2-CZ 3.54Å; D1518-R1544 IonicContact OD2-NH1 3.58Å; D1518-R1544 PolarHBondContact OD2-NH1 2.98Å; D1518-R1544 IonicContact OD2-NH2 2.71Å; D1518-R1544 PolarHBondContact OD2-NH2 3.2Å
1519Q80.7Confident77.7Confident17 Ų1770.7 Ų70.78%0.07939%0.391CS..Hα-helixtrans-61.3-41.1176.4-69.3169.466.100111.8W1505 A1509 L1514 S1515 D1516 T1523W1505-Q1519 HydrophobicContact CH2-CB 4.33Å; W1505-Q1519 HydrophobicContact CH2-CG 4.5Å; W1505-Q1519 HydrophobicContact CZ3-CB 4.41Å; W1505-Q1519 HydrophobicContact CZ3-CG 4.11Å; A1509-Q1519 HydrophobicContact CB-CG 4.25Å; L1514-Q1519 PolarHBondContact O-NE2 3.09Å; S1515-Q1519 WeakPolarHBondContact O-CG 3.38Å; S1515-Q1519 PolarHBondContact O-N 2.86Å; S1515-Q1519 PolarHBondContact O-NE2 3.08Å; D1516-Q1519 PolarHBondContact OD1-NE2 3.4Å; Q1519-T1523 WeakPolarHBondContact O-CG2 3.39Å; Q1519-T1523 PolarHBondContact O-N 3.46Å; Q1519-T1523 VanDerWaalsContact O-N 3.09Å; Q1519-T1523 PolarHBondContact O-OG1 3.16Å
1520Y84.3Confident77.5Confident161 Ų16175.3 Ų75.363%0.63141%0.412SS*.Hα-helixtrans-61.4-48.5174.2-179.6-97.4000111.3D1516 E1517 D1518 I1522 T1523 S1524D1516-Y1520 WeakPolarHBondContact O-CB 3.14Å; D1516-Y1520 PolarHBondContact O-N 3.48Å; E1517-Y1520 PolarHBondContact O-N 3.39Å; D1518-Y1520 VanDerWaalsContact C-N 3.34Å; D1518-Y1520 PolarHBondContact O-N 3.13Å; Y1520-I1522 PolarHBondContact O-N 2.98Å; Y1520-T1523 CarbonylContact O-C 3.59Å; Y1520-T1523 PolarHBondContact O-N 2.85Å; Y1520-T1523 VanDerWaalsContact O-N 3.08Å; Y1520-T1523 PolarHBondContact O-OG1 3.39Å; Y1520-S1524 PolarHBondContact O-N 2.97Å
1521N79.3Confident77.3Confident83 Ų8371.4 Ų71.444%0.44439%0.394SS..Hα-helixtrans-59.7-44178.7-72.4-31000111.9E1517 D1518 T1523 S1524E1517-N1521 WeakPolarHBondContact O-CB 3.37Å; E1517-N1521 PolarHBondContact O-N 2.68Å; E1517-N1521 PolarHBondContact O-ND2 2.88Å; E1517-N1521 VanDerWaalsContact O-ND2 3.08Å; D1518-N1521 PolarHBondContact O-N 3.49Å; N1521-T1523 VanDerWaalsContact C-N 3.32Å; N1521-T1523 PolarHBondContact O-N 2.9Å; N1521-S1524 WeakPolarHBondContact O-CB 3.44Å; N1521-S1524 PolarHBondContact O-N 3.38Å; N1521-S1524 VanDerWaalsContact O-N 3.13Å; N1521-S1524 PolarHBondContact O-OG 3.06Å
1522I79.7Confident77.2Confident11 Ų1170.2 Ų70.26%0.05638%0.382CS..Hα-helixtrans-56.1-45.3172.6-70.8163.6000110.9W1505 D1518 Y1520 S1524 Y1533 L1540W1505-I1522 HydrophobicContact CH2-CB 4.03Å; W1505-I1522 HydrophobicContact CH2-CD1 4.49Å; W1505-I1522 HydrophobicContact CH2-CG2 3.57Å; W1505-I1522 HydrophobicContact CZ2-CG2 4.08Å; W1505-I1522 HydrophobicContact CZ3-CB 4.36Å; W1505-I1522 HydrophobicContact CZ3-CD1 3.97Å; W1505-I1522 HydrophobicContact CZ3-CG2 3.95Å; D1518-I1522 VanDerWaalsContact O-CG1 3.3Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.44Å; D1518-I1522 PolarHBondContact O-N 2.91Å; Y1520-I1522 PolarHBondContact O-N 2.98Å; I1522-S1524 VanDerWaalsContact C-N 3.3Å; I1522-S1524 PolarHBondContact O-N 3.31Å; I1522-Y1533 HydrophobicContact CG2-CD1 3.64Å; I1522-Y1533 HydrophobicContact CG2-CG 4.14Å; I1522-Y1533 WeakPolarHBondContact O-CD1 3.5Å; I1522-Y1533 VanDerWaalsContact O-CE1 3.31Å; I1522-Y1533 WeakPolarHBondContact O-CE1 3.39Å; I1522-L1540 HydrophobicContact CD1-CD1 3.91Å; I1522-L1540 HydrophobicContact CG1-CD1 3.97Å
1523T80.2Confident77.5Confident49 Ų4970.8 Ų70.830%0.30138%0.383SS..Hα-helixtrans-77.8-5.917959.80000115.5W1505 Q1519 Y1520 N1521 L1525W1505-T1523 HydrophobicContact CH2-CG2 4Å; W1505-T1523 HydrophobicContact CZ2-CG2 3.75Å; Q1519-T1523 WeakPolarHBondContact O-CG2 3.39Å; Q1519-T1523 PolarHBondContact O-N 3.46Å; Q1519-T1523 VanDerWaalsContact O-N 3.09Å; Q1519-T1523 PolarHBondContact O-OG1 3.16Å; Y1520-T1523 CarbonylContact O-C 3.59Å; Y1520-T1523 PolarHBondContact O-N 2.85Å; Y1520-T1523 VanDerWaalsContact O-N 3.08Å; Y1520-T1523 PolarHBondContact O-OG1 3.39Å; N1521-T1523 VanDerWaalsContact C-N 3.32Å; N1521-T1523 PolarHBondContact O-N 2.9Å; T1523-L1525 VanDerWaalsContact C-N 3.29Å; T1523-L1525 PolarHBondContact O-N 2.97Å
1524S76.9Confident77.7Confident69 Ų6967.9 Ų67.948%0.48335%0.353SS..THydrogen-bonded Turntrans-75.2-17.5-175.574.20000114Y1520 N1521 I1522 P1526Y1520-S1524 PolarHBondContact O-N 2.97Å; N1521-S1524 WeakPolarHBondContact O-CB 3.44Å; N1521-S1524 PolarHBondContact O-N 3.38Å; N1521-S1524 VanDerWaalsContact O-N 3.13Å; N1521-S1524 PolarHBondContact O-OG 3.06Å; I1522-S1524 VanDerWaalsContact C-N 3.3Å; I1522-S1524 PolarHBondContact O-N 3.31Å; S1524-P1526 WeakPolarHBondContact O-CD 3.28Å
1525L64.3Low77.9Confident88 Ų8870.4 Ų70.446%0.46136%0.362SS..SBendtrans-88114.3-178.8-67.5171.2000110.8T1523 Y1533T1523-L1525 VanDerWaalsContact C-N 3.29Å; T1523-L1525 PolarHBondContact O-N 2.97Å; L1525-Y1533 PolarHBondContact O-OH 2.92Å
1526P60.2Low77.9Confident106 Ų10669.6 Ų69.669%0.68836%0.355SS*.THydrogen-bonded Turntrans-70.6152.2-174.728.4-35.2000113.5S1524 R1528S1524-P1526 WeakPolarHBondContact O-CD 3.28Å; P1526-R1528 PolarHBondContact O-N 3.48Å
1527N59Low78.1Confident165 Ų16564.1 Ų64.188%0.88233%0.326SS*.THydrogen-bonded Turntrans64.721.4171.8-60.7-13.6000117.2
1528R67.4Low78.3Confident76 Ų7657.3 Ų57.329%0.28729%0.294SS..  trans-86.4134.8162.8-63.8-167.1172.1-151.4-5.6110.6P1526 E1532 Y1533P1526-R1528 PolarHBondContact O-N 3.48Å; R1528-E1532 HydrophobicContact CB-CB 4.07Å; R1528-E1532 VanDerWaalsContact CB-OE2 3.28Å; R1528-E1532 WeakPolarHBondContact CB-OE2 3.38Å; R1528-E1532 WeakPolarHBondContact CD-OE2 3.41Å; R1528-E1532 WeakPolarHBondContact CG-OE2 3.27Å; R1528-E1532 IonicContact NE-OE2 3.36Å; R1528-Y1533 HydrophobicContact CB-CD1 4.5Å; R1528-Y1533 HydrophobicContact CB-CE1 3.85Å; R1528-Y1533 HydrophobicContact CB-CE2 4.48Å; R1528-Y1533 WeakPolarHBondContact O-CE2 3.26Å; R1528-Y1533 VanDerWaalsContact O-CZ 3.23Å; R1528-Y1533 PolarHBondContact O-OH 2.87Å
1529P76.6Confident78.4Confident53 Ų5358.8 Ų58.834%0.34430%0.301SS..  trans-80.6170.7171.235.5-36.5000111.4R1438 E1531 E1532R1438-P1529 VanDerWaalsContact NH1-CD 3.31Å; P1529-E1531 VanDerWaalsContact C-N 3.34Å; P1529-E1531 PolarHBondContact O-N 2.93Å; P1529-E1532 PolarHBondContact O-N 2.87Å
1530E79.5Confident78.5Confident96 Ų9660 Ų6045%0.44931%0.309SS..Hα-helixtrans-63.6-31.9-162.9-59.2-170152.500114.5S1503 E1532 Y1533 A1534S1503-E1530 WeakPolarHBondContact CA-OE2 3.44Å; S1503-E1530 WeakPolarHBondContact CB-OE2 3.49Å; S1503-E1530 PolarHBondContact N-OE2 3.47Å; E1530-E1532 PolarHBondContact O-N 2.97Å; E1530-Y1533 PolarHBondContact O-N 3.26Å; E1530-A1534 PolarHBondContact O-N 3.33Å
1531E81.1Confident78.5Confident38 Ų3852.6 Ų52.618%0.17828%0.279CS..Hα-helixtrans-60.2-30.9175.2-42.693.5-115.900112.9D1436 R1438 P1529 Y1535D1436-E1531 WeakPolarHBondContact OD2-CG 3.42Å; R1438-E1531 WeakPolarHBondContact CD-OE2 3.36Å; P1529-E1531 VanDerWaalsContact C-N 3.34Å; P1529-E1531 PolarHBondContact O-N 2.93Å; E1531-Y1535 VanDerWaalsContact O-CB 3.24Å; E1531-Y1535 WeakPolarHBondContact O-CB 3.38Å; E1531-Y1535 PolarHBondContact O-N 2.99Å
1532E80.5Confident78.6Confident41 Ų4150.7 Ų50.719%0.19227%0.268CS..Hα-helixtrans-77.1-32.7179.7-124.4166-172.600112R1438 R1528 P1529 E1530 T1536R1438-E1532 VanDerWaalsContact CZ-CD 3.42Å; R1438-E1532 IonicContact CZ-OE1 3.86Å; R1438-E1532 IonicContact CZ-OE2 2.62Å; R1438-E1532 VanDerWaalsContact CZ-OE2 3.23Å; R1438-E1532 VanDerWaalsContact NH1-CB 3.33Å; R1438-E1532 VanDerWaalsContact NH1-CG 3.31Å; R1438-E1532 IonicContact NH1-OE1 2.72Å; R1438-E1532 IonicContact NH1-OE2 3.5Å; R1438-E1532 PolarHBondContact NH1-OE2 2.88Å; R1438-E1532 IonicContact NH2-OE1 3.09Å; R1438-E1532 PolarHBondContact NH2-OE1 3.12Å; R1438-E1532 IonicContact NH2-OE2 3.38Å; R1438-E1532 PolarHBondContact NH2-OE2 3.44Å; R1528-E1532 HydrophobicContact CB-CB 4.07Å; R1528-E1532 VanDerWaalsContact CB-OE2 3.28Å; R1528-E1532 WeakPolarHBondContact CB-OE2 3.38Å; R1528-E1532 WeakPolarHBondContact CD-OE2 3.41Å; R1528-E1532 WeakPolarHBondContact CG-OE2 3.27Å; R1528-E1532 IonicContact NE-OE2 3.36Å; P1529-E1532 PolarHBondContact O-N 2.87Å; E1530-E1532 PolarHBondContact O-N 2.97Å; E1532-T1536 WeakPolarHBondContact O-CB 3.5Å; E1532-T1536 WeakPolarHBondContact O-CG2 3.38Å; E1532-T1536 PolarHBondContact O-N 2.87Å; E1532-T1536 PolarHBondContact O-OG1 2.93Å
1533Y86.5Confident78.5Confident34 Ų3456.6 Ų56.613%0.13330%0.295CS..Hα-helixtrans-70.2-38.9171.2-57.1-52.1000110.4W1505 I1522 L1525 R1528 E1530 T1536 S1537W1505-Y1533 VanDerWaalsContact CE2-CB 3.48Å; W1505-Y1533 HydrophobicContact CZ2-CG 4.27Å; I1522-Y1533 HydrophobicContact CG2-CD1 3.64Å; I1522-Y1533 HydrophobicContact CG2-CG 4.14Å; I1522-Y1533 WeakPolarHBondContact O-CD1 3.5Å; I1522-Y1533 VanDerWaalsContact O-CE1 3.31Å; I1522-Y1533 WeakPolarHBondContact O-CE1 3.39Å; L1525-Y1533 PolarHBondContact O-OH 2.92Å; R1528-Y1533 HydrophobicContact CB-CD1 4.5Å; R1528-Y1533 HydrophobicContact CB-CE1 3.85Å; R1528-Y1533 HydrophobicContact CB-CE2 4.48Å; R1528-Y1533 WeakPolarHBondContact O-CE2 3.26Å; R1528-Y1533 VanDerWaalsContact O-CZ 3.23Å; R1528-Y1533 PolarHBondContact O-OH 2.87Å; E1530-Y1533 PolarHBondContact O-N 3.26Å; Y1533-T1536 WeakPolarHBondContact CA-OG1 3.45Å; Y1533-T1536 PolarHBondContact O-OG1 3.42Å; Y1533-S1537 VanDerWaalsContact O-CB 3.31Å; Y1533-S1537 WeakPolarHBondContact O-CB 3.4Å; Y1533-S1537 PolarHBondContact O-N 3.38Å; Y1533-S1537 PolarHBondContact O-OG 3.38Å
1534A85.8Confident78.4Confident0 Ų060.6 Ų60.60%031%0.305CS..Hα-helixtrans-59.4-52.8171.300000111.8A1498 L1501 W1505 E1530 S1537 L1538A1498-A1534 HydrophobicContact CB-CB 3.92Å; L1501-A1534 HydrophobicContact CB-CB 4.45Å; L1501-A1534 HydrophobicContact CD2-CB 4.21Å; W1505-A1534 HydrophobicContact CB-CB 3.75Å; W1505-A1534 HydrophobicContact CG-CB 4.36Å; E1530-A1534 PolarHBondContact O-N 3.33Å; A1534-S1537 PolarHBondContact O-N 3.41Å; A1534-S1537 PolarHBondContact O-OG 3.02Å; A1534-L1538 PolarHBondContact O-N 3.34Å
1535Y86Confident78.1Confident61 Ų6160.3 Ų60.324%0.23930%0.298CS..Hα-helixtrans-66.3-40.4-178.8-174.4-121.5000112.7L1494 R1495 A1498 E1531 S1537 L1538 L1539L1494-Y1535 HydrophobicContact CB-CE2 4.24Å; R1495-Y1535 HydrophobicContact CB-CE2 4.3Å; R1495-Y1535 HydrophobicContact CG-CD2 3.99Å; R1495-Y1535 HydrophobicContact CG-CE1 4.43Å; R1495-Y1535 HydrophobicContact CG-CE2 3.34Å; R1495-Y1535 PolarHBondContact NE-OH 3.46Å; A1498-Y1535 HydrophobicContact CB-CD2 4.23Å; A1498-Y1535 HydrophobicContact CB-CG 4.44Å; E1531-Y1535 VanDerWaalsContact O-CB 3.24Å; E1531-Y1535 WeakPolarHBondContact O-CB 3.38Å; E1531-Y1535 PolarHBondContact O-N 2.99Å; Y1535-S1537 VanDerWaalsContact C-N 3.35Å; Y1535-L1538 PolarHBondContact O-N 3.37Å; Y1535-L1539 HydrophobicContact CD1-CD1 3.88Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.51Å; Y1535-L1539 HydrophobicContact CE1-CG 4.49Å; Y1535-L1539 HydrophobicContact CE2-CD1 4.3Å; Y1535-L1539 HydrophobicContact CE2-CG 4.46Å; Y1535-L1539 HydrophobicContact CG-CD1 4.44Å; Y1535-L1539 WeakPolarHBondContact O-CB 3.3Å; Y1535-L1539 PolarHBondContact O-N 3.33Å
1536T84.2Confident77.9Confident35 Ų3557.5 Ų57.522%0.21529%0.29CS..Hα-helixtrans-67.6-32.5173.349.10000112.6E1532 Y1533 L1540E1532-T1536 WeakPolarHBondContact O-CB 3.5Å; E1532-T1536 WeakPolarHBondContact O-CG2 3.38Å; E1532-T1536 PolarHBondContact O-N 2.87Å; E1532-T1536 PolarHBondContact O-OG1 2.93Å; Y1533-T1536 WeakPolarHBondContact CA-OG1 3.45Å; Y1533-T1536 PolarHBondContact O-OG1 3.42Å; T1536-L1540 WeakPolarHBondContact O-CB 3.35Å; T1536-L1540 PolarHBondContact O-N 3.47Å
1537S85.9Confident77.8Confident1 Ų158 Ų581%0.00729%0.287CS..Hα-helixtrans-67-41.2171.975.90000112.5L1514 Y1533 A1534 Y1535 L1540 W1541L1514-S1537 WeakPolarHBondContact CD1-O 3.43Å; Y1533-S1537 VanDerWaalsContact O-CB 3.31Å; Y1533-S1537 WeakPolarHBondContact O-CB 3.4Å; Y1533-S1537 PolarHBondContact O-N 3.38Å; Y1533-S1537 PolarHBondContact O-OG 3.38Å; A1534-S1537 PolarHBondContact O-N 3.41Å; A1534-S1537 PolarHBondContact O-OG 3.02Å; Y1535-S1537 VanDerWaalsContact C-N 3.35Å; S1537-L1540 PolarHBondContact O-N 3.47Å; S1537-W1541 PolarHBondContact O-N 3.05Å
1538L86Confident77.5Confident0 Ų055.3 Ų55.30%027%0.269CS..Hα-helixtrans-68.6-35.7176.4-73.8167.3000112.3L1494 V1497 A1498 L1508 L1512 A1534 Y1535 W1541 Q1542 L1555L1494-L1538 HydrophobicContact CD1-CB 4.41Å; L1494-L1538 HydrophobicContact CD2-CB 4.27Å; L1494-L1538 HydrophobicContact CD2-CD1 4.4Å; L1494-L1538 HydrophobicContact CD2-CD2 4.27Å; V1497-L1538 HydrophobicContact CB-CD1 4.12Å; V1497-L1538 HydrophobicContact CG1-CD1 3.82Å; A1498-L1538 HydrophobicContact CB-CD1 4.03Å; L1508-L1538 HydrophobicContact CD2-CD2 3.91Å; L1512-L1538 HydrophobicContact CD1-CD2 3.95Å; A1534-L1538 PolarHBondContact O-N 3.34Å; Y1535-L1538 PolarHBondContact O-N 3.37Å; L1538-W1541 PolarHBondContact O-N 2.81Å; L1538-Q1542 WeakPolarHBondContact O-CB 3.04Å; L1538-Q1542 PolarHBondContact O-N 3.45Å; L1538-L1555 HydrophobicContact CD2-CD1 3.75Å
1539L82.4Confident76.8Confident50 Ų5054.1 Ų54.126%0.26227%0.268SS..Hα-helixtrans-64.6-46.2169.4-88.9164.1000112.2Y1535 W1541 Q1542 E1543Y1535-L1539 HydrophobicContact CD1-CD1 3.88Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.51Å; Y1535-L1539 HydrophobicContact CE1-CG 4.49Å; Y1535-L1539 HydrophobicContact CE2-CD1 4.3Å; Y1535-L1539 HydrophobicContact CE2-CG 4.46Å; Y1535-L1539 HydrophobicContact CG-CD1 4.44Å; Y1535-L1539 WeakPolarHBondContact O-CB 3.3Å; Y1535-L1539 PolarHBondContact O-N 3.33Å; L1539-W1541 PolarHBondContact O-N 3.03Å; L1539-Q1542 CarbonylContact O-C 3.58Å; L1539-Q1542 PolarHBondContact O-N 3.36Å; L1539-Q1542 VanDerWaalsContact O-N 3.11Å; L1539-E1543 WeakPolarHBondContact O-CB 3.12Å; L1539-E1543 WeakPolarHBondContact O-CG 3.29Å; L1539-E1543 PolarHBondContact O-N 3.33Å
1540L83.1Confident75.6Confident44 Ų4452.6 Ų52.623%0.2326%0.258CS..Hα-helixtrans-62.4-29.3177.3-119.3160.9000112.4L1514 I1522 T1536 S1537 R1544L1514-L1540 HydrophobicContact CD2-CB 4.2Å; I1522-L1540 HydrophobicContact CD1-CD1 3.91Å; I1522-L1540 HydrophobicContact CG1-CD1 3.97Å; T1536-L1540 WeakPolarHBondContact O-CB 3.35Å; T1536-L1540 PolarHBondContact O-N 3.47Å; S1537-L1540 PolarHBondContact O-N 3.47Å; L1540-R1544 WeakPolarHBondContact O-CG 3.41Å
1541W84.9Confident74.3Confident5 Ų551.6 Ų51.62%0.01926%0.262CS..Hα-helixtrans-73.9-47.9170178.671.1000111.8L1512 S1537 L1538 L1539 E1543 R1544 N1545 L1549 T1550 Q1554 L1555L1512-W1541 HydrophobicContact CB-CG 4.14Å; L1512-W1541 HydrophobicContact CD1-CB 4.39Å; L1512-W1541 HydrophobicContact CD1-CD2 3.98Å; L1512-W1541 HydrophobicContact CD1-CE3 4.38Å; L1512-W1541 HydrophobicContact CD1-CG 3.97Å; L1512-W1541 HydrophobicContact CD2-CD2 4.21Å; L1512-W1541 HydrophobicContact CD2-CZ2 3.98Å; L1512-W1541 HydrophobicContact CG-CG 4.46Å; S1537-W1541 PolarHBondContact O-N 3.05Å; L1538-W1541 PolarHBondContact O-N 2.81Å; L1539-W1541 PolarHBondContact O-N 3.03Å; W1541-E1543 VanDerWaalsContact C-N 3.35Å; W1541-E1543 PolarHBondContact O-N 2.88Å; W1541-R1544 PolarHBondContact O-N 2.95Å; W1541-R1544 VanDerWaalsContact O-N 3.1Å; W1541-N1545 PolarHBondContact NE1-ND2 2.98Å; W1541-N1545 VanDerWaalsContact NE1-ND2 3.12Å; W1541-N1545 WeakPolarHBondContact O-CB 3.31Å; W1541-N1545 PolarHBondContact O-N 2.94Å; W1541-L1549 HydrophobicContact CH2-CB 4.38Å; W1541-L1549 WeakPolarHBondContact CH2-O 3.48Å; W1541-L1549 HydrophobicContact CZ2-CB 4.44Å; W1541-T1550 HydrophobicContact CZ3-CG2 4.06Å; W1541-Q1554 HydrophobicContact CZ2-CB 4.19Å; W1541-L1555 HydrophobicContact CH2-CB 3.98Å; W1541-L1555 HydrophobicContact CZ3-CB 4.18Å; W1541-L1555 HydrophobicContact CZ3-CD2 4.43Å
1542Q80.9Confident73.1Confident42 Ų4250.8 Ų50.820%0.19626%0.264CS..Hα-helixtrans-59.9-39.7177.1-173.4-176.114.900112.7L1494 L1538 L1539 R1544 G1546 N1547 T1550L1494-Q1542 HydrophobicContact CD1-CB 4.16Å; L1494-Q1542 HydrophobicContact CD1-CG 4.33Å; L1538-Q1542 WeakPolarHBondContact O-CB 3.04Å; L1538-Q1542 PolarHBondContact O-N 3.45Å; L1539-Q1542 CarbonylContact O-C 3.58Å; L1539-Q1542 PolarHBondContact O-N 3.36Å; L1539-Q1542 VanDerWaalsContact O-N 3.11Å; Q1542-R1544 VanDerWaalsContact C-N 3.29Å; Q1542-R1544 PolarHBondContact O-N 3.04Å; Q1542-G1546 VanDerWaalsContact O-CA 3.32Å; Q1542-G1546 WeakPolarHBondContact O-CA 3.24Å; Q1542-G1546 PolarHBondContact O-N 3.19Å; Q1542-N1547 PolarHBondContact NE2-OD1 3Å; Q1542-T1550 HydrophobicContact CG-CG2 4.37Å
1543E77.4Confident72.3Confident136 Ų13652.2 Ų52.264%0.63628%0.275SS*.Hα-helixtrans-66.3-29175.7-74.5-177.2162.700112.7L1539 W1541L1539-E1543 WeakPolarHBondContact O-CB 3.12Å; L1539-E1543 WeakPolarHBondContact O-CG 3.29Å; L1539-E1543 PolarHBondContact O-N 3.33Å; W1541-E1543 VanDerWaalsContact C-N 3.35Å; W1541-E1543 PolarHBondContact O-N 2.88Å
1544R76.9Confident71.6Confident132 Ų13254.5 Ų54.550%0.49829%0.287SS..Hα-helixtrans-84.8-37.5175.7-75.8-178.7176.3167.88.2113.4D1518 L1540 W1541 Q1542D1518-R1544 VanDerWaalsContact CG-NH2 3.34Å; D1518-R1544 IonicContact OD1-CZ 3.67Å; D1518-R1544 IonicContact OD1-NH1 3.93Å; D1518-R1544 IonicContact OD1-NH2 3.2Å; D1518-R1544 PolarHBondContact OD1-NH2 3.3Å; D1518-R1544 IonicContact OD2-CZ 3.54Å; D1518-R1544 IonicContact OD2-NH1 3.58Å; D1518-R1544 PolarHBondContact OD2-NH1 2.98Å; D1518-R1544 IonicContact OD2-NH2 2.71Å; D1518-R1544 PolarHBondContact OD2-NH2 3.2Å; L1540-R1544 WeakPolarHBondContact O-CG 3.41Å; W1541-R1544 PolarHBondContact O-N 2.95Å; W1541-R1544 VanDerWaalsContact O-N 3.1Å; Q1542-R1544 VanDerWaalsContact C-N 3.29Å; Q1542-R1544 PolarHBondContact O-N 3.04Å
1545N72.2Confident71.3Confident63 Ų6354.5 Ų54.534%0.33729%0.287SS..Hα-helixtrans-106.1-14-168.2-75.439.9000113.9W1541 L1549W1541-N1545 PolarHBondContact NE1-ND2 2.98Å; W1541-N1545 VanDerWaalsContact NE1-ND2 3.12Å; W1541-N1545 WeakPolarHBondContact O-CB 3.31Å; W1541-N1545 PolarHBondContact O-N 2.94Å; N1545-L1549 HydrophobicContact CB-CB 4.32Å; N1545-L1549 HydrophobicContact CB-CD1 3.84Å
1546G59.7Low70.8Confident29 Ų2952.3 Ų52.330%0.29928%0.282SS..  trans81.6159.1176.300000115.2Q1542 E1548 L1549Q1542-G1546 VanDerWaalsContact O-CA 3.32Å; Q1542-G1546 WeakPolarHBondContact O-CA 3.24Å; Q1542-G1546 PolarHBondContact O-N 3.19Å; G1546-E1548 PolarHBondContact O-N 2.73Å; G1546-L1549 PolarHBondContact O-N 3.22Å; G1546-L1549 VanDerWaalsContact O-N 3.11Å
1547N58.3Low70.5Confident118 Ų11856 Ų5663%0.63130%0.297SS*.THydrogen-bonded Turntrans-64.5-20.6-176.5-70.8-2000114.1Q1542 L1549 T1550Q1542-N1547 PolarHBondContact NE2-OD1 3Å; N1547-L1549 VanDerWaalsContact C-N 3.31Å; N1547-L1549 PolarHBondContact O-N 3.04Å; N1547-T1550 WeakPolarHBondContact CA-OG1 3.34Å; N1547-T1550 PolarHBondContact O-N 3.42Å; N1547-T1550 PolarHBondContact O-OG1 2.94Å
1548E51.5Low70.2Confident107 Ų10756.4 Ų56.450%0.530%0.3SS..THydrogen-bonded Turntrans-64.9-35.6173.9-68-173.5-155.800111.4V692 Q696 G1546 T1550 S1551V692-E1548 WeakPolarHBondContact CG1-OE1 3.44Å; Q696-E1548 PolarHBondContact NE2-OE2 3.08Å; G1546-E1548 PolarHBondContact O-N 2.73Å; E1548-T1550 VanDerWaalsContact C-N 3.35Å; E1548-T1550 PolarHBondContact O-N 3.28Å; E1548-S1551 WeakPolarHBondContact O-CB 3.34Å; E1548-S1551 PolarHBondContact O-N 2.9Å; E1548-S1551 PolarHBondContact O-OG 3.36Å
1549L54.2Low70Confident51 Ų5156.4 Ų56.427%0.26730%0.3SS..THydrogen-bonded Turntrans-80.4-11.1-178.6-77.4177.5000114.6W1541 N1545 G1546 N1547 S1551 Q1554W1541-L1549 HydrophobicContact CH2-CB 4.38Å; W1541-L1549 WeakPolarHBondContact CH2-O 3.48Å; W1541-L1549 HydrophobicContact CZ2-CB 4.44Å; N1545-L1549 HydrophobicContact CB-CB 4.32Å; N1545-L1549 HydrophobicContact CB-CD1 3.84Å; G1546-L1549 PolarHBondContact O-N 3.22Å; G1546-L1549 VanDerWaalsContact O-N 3.11Å; N1547-L1549 VanDerWaalsContact C-N 3.31Å; N1547-L1549 PolarHBondContact O-N 3.04Å; L1549-S1551 PolarHBondContact O-N 3.26Å; L1549-Q1554 HydrophobicContact CD2-CG 4.05Å
1550T51.2Low69.9Low21 Ų2159.8 Ų59.813%0.12932%0.315CS..THydrogen-bonded Turntrans-70.4-8.7164.2270000113.7L1494 W1541 Q1542 N1547 E1548 G1552L1494-T1550 HydrophobicContact CD1-CG2 3.83Å; L1494-T1550 HydrophobicContact CD2-CG2 3.95Å; L1494-T1550 HydrophobicContact CG-CG2 4.01Å; W1541-T1550 HydrophobicContact CZ3-CG2 4.06Å; Q1542-T1550 HydrophobicContact CG-CG2 4.37Å; N1547-T1550 WeakPolarHBondContact CA-OG1 3.34Å; N1547-T1550 PolarHBondContact O-N 3.42Å; N1547-T1550 PolarHBondContact O-OG1 2.94Å; E1548-T1550 VanDerWaalsContact C-N 3.35Å; E1548-T1550 PolarHBondContact O-N 3.28Å; T1550-G1552 PolarHBondContact O-N 3.45Å
1551S51.1Low69.8Low75 Ų7561.2 Ų61.252%0.52433%0.333SS..SBendtrans-76.581.617669.10000113.3E1548 L1549 T1553E1548-S1551 WeakPolarHBondContact O-CB 3.34Å; E1548-S1551 PolarHBondContact O-N 2.9Å; E1548-S1551 PolarHBondContact O-OG 3.36Å; L1549-S1551 PolarHBondContact O-N 3.26Å; S1551-T1553 PolarHBondContact O-N 2.86Å; S1551-T1553 PolarHBondContact O-OG1 3.44Å
1552G55.9Low69.7Low22 Ų2262.6 Ų62.623%0.22734%0.34CS..SBendtrans65.5-9.8153.400000119.8T1550 A1556T1550-G1552 PolarHBondContact O-N 3.45Å; G1552-A1556 WeakPolarHBondContact O-CB 3.28Å
1553T64.3Low69.6Low71 Ų7163.4 Ų63.444%0.43636%0.36SS..SBendtrans-111.6-74.3-169.549.80000113.8S1551 L1555 A1556 E1557S1551-T1553 PolarHBondContact O-N 2.86Å; S1551-T1553 PolarHBondContact O-OG1 3.44Å; T1553-L1555 PolarHBondContact O-N 2.63Å; T1553-A1556 CarbonylContact O-C 3.53Å; T1553-A1556 WeakPolarHBondContact O-CA 3.17Å; T1553-A1556 WeakPolarHBondContact O-CB 3.46Å; T1553-A1556 PolarHBondContact O-N 3.36Å; T1553-E1557 PolarHBondContact O-N 3.08Å
1554Q72.6Confident69.6Low81 Ų8158.9 Ų58.938%0.37934%0.337SS..Hα-helixtrans-60.5-41.6-176-77.3-169.74.100113.2W1541 L1549 A1556 E1557 A1558W1541-Q1554 HydrophobicContact CZ2-CB 4.19Å; L1549-Q1554 HydrophobicContact CD2-CG 4.05Å; Q1554-A1556 VanDerWaalsContact C-N 3.25Å; Q1554-A1556 PolarHBondContact O-N 2.75Å; Q1554-E1557 PolarHBondContact O-N 3.03Å; Q1554-A1558 WeakPolarHBondContact O-CB 3.32Å; Q1554-A1558 PolarHBondContact O-N 3.18Å
1555L79.5Confident69.7Low0 Ų057.3 Ų57.30%033%0.334CS..Hα-helixtrans-64.5-33.2175.4-176.657000111.5L1492 L1494 V1497 L1508 L1512 L1538 W1541 T1553 L1559L1492-L1555 HydrophobicContact CD1-CD2 4.31Å; L1494-L1555 HydrophobicContact CD2-CD2 3.57Å; V1497-L1555 HydrophobicContact CG1-CD1 4.48Å; V1497-L1555 HydrophobicContact CG1-CD2 4.34Å; V1497-L1555 HydrophobicContact CG2-CD2 4.24Å; L1508-L1555 HydrophobicContact CD2-CD1 4.11Å; L1512-L1555 HydrophobicContact CD1-CD1 4.23Å; L1538-L1555 HydrophobicContact CD2-CD1 3.75Å; W1541-L1555 HydrophobicContact CH2-CB 3.98Å; W1541-L1555 HydrophobicContact CZ3-CB 4.18Å; W1541-L1555 HydrophobicContact CZ3-CD2 4.43Å; T1553-L1555 PolarHBondContact O-N 2.63Å; L1555-L1559 HydrophobicContact CD1-CD1 4.41Å; L1555-L1559 HydrophobicContact CD1-CG 4.36Å; L1555-L1559 HydrophobicContact CG-CD1 4.13Å; L1555-L1559 VanDerWaalsContact O-CB 3.3Å; L1555-L1559 WeakPolarHBondContact O-CB 3.44Å; L1555-L1559 WeakPolarHBondContact O-CG 3.36Å; L1555-L1559 PolarHBondContact O-N 3.24Å
1556A75.1Confident69.9Low16 Ų1658 Ų5813%0.13234%0.337CS..Hα-helixtrans-71.3-43.2175.600000112.5G1552 T1553 Q1554 A1558 L1559 Q1560 L1568G1552-A1556 WeakPolarHBondContact O-CB 3.28Å; T1553-A1556 CarbonylContact O-C 3.53Å; T1553-A1556 WeakPolarHBondContact O-CA 3.17Å; T1553-A1556 WeakPolarHBondContact O-CB 3.46Å; T1553-A1556 PolarHBondContact O-N 3.36Å; Q1554-A1556 VanDerWaalsContact C-N 3.25Å; Q1554-A1556 PolarHBondContact O-N 2.75Å; A1556-A1558 VanDerWaalsContact C-N 3.32Å; A1556-A1558 PolarHBondContact O-N 2.71Å; A1556-L1559 PolarHBondContact O-N 3.11Å; A1556-Q1560 VanDerWaalsContact O-CB 3.26Å; A1556-Q1560 WeakPolarHBondContact O-CB 3.28Å; A1556-Q1560 PolarHBondContact O-N 3.19Å; A1556-L1568 HydrophobicContact CB-CD1 3.7Å; A1556-L1568 HydrophobicContact CB-CD2 3.51Å; A1556-L1568 HydrophobicContact CB-CG 4.24Å
1557E76.6Confident70.9Confident112 Ų11256.6 Ų56.652%0.52332%0.323SS..Hα-helixtrans-60.3-41.8172.9-69.6-175.1160.900111.5T1553 Q1554 Q1560 A1561T1553-E1557 PolarHBondContact O-N 3.08Å; Q1554-E1557 PolarHBondContact O-N 3.03Å; E1557-Q1560 PolarHBondContact O-N 3.39Å; E1557-A1561 VanDerWaalsContact O-CB 3.28Å; E1557-A1561 WeakPolarHBondContact O-CB 3.21Å; E1557-A1561 PolarHBondContact O-N 3.05Å
1558A80.9Confident71.6Confident10 Ų1051.8 Ų51.88%0.08330%0.297CS..Hα-helixtrans-67.9-43.8177.500000112.6L1508 C1511 L1512 Q1554 A1556 Q1560 A1561 I1562L1508-A1558 HydrophobicContact CD1-CB 3.69Å; C1511-A1558 HydrophobicContact CB-CB 4.38Å; L1512-A1558 HydrophobicContact CD2-CB 3.45Å; L1512-A1558 VanDerWaalsContact CD2-CB 3.45Å; L1512-A1558 HydrophobicContact CG-CB 4.1Å; Q1554-A1558 WeakPolarHBondContact O-CB 3.32Å; Q1554-A1558 PolarHBondContact O-N 3.18Å; A1556-A1558 VanDerWaalsContact C-N 3.32Å; A1556-A1558 PolarHBondContact O-N 2.71Å; A1558-Q1560 VanDerWaalsContact C-N 3.33Å; A1558-Q1560 PolarHBondContact O-N 3Å; A1558-A1561 PolarHBondContact O-N 3.19Å; A1558-I1562 PolarHBondContact O-N 3.44Å; A1558-I1562 VanDerWaalsContact O-N 3.09Å
1559L81.8Confident72.5Confident0 Ų053.2 Ų53.20%030%0.304CS..Hα-helixtrans-60-42.8172.5-76.6170.1000111.3V1497 L1501 L1508 L1555 A1556 I1562 G1563 R1564 I1567 L1568V1497-L1559 HydrophobicContact CG1-CD1 4.05Å; V1497-L1559 HydrophobicContact CG1-CD2 4.25Å; L1501-L1559 HydrophobicContact CD1-CD2 4.09Å; L1508-L1559 HydrophobicContact CD1-CD2 4.2Å; L1508-L1559 HydrophobicContact CD1-CG 4.36Å; L1508-L1559 HydrophobicContact CD2-CD2 4.2Å; L1555-L1559 HydrophobicContact CD1-CD1 4.41Å; L1555-L1559 HydrophobicContact CD1-CG 4.36Å; L1555-L1559 HydrophobicContact CG-CD1 4.13Å; L1555-L1559 VanDerWaalsContact O-CB 3.3Å; L1555-L1559 WeakPolarHBondContact O-CB 3.44Å; L1555-L1559 WeakPolarHBondContact O-CG 3.36Å; L1555-L1559 PolarHBondContact O-N 3.24Å; A1556-L1559 PolarHBondContact O-N 3.11Å; L1559-I1562 HydrophobicContact CD2-CD1 4.45Å; L1559-I1562 VanDerWaalsContact O-CG1 3.24Å; L1559-I1562 WeakPolarHBondContact O-CG1 3.48Å; L1559-I1562 PolarHBondContact O-N 3.14Å; L1559-G1563 PolarHBondContact O-N 3.26Å; L1559-R1564 HydrophobicContact CD2-CB 4.12Å; L1559-R1564 CarbonylContact O-C 3.55Å; L1559-R1564 WeakPolarHBondContact O-CA 3.46Å; L1559-R1564 PolarHBondContact O-N 2.93Å; L1559-I1567 HydrophobicContact CD1-CB 4.36Å; L1559-I1567 HydrophobicContact CD1-CG2 4.14Å; L1559-I1567 HydrophobicContact CD2-CB 4.19Å; L1559-I1567 HydrophobicContact CD2-CD1 3.94Å; L1559-I1567 HydrophobicContact CD2-CG2 4.27Å; L1559-L1568 HydrophobicContact CB-CD1 4.29Å; L1559-L1568 HydrophobicContact CB-CG 4.31Å; L1559-L1568 HydrophobicContact CD1-CD2 3.92Å; L1559-L1568 HydrophobicContact CD1-CG 3.99Å
1560Q81Confident73.2Confident121 Ų12156.5 Ų56.557%0.56531%0.314SS*.Hα-helixtrans-66.6-36.9175.7-172.2172.1-3.200112.3A1556 E1557 A1558 G1563A1556-Q1560 VanDerWaalsContact O-CB 3.26Å; A1556-Q1560 WeakPolarHBondContact O-CB 3.28Å; A1556-Q1560 PolarHBondContact O-N 3.19Å; E1557-Q1560 PolarHBondContact O-N 3.39Å; A1558-Q1560 VanDerWaalsContact C-N 3.33Å; A1558-Q1560 PolarHBondContact O-N 3Å; Q1560-G1563 PolarHBondContact O-N 3.24Å; Q1560-G1563 VanDerWaalsContact O-N 3.08Å
1561A80.5Confident73.9Confident74 Ų7455.5 Ų55.561%0.61231%0.307SS*.Hα-helixtrans-66.4-35177.900000113.2E1557 A1558 G1563E1557-A1561 VanDerWaalsContact O-CB 3.28Å; E1557-A1561 WeakPolarHBondContact O-CB 3.21Å; E1557-A1561 PolarHBondContact O-N 3.05Å; A1558-A1561 PolarHBondContact O-N 3.19Å; A1561-G1563 PolarHBondContact O-N 3.26Å
1562I81.9Confident74.3Confident33 Ų3356.3 Ų56.317%0.16930%0.304CS..THydrogen-bonded Turntrans-82.10.4172.168.8164.8000113.5L1501 I1507 L1508 C1511 A1558 L1559 R1564L1501-I1562 HydrophobicContact CD1-CD1 3.65Å; I1507-I1562 HydrophobicContact CB-CG2 4.11Å; I1507-I1562 HydrophobicContact CG2-CB 4.25Å; I1507-I1562 HydrophobicContact CG2-CG2 3.62Å; L1508-I1562 HydrophobicContact CB-CD1 4.03Å; L1508-I1562 HydrophobicContact CD1-CD1 3.89Å; L1508-I1562 HydrophobicContact CD1-CG1 4.3Å; L1508-I1562 HydrophobicContact CD1-CG2 4.42Å; L1508-I1562 HydrophobicContact CG-CD1 4.47Å; C1511-I1562 HydrophobicContact CB-CG2 4.33Å; A1558-I1562 PolarHBondContact O-N 3.44Å; A1558-I1562 VanDerWaalsContact O-N 3.09Å; L1559-I1562 HydrophobicContact CD2-CD1 4.45Å; L1559-I1562 VanDerWaalsContact O-CG1 3.24Å; L1559-I1562 WeakPolarHBondContact O-CG1 3.48Å; L1559-I1562 PolarHBondContact O-N 3.14Å; I1562-R1564 VanDerWaalsContact C-N 3.35Å; I1562-R1564 HydrophobicContact CD1-CB 3.85Å; I1562-R1564 HydrophobicContact CD1-CG 3.52Å; I1562-R1564 HydrophobicContact CG1-CB 3.8Å; I1562-R1564 HydrophobicContact CG1-CG 3.78Å
1563G78.7Confident73.9Confident59 Ų5958.5 Ų58.561%0.60831%0.313SS*.THydrogen-bonded Turntrans82.25.3-178.500000115.2L1559 Q1560 A1561 K1565L1559-G1563 PolarHBondContact O-N 3.26Å; Q1560-G1563 PolarHBondContact O-N 3.24Å; Q1560-G1563 VanDerWaalsContact O-N 3.08Å; A1561-G1563 PolarHBondContact O-N 3.26Å; G1563-K1565 VanDerWaalsContact C-N 3.31Å; G1563-K1565 PolarHBondContact O-N 3.01Å
1564R77.8Confident72.9Confident42 Ų4257.8 Ų57.816%0.15831%0.307CS..  trans-8950.9-178.4-70.2-59.8-151.6107.116.4113.5H1500 L1501 D1504 L1559 I1562 D1566 I1567H1500-R1564 PolarHBondContact O-NH1 2.96Å; H1500-R1564 PolarHBondContact O-NH2 3.13Å; L1501-R1564 PolarHBondContact O-NH2 2.91Å; D1504-R1564 IonicContact OD2-CZ 3.4Å; D1504-R1564 VanDerWaalsContact OD2-CZ 3.22Å; D1504-R1564 IonicContact OD2-NE 2.69Å; D1504-R1564 PolarHBondContact OD2-NE 2.84Å; D1504-R1564 IonicContact OD2-NH2 2.74Å; D1504-R1564 PolarHBondContact OD2-NH2 2.85Å; L1559-R1564 HydrophobicContact CD2-CB 4.12Å; L1559-R1564 CarbonylContact O-C 3.55Å; L1559-R1564 WeakPolarHBondContact O-CA 3.46Å; L1559-R1564 PolarHBondContact O-N 2.93Å; I1562-R1564 VanDerWaalsContact C-N 3.35Å; I1562-R1564 HydrophobicContact CD1-CB 3.85Å; I1562-R1564 HydrophobicContact CD1-CG 3.52Å; I1562-R1564 HydrophobicContact CG1-CB 3.8Å; I1562-R1564 HydrophobicContact CG1-CG 3.78Å; R1564-D1566 WeakPolarHBondContact CA-OD1 3.14Å; R1564-D1566 WeakPolarHBondContact CD-OD1 3.38Å; R1564-D1566 IonicContact NH1-OD2 2.74Å; R1564-D1566 PolarHBondContact O-N 3.48Å; R1564-I1567 HydrophobicContact CB-CD1 3.85Å; R1564-I1567 HydrophobicContact CB-CG1 4.01Å; R1564-I1567 HydrophobicContact CG-CD1 4.11Å; R1564-I1567 PolarHBondContact O-N 3.12Å
1565K78.3Confident71.7Confident98 Ų9857.8 Ų57.843%0.42631%0.309SS..Hα-helixtrans-68.9-23.9175.2-169.9-179.2-177.3-57.80112.4G1563 I1567 L1568 E1569G1563-K1565 VanDerWaalsContact C-N 3.31Å; G1563-K1565 PolarHBondContact O-N 3.01Å; K1565-I1567 PolarHBondContact O-N 3.29Å; K1565-L1568 PolarHBondContact O-N 3.03Å; K1565-L1568 VanDerWaalsContact O-N 3.14Å; K1565-E1569 IonicContact NZ-OE1 2.73Å; K1565-E1569 PolarHBondContact NZ-OE1 3.49Å; K1565-E1569 PolarHBondContact O-N 3.38Å; K1565-E1569 VanDerWaalsContact O-N 3.15Å
1566D78Confident69.9Low77 Ų7760.3 Ų60.341%0.41233%0.326SS..Hα-helixtrans-52.2-40.5169.659.1-38.3000112.3R1564 L1568 E1569 Y1570R1564-D1566 WeakPolarHBondContact CA-OD1 3.14Å; R1564-D1566 WeakPolarHBondContact CD-OD1 3.38Å; R1564-D1566 IonicContact NH1-OD2 2.74Å; R1564-D1566 PolarHBondContact O-N 3.48Å; D1566-L1568 VanDerWaalsContact C-N 3.32Å; D1566-L1568 PolarHBondContact O-N 3.21Å; D1566-E1569 PolarHBondContact O-N 3.48Å; D1566-Y1570 PolarHBondContact O-N 3.34Å; D1566-Y1570 VanDerWaalsContact O-N 3.09Å
1567I80.2Confident68.4Low0 Ų063.3 Ų63.30%034%0.344CS..Hα-helixtrans-66.4-34.7179.6-54.7-172.7000111.5V1497 H1500 L1501 L1559 R1564 K1565 Y1570 C1571V1497-I1567 HydrophobicContact CB-CG2 4.38Å; V1497-I1567 HydrophobicContact CG1-CG2 4.1Å; V1497-I1567 HydrophobicContact CG2-CG2 4.39Å; H1500-I1567 HydrophobicContact CB-CB 4.49Å; H1500-I1567 HydrophobicContact CB-CD1 3.91Å; H1500-I1567 HydrophobicContact CB-CG1 3.74Å; H1500-I1567 HydrophobicContact CB-CG2 4.27Å; L1501-I1567 HydrophobicContact CB-CD1 4.04Å; L1501-I1567 HydrophobicContact CD1-CD1 3.85Å; L1559-I1567 HydrophobicContact CD1-CB 4.36Å; L1559-I1567 HydrophobicContact CD1-CG2 4.14Å; L1559-I1567 HydrophobicContact CD2-CB 4.19Å; L1559-I1567 HydrophobicContact CD2-CD1 3.94Å; L1559-I1567 HydrophobicContact CD2-CG2 4.27Å; R1564-I1567 HydrophobicContact CB-CD1 3.85Å; R1564-I1567 HydrophobicContact CB-CG1 4.01Å; R1564-I1567 HydrophobicContact CG-CD1 4.11Å; R1564-I1567 PolarHBondContact O-N 3.12Å; K1565-I1567 PolarHBondContact O-N 3.29Å; I1567-Y1570 PolarHBondContact O-N 3.5Å; I1567-C1571 WeakPolarHBondContact O-CB 3.38Å; I1567-C1571 PolarHBondContact O-N 3.08Å; I1567-C1571 PolarHBondContact O-SG 2.92Å; I1567-C1571 VanDerWaalsContact O-SG 3.34Å
1568L73.2Confident67.1Low18 Ų1859 Ų599%0.09433%0.325CS..Hα-helixtrans-70.7-39175-70.2165.7000112.2L1492 A1556 L1559 K1565 D1566 Y1570 M1572L1492-L1568 HydrophobicContact CD1-CD2 4.15Å; L1492-L1568 HydrophobicContact CD2-CD2 4.29Å; A1556-L1568 HydrophobicContact CB-CD1 3.7Å; A1556-L1568 HydrophobicContact CB-CD2 3.51Å; A1556-L1568 HydrophobicContact CB-CG 4.24Å; L1559-L1568 HydrophobicContact CB-CD1 4.29Å; L1559-L1568 HydrophobicContact CB-CG 4.31Å; L1559-L1568 HydrophobicContact CD1-CD2 3.92Å; L1559-L1568 HydrophobicContact CD1-CG 3.99Å; K1565-L1568 PolarHBondContact O-N 3.03Å; K1565-L1568 VanDerWaalsContact O-N 3.14Å; D1566-L1568 VanDerWaalsContact C-N 3.32Å; D1566-L1568 PolarHBondContact O-N 3.21Å; L1568-Y1570 PolarHBondContact O-N 2.91Å; L1568-M1572 VanDerWaalsContact O-CG 3.28Å; L1568-M1572 WeakPolarHBondContact O-CG 3.33Å
1569E70.3Confident65.2Low137 Ų13765.8 Ų65.864%0.6436%0.359SS*.Hα-helixtrans-67.5-19.1176.2-69.5173.9-164.500112.3K1565 D1566K1565-E1569 IonicContact NZ-OE1 2.73Å; K1565-E1569 PolarHBondContact NZ-OE1 3.49Å; K1565-E1569 PolarHBondContact O-N 3.38Å; K1565-E1569 VanDerWaalsContact O-N 3.15Å; D1566-E1569 PolarHBondContact O-N 3.48Å
1570Y68.9Low63.5Low119 Ų11967.1 Ų67.147%0.46737%0.367SS..Hα-helixtrans-99.7-37.8177.1-111-67.3000115.7E1433 D1566 I1567 L1568E1433-Y1570 HydrophobicContact CG-CE1 3.97Å; E1433-Y1570 HydrophobicContact CG-CE2 4.29Å; E1433-Y1570 WeakPolarHBondContact CG-OH 3.48Å; E1433-Y1570 WeakPolarHBondContact OE1-CD1 3.49Å; E1433-Y1570 WeakPolarHBondContact OE1-CE1 3.34Å; E1433-Y1570 WeakPolarHBondContact OE2-CE1 3.32Å; D1566-Y1570 PolarHBondContact O-N 3.34Å; D1566-Y1570 VanDerWaalsContact O-N 3.09Å; I1567-Y1570 PolarHBondContact O-N 3.5Å; L1568-Y1570 PolarHBondContact O-N 2.91Å
1571C66.5Low62.1Low0 Ų064 Ų640%036%0.361CS..Hα-helixtrans-86.91.2-176.3-61.30000114.5L1492 Q1496 V1497 H1500 I1567 T1573L1492-C1571 HydrophobicContact CD2-CB 3.74Å; Q1496-C1571 VanDerWaalsContact C-SG 3.52Å; V1497-C1571 HydrophobicContact CG2-CB 4.16Å; H1500-C1571 VanDerWaalsContact CD2-SG 3.57Å; I1567-C1571 WeakPolarHBondContact O-CB 3.38Å; I1567-C1571 PolarHBondContact O-N 3.08Å; I1567-C1571 PolarHBondContact O-SG 2.92Å; I1567-C1571 VanDerWaalsContact O-SG 3.34Å; C1571-T1573 VanDerWaalsContact C-N 3.34Å; C1571-T1573 PolarHBondContact O-N 3.44Å
1572M59Low60.9Low93 Ų9362.3 Ų62.346%0.45834%0.343SS..EExtended strand (participates in β ladder)trans-7778.1178.5-88-176.1142.700112.8S1490 L1568S1490-M1572 WeakPolarHBondContact OG-CE 3.37Å; L1568-M1572 VanDerWaalsContact O-CG 3.28Å; L1568-M1572 WeakPolarHBondContact O-CG 3.33Å
1573T47.8Very low59.5Low68 Ų6863.4 Ų63.442%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-95.9167.9164.746.50000111.9C1571 I1575C1571-T1573 VanDerWaalsContact C-N 3.34Å; C1571-T1573 PolarHBondContact O-N 3.44Å; T1573-I1575 PolarHBondContact O-N 3.09Å
1574N42Very low58.4Low56 Ų5665.5 Ų65.530%0.29934%0.336SS..EExtended strand (participates in β ladder)trans49.155.6-178.5-75.5-2.7000114.2K1489 E1491 S1576K1489-N1574 VanDerWaalsContact O-O 3.11Å; E1491-N1574 PolarHBondContact OE2-ND2 2.91Å; N1574-S1576 PolarHBondContact O-N 3.22Å
1575I48.4Very low57.5Low81 Ų8166.6 Ų66.642%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-67.497.4167.6-68.1170.8000108.7Y1454 A1488 K1489 T1573Y1454-I1575 VanDerWaalsContact CE2-O 3.25Å; Y1454-I1575 WeakPolarHBondContact CE2-O 3.41Å; A1488-I1575 HydrophobicContact CB-CG2 3.9Å; K1489-I1575 WeakPolarHBondContact O-CA 3.46Å; T1573-I1575 PolarHBondContact O-N 3.09Å
1576S41.8Very low56.5Low52 Ų5265.7 Ų65.736%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-91.9130.4167.242.20000109.1K1489 N1574K1489-S1576 VanDerWaalsContact CB-OG 3.28Å; K1489-S1576 WeakPolarHBondContact CB-OG 3.5Å; K1489-S1576 PolarHBondContact N-O 3.39Å; K1489-S1576 PolarHBondContact O-N 3.11Å; N1574-S1576 PolarHBondContact O-N 3.22Å
1577P41.9Very low55.1Low79 Ų7963.5 Ų63.551%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-65.2143.4174.228.9-33.6000109.2I1579P1577-I1579 WeakPolarHBondContact O-CG1 3.06Å; P1577-I1579 PolarHBondContact O-N 2.93Å
1578V49.7Very low53.7Low22 Ų2267.1 Ų67.113%0.13336%0.362CS..  trans-71.796.2173.31720000109.1L1487 K1489 E1583 R1584L1487-V1578 HydrophobicContact CB-CB 4.01Å; L1487-V1578 HydrophobicContact CB-CG2 3.9Å; L1487-V1578 WeakPolarHBondContact O-CB 3.31Å; L1487-V1578 WeakPolarHBondContact O-CG2 3.49Å; L1487-V1578 PolarHBondContact O-N 2.77Å; K1489-V1578 HydrophobicContact CG-CG2 4.47Å; V1578-E1583 HydrophobicContact CG1-CB 3.49Å; V1578-E1583 VanDerWaalsContact CG1-CB 3.49Å; V1578-R1584 HydrophobicContact CG1-CB 3.99Å; V1578-R1584 VanDerWaalsContact CG1-N 3.28Å
1579I42.3Very low52.7Low152 Ų15273.7 Ų73.778%0.77939%0.385SS*.  trans-77.9-32-170.7-27.2178.4000112P1577P1577-I1579 WeakPolarHBondContact O-CG1 3.06Å; P1577-I1579 PolarHBondContact O-N 2.93Å
1580T45.3Very low51.9Low29 Ų2970.7 Ų70.718%0.17838%0.379CS..SBendtrans-99147-172.565.20000112.7D660 D1582 E1583 R1584D660-T1580 WeakPolarHBondContact OD2-CG2 3.27Å; T1580-D1582 PolarHBondContact O-N 3.47Å; T1580-E1583 PolarHBondContact O-N 3.49Å; T1580-E1583 WeakPolarHBondContact OG1-CB 3.43Å; T1580-E1583 VanDerWaalsContact OG1-CG 3.23Å; T1580-E1583 WeakPolarHBondContact OG1-CG 3.24Å; T1580-R1584 PolarHBondContact O-N 3.48Å; T1580-R1584 VanDerWaalsContact O-N 3.1Å
1581A52.7Low50.6Low54 Ų5470.9 Ų70.945%0.44639%0.388SS..Hα-helixtrans-64.7-37.3-177.600000112.8R1584 V1585A1581-R1584 PolarHBondContact O-N 2.83Å; A1581-V1585 WeakPolarHBondContact O-CG2 3.25Å; A1581-V1585 PolarHBondContact O-N 2.91Å
1582D53.9Low49.4Very low40 Ų4077.4 Ų77.421%0.21442%0.423CS..Hα-helixtrans-70.5-36.2-178-72.613.8000111.8S663 Q667 T1580 V1585 T1586S663-D1582 WeakPolarHBondContact CB-OD2 3.4Å; S663-D1582 PolarHBondContact OG-OD2 2.84Å; Q667-D1582 PolarHBondContact NE2-OD1 3.46Å; T1580-D1582 PolarHBondContact O-N 3.47Å; D1582-V1585 PolarHBondContact O-N 3.3Å; D1582-T1586 WeakPolarHBondContact O-CB 3.35Å; D1582-T1586 PolarHBondContact O-N 3.48Å; D1582-T1586 PolarHBondContact O-OG1 3.04Å
1583E53.4Low48.6Very low56 Ų5676.5 Ų76.526%0.26243%0.43SS..Hα-helixtrans-68.4-40.2171.8-70.7-176.917600111.4K1489 V1578 T1580 V1585 T1586 A1587K1489-E1583 WeakPolarHBondContact CE-OE1 3.2Å; K1489-E1583 WeakPolarHBondContact CE-OE2 3.49Å; K1489-E1583 IonicContact NZ-OE1 3.64Å; K1489-E1583 PolarHBondContact NZ-OE1 3.18Å; K1489-E1583 IonicContact NZ-OE2 3.07Å; K1489-E1583 PolarHBondContact NZ-OE2 3.41Å; V1578-E1583 HydrophobicContact CG1-CB 3.49Å; V1578-E1583 VanDerWaalsContact CG1-CB 3.49Å; T1580-E1583 PolarHBondContact O-N 3.49Å; T1580-E1583 WeakPolarHBondContact OG1-CB 3.43Å; T1580-E1583 VanDerWaalsContact OG1-CG 3.23Å; T1580-E1583 WeakPolarHBondContact OG1-CG 3.24Å; E1583-V1585 VanDerWaalsContact C-N 3.33Å; E1583-V1585 PolarHBondContact O-N 2.89Å; E1583-T1586 PolarHBondContact O-N 3.28Å; E1583-T1586 VanDerWaalsContact O-N 3.16Å; E1583-A1587 PolarHBondContact O-N 3.22Å
1584R55.6Low48.1Very low102 Ų10278.1 Ų78.139%0.38544%0.44SS..Hα-helixtrans-60.7-43.8173.9-167179.1-178.8130-7110.6D1484 L1487 V1578 T1580 A1581 L1588D1484-R1584 IonicContact OD2-CZ 2.73Å; D1484-R1584 IonicContact OD2-NH2 3.22Å; D1484-R1584 PolarHBondContact OD2-NH2 3.14Å; L1487-R1584 HydrophobicContact CD1-CG 4.11Å; V1578-R1584 HydrophobicContact CG1-CB 3.99Å; V1578-R1584 VanDerWaalsContact CG1-N 3.28Å; T1580-R1584 PolarHBondContact O-N 3.48Å; T1580-R1584 VanDerWaalsContact O-N 3.1Å; A1581-R1584 PolarHBondContact O-N 2.83Å; R1584-L1588 HydrophobicContact CG-CD1 4.18Å; R1584-L1588 WeakPolarHBondContact O-CB 3.31Å; R1584-L1588 WeakPolarHBondContact O-CD1 3.49Å; R1584-L1588 WeakPolarHBondContact O-CG 3.17Å; R1584-L1588 PolarHBondContact O-N 3.02Å
1585V58.5Low47.6Very low66 Ų6681.2 Ų81.240%0.447%0.466SS..Hα-helixtrans-63.6-38.8174.4166.90000111.9A1581 D1582 E1583 R1589A1581-V1585 WeakPolarHBondContact O-CG2 3.25Å; A1581-V1585 PolarHBondContact O-N 2.91Å; D1582-V1585 PolarHBondContact O-N 3.3Å; E1583-V1585 VanDerWaalsContact C-N 3.33Å; E1583-V1585 PolarHBondContact O-N 2.89Å; V1585-R1589 WeakPolarHBondContact O-CG 3.33Å; V1585-R1589 PolarHBondContact O-N 2.96Å
1586T56.6Low46.7Very low79 Ų7982.6 Ų82.649%0.48548%0.48SS..Hα-helixtrans-70.1-48.1-178.7-60.30000111.5D1582 E1583 L1588 R1589 S1590D1582-T1586 WeakPolarHBondContact O-CB 3.35Å; D1582-T1586 PolarHBondContact O-N 3.48Å; D1582-T1586 PolarHBondContact O-OG1 3.04Å; E1583-T1586 PolarHBondContact O-N 3.28Å; E1583-T1586 VanDerWaalsContact O-N 3.16Å; T1586-L1588 PolarHBondContact O-N 2.86Å; T1586-R1589 WeakPolarHBondContact O-CB 3.25Å; T1586-R1589 PolarHBondContact O-N 3.14Å; T1586-R1589 VanDerWaalsContact O-N 3.09Å; T1586-S1590 PolarHBondContact O-N 3.02Å; T1586-S1590 PolarHBondContact O-OG 3.37Å
1587A48.3Very low46.1Very low30 Ų3087.3 Ų87.325%0.24850%0.501CS..Hα-helixtrans-69.1-31.8176.900000112.7L1487 E1583 R1589 S1590 L1591L1487-A1587 HydrophobicContact CD1-CB 3.87Å; L1487-A1587 HydrophobicContact CD2-CB 3.65Å; L1487-A1587 HydrophobicContact CG-CB 4.29Å; E1583-A1587 PolarHBondContact O-N 3.22Å; A1587-R1589 VanDerWaalsContact C-N 3.31Å; A1587-R1589 PolarHBondContact O-N 3.2Å; A1587-S1590 PolarHBondContact O-N 2.88Å; A1587-L1591 PolarHBondContact O-N 3.38Å
1588L50.9Low45.5Very low76 Ų7691.5 Ų91.540%0.39852%0.518SS..Hα-helixtrans-63.7-32.1168.5-77.4171.8000112.9L1487 R1584 T1586 N1592L1487-L1588 HydrophobicContact CD1-CD2 4.2Å; L1487-L1588 HydrophobicContact CD1-CG 3.87Å; R1584-L1588 HydrophobicContact CG-CD1 4.18Å; R1584-L1588 WeakPolarHBondContact O-CB 3.31Å; R1584-L1588 WeakPolarHBondContact O-CD1 3.49Å; R1584-L1588 WeakPolarHBondContact O-CG 3.17Å; R1584-L1588 PolarHBondContact O-N 3.02Å; T1586-L1588 PolarHBondContact O-N 2.86Å; L1588-N1592 PolarHBondContact O-N 2.97Å; L1588-N1592 PolarHBondContact O-ND2 3.46Å
1589R52.7Low44.5Very low157 Ų15796.8 Ų96.859%0.59255%0.546SS*.Hα-helixtrans-67.4-44.1173.2-75170.8-174.1163.44.5111.3V1585 T1586 A1587 N1592V1585-R1589 WeakPolarHBondContact O-CG 3.33Å; V1585-R1589 PolarHBondContact O-N 2.96Å; T1586-R1589 WeakPolarHBondContact O-CB 3.25Å; T1586-R1589 PolarHBondContact O-N 3.14Å; T1586-R1589 VanDerWaalsContact O-N 3.09Å; A1587-R1589 VanDerWaalsContact C-N 3.31Å; A1587-R1589 PolarHBondContact O-N 3.2Å; R1589-N1592 PolarHBondContact O-N 3.24Å
1590S52.8Low43.9Very low73 Ų7394.6 Ų94.651%0.5154%0.539SS..Hα-helixtrans-62.8-45.8178.2-570000112.3T1586 A1587 N1592 A1593T1586-S1590 PolarHBondContact O-N 3.02Å; T1586-S1590 PolarHBondContact O-OG 3.37Å; A1587-S1590 PolarHBondContact O-N 2.88Å; S1590-N1592 PolarHBondContact O-N 3.21Å; S1590-A1593 WeakPolarHBondContact O-CB 3.48Å; S1590-A1593 PolarHBondContact O-N 2.93Å; S1590-A1593 VanDerWaalsContact O-N 3.08Å
1591L43.4Very low43.1Very low124 Ų12499.7 Ų99.765%0.64957%0.565SS**Hα-helixtrans-59.9-26.8177-87.6166.3000114.3L1487 A1587L1487-L1591 HydrophobicContact CD2-CD1 3.76Å; A1587-L1591 PolarHBondContact O-N 3.38Å
1592N40.7Very low41.9Very low136 Ų136106.6 Ų106.673%0.72758%0.58SS**THydrogen-bonded Turntrans-88.6-1.1178.9-80.7-79.3000113.9L1588 R1589 S1590L1588-N1592 PolarHBondContact O-N 2.97Å; L1588-N1592 PolarHBondContact O-ND2 3.46Å; R1589-N1592 PolarHBondContact O-N 3.24Å; S1590-N1592 PolarHBondContact O-N 3.21Å
1593A42.2Very low40.8Very low75 Ų75111.7 Ų111.762%0.6260%0.602SS**THydrogen-bonded Turntrans-87.3-30.8-170.800000115.1S1590S1590-A1593 WeakPolarHBondContact O-CB 3.48Å; S1590-A1593 PolarHBondContact O-N 2.93Å; S1590-A1593 VanDerWaalsContact O-N 3.08Å
1594V36.9Very low39.5Very low101 Ų101113.1 Ų113.161%0.61262%0.619SS**  trans-13487.5-166.9-168.70000113.5
1595S30.8Very low38.2Very low121 Ų121119.2 Ų119.285%0.84664%0.642SS**  trans-157.6135.2150.1-880000111.4
1596P30.7Very low36.6Very low110 Ų110119.7 Ų119.771%0.71465%0.648SS**  trans-112150.2-151.59.314.3000115.8
1597N28.5Very low35.3Very low151 Ų151124.5 Ų124.581%0.80767%0.665SS**  trans53.979.3147.3-63.8-38.7000119.4
1598L28.7Very low34.2Very low168 Ų168127.5 Ų127.588%0.8868%0.684SS**  trans-174.8141.9140.2-91.9135.2000108.9
1599N29.9Very low33.2Very low133 Ų133131.9 Ų131.971%0.71170%0.7SS**  cis176.9150.6-23.6-140.6-18.5000105.2
1600V29.4Very low32Very low105 Ų105130.5 Ų130.564%0.63670%0.704SS**  trans65.7100.9152.91800000119
1601N28.2Very low30.8Very low136 Ų136131 Ų13173%0.72772%0.72SS**  trans57.6138.4131.8-52.5-18.1000119.4
1602R28.9Very low30Very low200 Ų200129 Ų12976%0.75573%0.73SS**  cis-171.9146.949.3-149152.5-174.8166.74.8114.5
1603E29.4Very low29.4Very low146 Ų146126.6 Ų126.668%0.68274%0.738SS**  trans23.6146142.7-59.5163.6-137.900121.5
1604S26.5Very low28.7Very low87 Ų87126.4 Ų126.461%0.60874%0.743SS**  cis-178.7175.6-10.956.40000110.2
1605R28.7Very low28.1Very low229 Ų229129.6 Ų129.686%0.86476%0.756SS**  trans80.1149.5163.9-62.3172.1-174-173.90.6118.1
1606S25Very low27.8Very low77 Ų77128.9 Ų128.954%0.53875%0.751SS.*  cis178141-3649.10000109
1607H29.6Very low27.5Very low179 Ų179131.6 Ų131.683%0.82975%0.754SS**  trans68.4150.4165.8-49.4-52.2000116.2
1608S25.3Very low27.4Very low93 Ų93129.3 Ų129.365%0.6575%0.749SS**  cis-170.2167.4-23.455.10000110.4
1609K28.4Very low27.2Very low168 Ų168126.6 Ų126.673%0.7374%0.74SS**  trans78.9128.3150.2-80.3175.4152.3-86.50120.3
1610D27.5Very low27Very low129 Ų129126.5 Ų126.569%0.6974%0.739SS**  64.478.1125.1-46.5-12.2000119.7
1611G27.4Very low26.9Very low82 Ų82128.1 Ų128.185%0.84575%0.75SS**  83.8167.8110.400000120.5
1612G27.6Very low26.9Very low82 Ų82124.5 Ų124.585%0.84574%0.744SS**  trans91.499.4171.700000114.2
1613G27Very low26.8Very low87 Ų87126.4 Ų126.490%0.89775%0.753SS**  trans-79179.1166.700000112.2
1614G27.4Very low26.8Very low71 Ų71122.4 Ų122.473%0.73275%0.751SS**  trans152.889.7177.600000112.7
1615L25.7Very low26.8Very low168 Ų168124.3 Ų124.388%0.8876%0.759SS**  trans19.7151.2132.4-62.9165000119.8
1616S23.8Very low26.7Very low106 Ų106121.5 Ų121.574%0.74176%0.756SS**  trans73.8147.8169.982.50000114.9
1617E25.5Very low27Very low167 Ų167125.1 Ų125.178%0.7877%0.774SS**  cis-164.4142.4-13-122170.4173.800110.2
1618S24.6Very low27Very low102 Ų102119.7 Ų119.771%0.71377%0.767SS**  trans69.2170138.781.50000122.4
1619V26.3Very low27.1Very low112 Ų112121.1 Ų121.168%0.67978%0.777SS**  trans79.487.6150.81740000119.5
1620D25.1Very low27.2Very low131 Ų131118.5 Ų118.570%0.70178%0.775SS**  72.7152.8114.7-53-16.7000124.8
1621T26.5Very low27.3Very low139 Ų139117.5 Ų117.585%0.85377%0.774SS**  trans76.8137.7162.672.20000117.8
1622G28Very low27.3Very low59 Ų59116.4 Ų116.461%0.60875%0.748SS**  cis160.5164.4-8.700000113.4
1623Y28.2Very low27.3Very low241 Ų241117.1 Ų117.195%0.94573%0.732SS**  trans66.5145.3176.3-46-89.1000115.6
1624G29Very low27.5Very low62 Ų62117 Ų11764%0.63972%0.715SS**  cis170.6166-1000000114.4
1625T25.9Very low27.3Very low127 Ų127118.4 Ų118.478%0.77971%0.71SS**  trans65.8112.6155.250.20000123.6
1626Q26.8Very low27.4Very low170 Ų170116.4 Ų116.479%0.79471%0.705SS**  86.9133.4127.1-65.7175.88.700123
1627T30.5Very low27.7Very low152 Ų152115.3 Ų115.393%0.93370%0.695SS**  trans66.6146.3167.264.80000118.1
1628G30.2Very low27.7Very low65 Ų65110.6 Ų110.667%0.6768%0.678SS**  cis166.2132.5-11.100000113.8
1629S28.6Very low27.7Very low123 Ų123112.1 Ų112.186%0.8668%0.677SS**  trans66.4152.3-178.8-50.70000114.9
1630T29.7Very low27.7Very low113 Ų113111.9 Ų111.969%0.69368%0.675SS**  cis-144.7165.59.8-360000108.5
1631T28.6Very low27.9Very low109 Ų109114.1 Ų114.167%0.66968%0.679SS**  trans64.5132151.7390000118.7
1632L28Very low28Very low58 Ų58113.5 Ų113.530%0.30468%0.675SS.*  cis-136-150.7-5-61.1104000110N1459 N1461N1459-L1632 HydrophobicContact CB-CB 3.99Å; N1459-L1632 HydrophobicContact CB-CD1 3.36Å; N1459-L1632 HydrophobicContact CB-CG 4.17Å; N1459-L1632 WeakPolarHBondContact O-CD1 3.25Å; N1459-L1632 WeakPolarHBondContact O-CD2 3.37Å; N1461-L1632 HydrophobicContact CB-CB 3.62Å; N1461-L1632 HydrophobicContact CB-CD2 3.7Å; N1461-L1632 HydrophobicContact CB-CG 3.99Å
1633I27.2Very low27.7Very low97 Ų97118.9 Ų118.950%0.49769%0.686SS.*  trans-143.6128.3-164-57.7175.3000118.3Q1460 N1461Q1460-I1633 PolarHBondContact O-N 2.68Å; Q1460-I1633 VanDerWaalsContact O-O 3.12Å; Q1460-I1633 PolarHBondContact OE1-O 3.19Å; Q1460-I1633 VanDerWaalsContact OE1-O 3.04Å; N1461-I1633 HydrophobicContact CB-CD1 4.41Å; N1461-I1633 HydrophobicContact CB-CG1 4.22Å; N1461-I1633 VanDerWaalsContact ND2-CD1 3.33Å; N1461-I1633 WeakPolarHBondContact ND2-CD1 3.46Å
1634P31.8Very low27.4Very low85 Ų85112 Ų11255%0.55267%0.673SS**  trans-114.6166.9143.733.9-23.3000112.6Q1460Q1460-P1634 VanDerWaalsContact OE1-CB 3.3Å
1635T24.3Very low27.2Very low100 Ų100113.7 Ų113.761%0.61368%0.676SS**  cis82.7110.717.271.10000116.3
1636T27.1Very low26.9Very low126 Ų126113.6 Ų113.677%0.77368%0.675SS**  cis-39.7147.24.850.40000114.8D1095D1095-T1636 WeakPolarHBondContact OD2-CA 3.13Å
1637P29.8Very low26.8Very low84 Ų84109.7 Ų109.755%0.54566%0.659SS.*  cis-145.3170.136.142.9-24.4000118.6D1095D1095-P1637 VanDerWaalsContact OD2-C 3.3Å; D1095-P1637 VanDerWaalsContact OD2-CA 3.31Å; D1095-P1637 WeakPolarHBondContact OD2-CA 3.26Å
1638V24.8Very low26.8Very low68 Ų68106.4 Ų106.441%0.41263%0.63SS.*  trans-68.1127.4157.4171.70000110.5G1092 D1095G1092-V1638 WeakPolarHBondContact O-CG1 3.37Å; G1092-V1638 WeakPolarHBondContact O-CG2 3.45Å; D1095-V1638 VanDerWaalsContact OD1-CG2 3.3Å; D1095-V1638 WeakPolarHBondContact OD1-CG2 3.33Å; D1095-V1638 PolarHBondContact OD1-N 3.05Å
1639I25Very low26.4Very low134 Ų134109.6 Ų109.669%0.68764%0.637SS**  trans71133171.30.6177.7000123.2
1640T27Very low26.2Very low107 Ų107108.3 Ų108.366%0.65662%0.62SS**  trans81.9109.9140.928.50000123.4
1641K30Very low25.9Very low178 Ų178108.8 Ų108.877%0.77462%0.624SS**  65.1134.2123.3-79.8179.7-175.6173.10121.2
1642T27Very low25.8Very low126 Ų126108.8 Ų108.877%0.77363%0.625SS**  trans70.4144158.358.40000115
1643M22.8Very low25.9Very low171 Ų171113.4 Ų113.484%0.84265%0.649SS**  cis-127.3145.830.5-64-170.6173.100116.7
1644S21.5Very low25.9Very low96 Ų96113.7 Ų113.767%0.67166%0.66SS**  trans5198.2141.5-53.90000120.1T1646S1644-T1646 PolarHBondContact O-N 3.18Å
1645S24.3Very low25.7Very low99 Ų99116.4 Ų116.469%0.69267%0.669SS**  18.297.111659.50000117.3
1646T21Very low25.9Very low124 Ų124117.2 Ų117.276%0.76167%0.674SS**  trans-169.6134.4157-84.90000108.8S1644S1644-T1646 PolarHBondContact O-N 3.18Å
1647I22.7Very low25.9Very low89 Ų89117.4 Ų117.446%0.45667%0.67SS.*  cis-165.2175.2-27-131.4163.1000106.8T1649 T1694I1647-T1649 HydrophobicContact CG2-CG2 4.48Å; I1647-T1649 PolarHBondContact O-N 3.35Å; I1647-T1694 HydrophobicContact CG1-CG2 4.06Å
1648Y31.2Very low25.9Very low82 Ų82120.2 Ų120.232%0.32268%0.681SS.*  trans-69104.6160.2-100.4179000108.4L1650 K1691 I1693Y1648-L1650 HydrophobicContact CD1-CD1 3.8Å; Y1648-L1650 HydrophobicContact CD1-CG 3.91Å; Y1648-L1650 HydrophobicContact CG-CD1 4.31Å; Y1648-L1650 HydrophobicContact CG-CG 4.17Å; Y1648-L1650 WeakPolarHBondContact O-CB 3.27Å; Y1648-L1650 PolarHBondContact O-N 2.85Å; Y1648-K1691 HydrophobicContact CE1-CG 4.46Å; Y1648-I1693 VanDerWaalsContact CB-CG2 3.48Å; Y1648-I1693 HydrophobicContact CD1-CB 4.42Å; Y1648-I1693 HydrophobicContact CD1-CG2 3.68Å; Y1648-I1693 HydrophobicContact CD2-CB 3.69Å; Y1648-I1693 HydrophobicContact CD2-CD1 4Å; Y1648-I1693 HydrophobicContact CD2-CG1 4.47Å; Y1648-I1693 HydrophobicContact CD2-CG2 3.39Å; Y1648-I1693 HydrophobicContact CE1-CG2 4.25Å; Y1648-I1693 HydrophobicContact CE2-CB 3.83Å; Y1648-I1693 HydrophobicContact CE2-CD1 4.44Å; Y1648-I1693 HydrophobicContact CE2-CG2 3.99Å; Y1648-I1693 HydrophobicContact CG-CB 4.02Å; Y1648-I1693 HydrophobicContact CG-CG2 3.22Å
1649T22.2Very low25.8Very low133 Ų133121.8 Ų121.882%0.81669%0.694SS**  trans-86.955.4149.644.20000108.6I1647I1647-T1649 HydrophobicContact CG2-CG2 4.48Å; I1647-T1649 PolarHBondContact O-N 3.35Å
1650L24.3Very low25.8Very low96 Ų96123.7 Ų123.750%0.50370%0.698SS.*  -0.8114.394.8-85.2173.5000113.8Y1648 T1652Y1648-L1650 HydrophobicContact CD1-CD1 3.8Å; Y1648-L1650 HydrophobicContact CD1-CG 3.91Å; Y1648-L1650 HydrophobicContact CG-CD1 4.31Å; Y1648-L1650 HydrophobicContact CG-CG 4.17Å; Y1648-L1650 WeakPolarHBondContact O-CB 3.27Å; Y1648-L1650 PolarHBondContact O-N 2.85Å; L1650-T1652 PolarHBondContact O-N 3.13Å
1651P24.4Very low25.7Very low122 Ų122126.1 Ų126.179%0.79270%0.702SS**SBendtrans-76.8102.6165.530.9-31.9000110.3
1652T26Very low25.6Very low110 Ų110122.7 Ų122.768%0.67570%0.7SS**  trans-172113.8154.8320000107.5L1650L1650-T1652 PolarHBondContact O-N 3.13Å
1653L29.1Very low25.5Very low154 Ų154124 Ų12481%0.80670%0.698SS**  71.8109.273.8-77.7165.7000114.6
1654S27.3Very low25.8Very low104 Ų104122.9 Ų122.973%0.72769%0.688SS**  trans67.2165.5156.186.90000115.6
1655N28.6Very low26Very low142 Ų142125.5 Ų125.576%0.75969%0.69SS**  cis-172.1157.8-28.4-108.3-15.6000106.4
1656V28.5Very low26.1Very low116 Ų116126 Ų12670%0.70369%0.688SS**  trans62.6114.6151.9173.40000118.2
1657D27.4Very low26.4Very low130 Ų130127.8 Ų127.870%0.69569%0.688SS**  trans26.3143.1130.8-36.5-39.7000122.1
1658N28.1Very low26.5Very low144 Ų144130.9 Ų130.977%0.7770%0.7SS**  trans69.2101.2160.5-57.4-69.7000118.2
1659S22.9Very low26.3Very low100 Ų100134.8 Ų134.870%0.69972%0.722SS**  trans66.4131.313275.20000120.7
1660K26.3Very low26.6Very low174 Ų174134.2 Ų134.276%0.75771%0.712SS**  trans73.2125.3144-71.5170.7170.3-170.30120.5
1661Q25.2Very low26.8Very low159 Ų159136.5 Ų136.574%0.74372%0.723SS**  trans80.3149.1134.2-66.9172.2-105.400120.7
1662S27.9Very low27Very low106 Ų106138.5 Ų138.574%0.74172%0.722SS**  trans67.4102.3153.542.70000120.8
1663E24.7Very low27.3Very low154 Ų154137.9 Ų137.972%0.7272%0.72SS**  44.3132.4108.3-71.7-168-172.700122.1
1664K28.3Very low27.3Very low147 Ų147136.2 Ų136.264%0.63972%0.716SS**  trans96.1132130.4-83.8170174143.20123.3
1665E25.4Very low27.4Very low151 Ų151137.1 Ų137.171%0.70672%0.718SS**  trans83.7119.5130.3-74.8165.7-155.600123.1
1666V26.4Very low27.4Very low109 Ų109136 Ų13666%0.66172%0.715SS**  99.4135.9119.1163.50000122.5
1667E26.7Very low27.5Very low162 Ų162136.1 Ų136.176%0.75772%0.717SS**  trans65161.7157.1-81.6154.1-155.300121.8
1668Q26.2Very low27.6Very low153 Ų153136.4 Ų136.472%0.71572%0.723SS**  cis-171-170.3-41.3-112.2-172.955.600108.9
1669E27.5Very low27.6Very low165 Ų165133 Ų13377%0.77172%0.722SS**  trans75.4148.7157-58.7-142.4126.700117.4
1670I27.8Very low27.9Very low120 Ų120139.6 Ų139.662%0.61573%0.732SS**  cis-164.2152.4-3.6-125.6178.7000114.3
1671I29Very low27.8Very low144 Ų144139.9 Ų139.974%0.73873%0.733SS**  trans64.3152.7154-72.6174.6000121.7
1672Q27.6Very low27.9Very low164 Ų164143.2 Ų143.277%0.76674%0.74SS**  cis-170.9-166-37-140.6-173.151.700111
1673P32.8Very low27.9Very low97 Ų97143.7 Ų143.763%0.6374%0.744SS**  -118.7-162.8-113.243.5-25.2000116.1
1674V29.1Very low28Very low119 Ų119139.8 Ų139.872%0.72175%0.745SS**  171.8107.7127.3153.40000114.4
1675T28.5Very low28.1Very low124 Ų124141.1 Ų141.176%0.76176%0.758SS**  trans49.9153.3138.9800000122.9
1676V29.5Very low28.1Very low117 Ų117139 Ų13971%0.70976%0.76SS**  cis-165.1150.26.4101.70000114.7
1677T29.6Very low28.4Very low120 Ų120138.3 Ų138.374%0.73676%0.758SS**  trans58.7148.5162.755.20000121
1678T30.4Very low28.5Very low135 Ų135140.5 Ų140.583%0.82876%0.761SS**  cis-146.3153.8-0.80.70000111.1
1679G28.5Very low28.6Very low73 Ų73140 Ų14075%0.75377%0.767SS**  trans-80.1-168.3-172.300000117.6
1680R27.8Very low28.6Very low238 Ų238135.2 Ų135.290%0.89876%0.762SS**  cis-149.4148.542.3-66.5169.9168.1169.5-3.5115
1681K25.5Very low28.7Very low180 Ų180137.4 Ų137.478%0.78377%0.767SS**  trans45.3110.6147.2-64.7-175.8174.8-169.40120
1682Y27.6Very low28.6Very low229 Ų229135.2 Ų135.290%0.89877%0.765SS**  -160.5-176.899.5-101.6-67.9000109.4
1683S26.4Very low28.5Very low117 Ų117131 Ų13182%0.81875%0.746SS**  trans-144.3135.4-154.855.60000116.4
1684G27.4Very low28.2Very low71 Ų71129.2 Ų129.273%0.73273%0.734SS**  trans128.8146.6174.300000111.3
1685L29.4Very low28.1Very low175 Ų175130.4 Ų130.492%0.91674%0.737SS**  cis-152.5157.2-3.3-106.3165.9000110.6
1686S25.5Very low28.2Very low108 Ų108130.1 Ų130.176%0.75573%0.734SS**  trans17.3141.2166.3-147.60000123.8
1687P32.8Very low28.4Very low94 Ų94131 Ų13161%0.6174%0.74SS**  trans-118.3-164.1174.724.5-0.1000114.6
1688Y29.1Very low28.3Very low208 Ų208130.5 Ų130.582%0.81674%0.738SS**  trans79.5144.8169.5-57.2-71.2000117
1689V28.5Very low28.1Very low142 Ų142126.6 Ų126.686%0.86173%0.725SS**  cis118.8121.67.4165.20000113.1
1690G28.6Very low28Very low64 Ų64130.2 Ų130.266%0.6673%0.727SS**  trans176.2145.4173.700000108.5
1691K28.7Very low28Very low166 Ų166127 Ų12772%0.72272%0.72SS**  cis70.3135.738.9-61.9-161170.8-172.90113.7Y1648Y1648-K1691 HydrophobicContact CE1-CG 4.46Å
1692S26.8Very low28.3Very low98 Ų98126.4 Ų126.469%0.68571%0.714SS**  cis-135.9168.910.8-165.80000113.6
1693I27Very low28.3Very low75 Ų75121.8 Ų121.839%0.38571%0.705SS.*  trans-88.6168.9168-148.9164.8000111.2Y1648Y1648-I1693 VanDerWaalsContact CB-CG2 3.48Å; Y1648-I1693 HydrophobicContact CD1-CB 4.42Å; Y1648-I1693 HydrophobicContact CD1-CG2 3.68Å; Y1648-I1693 HydrophobicContact CD2-CB 3.69Å; Y1648-I1693 HydrophobicContact CD2-CD1 4Å; Y1648-I1693 HydrophobicContact CD2-CG1 4.47Å; Y1648-I1693 HydrophobicContact CD2-CG2 3.39Å; Y1648-I1693 HydrophobicContact CE1-CG2 4.25Å; Y1648-I1693 HydrophobicContact CE2-CB 3.83Å; Y1648-I1693 HydrophobicContact CE2-CD1 4.44Å; Y1648-I1693 HydrophobicContact CE2-CG2 3.99Å; Y1648-I1693 HydrophobicContact CG-CB 4.02Å; Y1648-I1693 HydrophobicContact CG-CG2 3.22Å
1694T26Very low28.4Very low61 Ų61120.5 Ų120.537%0.37469%0.692SS.*  trans37.4124.1167.560.90000119.3I1647I1647-T1694 HydrophobicContact CG1-CG2 4.06Å
1695D27.3Very low28.7Very low144 Ų144124.5 Ų124.577%0.7770%0.696SS**  -169.5156100.5-106.8-24.7000116.2
1696V30Very low28.6Very low117 Ų117125.7 Ų125.771%0.70969%0.693SS**  trans45.688.8146.9-174.80000118.4
1697V32.7Very low29.3Very low137 Ų137123.3 Ų123.383%0.8369%0.686SS**  trans-44.3129.3133.91720000108.4
1698P29.1Very low29.3Very low108 Ų108125.3 Ų125.370%0.70170%0.696SS**  -150.917269.143.1-25.8000117.7
1699G26.4Very low29.2Very low54 Ų54121.6 Ų121.656%0.55769%0.686SS**  trans95.5125.1130.600000116.2
1700D25.7Very low29Very low148 Ų148122 Ų12279%0.79168%0.683SS**  trans34.8110130.7-31.4-26000116.7
1701K27.8Very low29Very low170 Ų170125.7 Ų125.774%0.73969%0.687SS**  175.8120.188.7-93.7-176.4-173.4177.20114.2
1702Y31.6Very low28.8Very low168 Ų168124.1 Ų124.166%0.65969%0.686SS**  trans52.6139.9154-53.2-81.4000118.3V1704Y1702-V1704 HydrophobicContact CD1-CB 3.62Å; Y1702-V1704 HydrophobicContact CD1-CG1 3.57Å; Y1702-V1704 HydrophobicContact CE1-CB 4.13Å; Y1702-V1704 HydrophobicContact CE1-CG1 3.58Å
1703D28.3Very low28.9Very low133 Ų133122.2 Ų122.271%0.71167%0.669SS**  cis-101152.17.3-48.1-42.4000112
1704V28.7Very low29Very low90 Ų90122 Ų12255%0.54567%0.669SS.*  cis57.492.7-17-171.20000117.1Y1702Y1702-V1704 HydrophobicContact CD1-CB 3.62Å; Y1702-V1704 HydrophobicContact CD1-CG1 3.57Å; Y1702-V1704 HydrophobicContact CE1-CB 4.13Å; Y1702-V1704 HydrophobicContact CE1-CG1 3.58Å
1705L33.2Very low29.3Very low155 Ų155122.1 Ų122.181%0.81267%0.673SS**SBendtrans74.384.6152.6-53.8170.1000119.2
1706K27.3Very low29.5Very low200 Ų200123.5 Ų123.587%0.8767%0.674SS**  trans66.463.5141.8-155.6-167.3-176.5-175.30118.6
1707G39.2Very low29.6Very low58 Ų58122.7 Ų122.760%0.59867%0.672SS**  trans69.7-128.3150.600000115.7
1708V33.4Very low29.4Very low136 Ų136120.7 Ų120.782%0.82466%0.663SS**  trans80.2149.6-177.1-172.90000115.4
1709E26.3Very low29.4Very low129 Ų129122.6 Ų122.660%0.60367%0.667SS**  trans-25.7132.2-171.1-70.8164.6-152.200120.4
1710N26.1Very low29.4Very low151 Ų151125.1 Ų125.181%0.80767%0.672SS**SBendtrans-121.7114.9147.4-140.3-32.2000107.9
1711I27.9Very low29.5Very low142 Ų142124.2 Ų124.273%0.72867%0.666SS**SBendtrans61.871.3170.8-38.4177.3000115.9
1712L24.4Very low29.6Very low133 Ų133124 Ų12470%0.69667%0.667SS**SBend-167.313.9120.6-102.1174.8000117.5
1713V28.7Very low29.7Very low57 Ų57124 Ų12435%0.34567%0.673SS.*  trans72.9173.5141.8-1630000115.8
1714D29.8Very low29.8Very low72 Ų72124.6 Ų124.639%0.38568%0.677SS.*  -132.4-151.5-107.180.6115.4000116.9M1757D1714-M1757 WeakPolarHBondContact O-CE 3.45Å; D1714-M1757 WeakPolarHBondContact O-CG 3.12Å
1715S31.9Very low30.2Very low63 Ų63125.7 Ų125.744%0.44168%0.679SS.*  trans104.2125.7153.178.10000118.6M1757S1715-M1757 WeakPolarHBondContact OG-CE 3.43Å
1716Q30.9Very low30.2Very low172 Ų172125.9 Ų125.980%0.80467%0.673SS**  39.3144.3127.3-61.4-69.5-5500120.3
1717P33.3Very low30.6Very low101 Ų101122.9 Ų122.966%0.65667%0.666SS**  cis-141.2179.4-12.540-20.7000116.3
1718S28.3Very low30.3Very low94 Ų94126.9 Ų126.966%0.65767%0.673SS**  trans-11.9147.8155.661.70000121
1719L29.1Very low30.4Very low148 Ų148125 Ų12578%0.77567%0.667SS**  179.4111120.5-86.7152.1000106
1720T25.6Very low30.8Very low108 Ų108123.6 Ų123.666%0.66367%0.671SS**  63.8166.684.764.20000115.5
1721I28.3Very low31.3Very low129 Ų129123 Ų12366%0.66267%0.673SS**  trans84.594.8169.8-66.1162.8000112.9
1722E29.8Very low31.5Very low164 Ų164119.7 Ų119.777%0.76667%0.674SS**  100.6154.998.9-85.4163.4-154.200110.1
1723E33.8Very low32.3Very low168 Ų168119.2 Ų119.279%0.78568%0.679SS**  cis-140.2140.20.3-108.1158.3158.400106.1
1724D30.9Very low32.7Very low147 Ų147122 Ų12279%0.78670%0.698SS**  50.2107.982.5-100-7000116.4
1725D35.6Very low32.9Very low112 Ų112124.6 Ų124.660%0.59972%0.716SS**  -177.3123.9123.3-100.624.7000113.8
1726K34.1Very low33.1Very low159 Ų159127.9 Ų127.969%0.69173%0.729SS**  66.8132.696.5-65.2-167.9-160.781.70113.8
1727I35.7Very low33.3Very low138 Ų138128 Ų12871%0.70873%0.729SS**  cis-154.8157.426.8-118.9147.6000113.1
1728N33Very low33.1Very low141 Ų141131.3 Ų131.375%0.75474%0.736SS**  trans-19.1165.5159.3-35.9-44.6000119.1
1729S34.8Very low33.1Very low98 Ų98133.8 Ų133.869%0.68574%0.739SS**  cis-165.5159.428.756.90000116.4
1730S35.5Very low33.4Very low99 Ų99132.5 Ų132.569%0.69274%0.737SS**  trans60.3140.8146.958.30000119.7
1731T35.7Very low33.7Very low138 Ų138132.8 Ų132.885%0.84774%0.738SS**  cis-168.1133.8-7.821.70000104.2
1732G33.4Very low34Very low73 Ų73132.1 Ų132.175%0.75374%0.742SS**  cis96.4150.249.800000110.4
1733P39.3Very low34.1Very low123 Ų123130 Ų13080%0.79974%0.741SS**  cis-130.4172.7-3.642-26.2000115.3
1734P37.1Very low34Very low115 Ų115130 Ų13075%0.74774%0.74SS**  trans-95.8178.1171.739.4-36.2000113.6
1735V35.5Very low34Very low127 Ų127127 Ų12777%0.7773%0.731SS**  trans-139.8113.5163.4179.80000110.4
1736N34.6Very low33.9Very low132 Ų132127.5 Ų127.571%0.70673%0.734SS**  trans33.2154.3134.6-37.9-6000120.6
1737E35.1Very low33.7Very low175 Ų175129.4 Ų129.482%0.81874%0.737SS**  cis-130.3151.211.7-62.4169.5148.900108.2
1738E29.5Very low33.4Very low169 Ų169129.9 Ų129.979%0.7974%0.739SS**  58.5141.354.1-70.2-163.115200113.3
1739M29.9Very low33.4Very low147 Ų147126.3 Ų126.372%0.72474%0.736SS**  cis-165.717517.6-138.516948.100111.9
1740V33.8Very low33.2Very low121 Ų121129.6 Ų129.673%0.73374%0.74SS**  trans72.3138.9149.4163.40000119.4
1741V32.3Very low32.8Very low114 Ų114131.8 Ų131.869%0.69174%0.743SS**  cis-161151.4-19.5126.50000109.4
1742P34.8Very low32.6Very low114 Ų114129.6 Ų129.674%0.7473%0.734SS**  trans-104.7147.5177.338-32.9000115.7
1743T32.6Very low32.4Very low120 Ų120136.1 Ų136.174%0.73674%0.736SS**  trans-172.1153.7167.428.60000111
1744Q31.4Very low32Very low167 Ų167135.7 Ų135.778%0.7873%0.731SS**  cis-168.3140.3-26-129.9-176.93100112.3
1745S30.5Very low31.7Very low84 Ų84135 Ų13559%0.58772%0.721SS**  trans81.2148.8140.386.10000123.7
1746N32.8Very low31.4Very low123 Ų123135.5 Ų135.566%0.65872%0.72SS**  trans76.7140143.8-65.3-38.5000119.7
1747R31.2Very low31.1Very low199 Ų199133.5 Ų133.575%0.75171%0.707SS**  cis-165.5137.13.9-117.5166.8-169.1-164.1-0116
1748I29.4Very low30.9Very low148 Ų148130.6 Ų130.676%0.75970%0.696SS**  trans60.6125.9136.7-67167.6000121.9
1749G31.8Very low30.9Very low66 Ų66127 Ų12768%0.6869%0.689SS**  trans121.1136.1132.700000116.1
1750Q31.1Very low30.9Very low168 Ų168125.1 Ų125.179%0.78569%0.691SS**  cis-149136.3-4.1-71.2-170.7-20.600109
1751L28.1Very low30.6Very low144 Ų144124.3 Ų124.375%0.75469%0.69SS**  62.3137.1110.5-57.7169.9000115.9
1752S30.2Very low30.5Very low93 Ų93125.9 Ų125.965%0.6570%0.695SS**  cis-163.2148.613.350.30000111.9
1753R29.7Very low30.3Very low209 Ų209127 Ų12779%0.78969%0.694SS**  59.2154.4106.6-53.1177.8178163.9-5.7116.7
1754T31.2Very low30.2Very low115 Ų115127.8 Ų127.871%0.70669%0.693SS**  cis-126-175.123.658.40000112.7
1755D30.3Very low30.1Very low100 Ų100127 Ų12754%0.53569%0.689SS.*  cis72131.228.3-2.2-57.1000113.5
1756D29.7Very low30Very low138 Ų138130.5 Ų130.574%0.73869%0.694SS**  cis-151.8175.5-1-35.8-92.6000107.8
1757M28.2Very low29.7Very low89 Ų89132 Ų13244%0.43870%0.697SS.*  cis-173.6172.6-30.7-169.1-99.8-179.900109.7D1714 S1715D1714-M1757 WeakPolarHBondContact O-CE 3.45Å; D1714-M1757 WeakPolarHBondContact O-CG 3.12Å; S1715-M1757 WeakPolarHBondContact OG-CE 3.43Å
1758I31.1Very low29.4Very low114 Ų114129 Ų12959%0.58569%0.694SS**  trans87.7131.9171.7-51.8168.7000117.4
1759S28.3Very low29.2Very low94 Ų94128.8 Ų128.866%0.65769%0.69SS**  cis105158.94.7960000121.3
1760S30.1Very low29Very low107 Ų107131.1 Ų131.175%0.74868%0.681SS**  trans72.2102.8169.9-64.70000124.5
1761S28.4Very low28.8Very low104 Ų104130.2 Ų130.273%0.72768%0.682SS**  60.4133.6127.7-55.10000125.7
1762N29.3Very low28.8Very low147 Ų147128.2 Ų128.279%0.78668%0.68SS**  trans85143.7146.3-65-30.4000122.1
1763N31.6Very low28.7Very low137 Ų137129.7 Ų129.773%0.73368%0.681SS**  trans86.4112.6150.2-73.9-32.6000122.6
1764I29.8Very low28.6Very low138 Ų138127.1 Ų127.171%0.70868%0.682SS**  87.4107.4128.1-64168.7000119
1765H29.1Very low28.3Very low151 Ų151125.7 Ų125.770%0.69968%0.677SS**  trans75.2117.2143.2-82.716.6000121.9
1766K29.2Very low28.2Very low156 Ų156127.4 Ų127.468%0.67869%0.686SS**  75.4123.4127.3-69.7180180175.30120.1
1767Q26.7Very low28Very low156 Ų156127.4 Ų127.473%0.72968%0.684SS**  trans84.7113.3139.2-72.1176.8-86.800119.7
1768I24.7Very low27.8Very low136 Ų136133.4 Ų133.470%0.69770%0.703SS**  trans88.7126.4140-61.3162.9000116.8
1769E25.5Very low28Very low143 Ų143131.2 Ų131.267%0.66870%0.697SS**  trans67.7116.8170-71.5-178.5120.300116.2
1770K27.6Very low27.6Very low115 Ų115131.9 Ų131.950%0.569%0.693SS.*  79.6128.195.4-72.3178-1791610113.2
1771D26.6Very low27.3Very low148 Ų148130.7 Ų130.779%0.79168%0.681SS**  cis-139160.70-71.9-55000110
1772S26.9Very low27Very low102 Ų102128.7 Ų128.771%0.71367%0.667SS**  trans-154.9170.8-177.466.50000109.5
1773D29.4Very low26.8Very low125 Ų125128.7 Ų128.767%0.66867%0.665SS**  cis-127.8-178.79.8-85.7-76.9000109.5
1774L26.3Very low26.5Very low154 Ų154129.6 Ų129.681%0.80667%0.67SS**  cis65.1150.134.8-71.4174.8000113.2
1775S25.3Very low26.3Very low86 Ų86128.7 Ų128.760%0.60167%0.671SS**  cis-157.9-174.5-2.746.60000110.1
1776N27.8Very low26.1Very low136 Ų136130 Ų13073%0.72768%0.678SS**  trans73.5147.9167.3-55.1-23.4000118.2
1777I26.1Very low26Very low137 Ų137127.3 Ų127.370%0.70368%0.678SS**  cis105.594.96.8-59.2168000115.8
1778Y23.5Very low26Very low215 Ų215126.8 Ų126.884%0.84368%0.68SS**  trans66.6179.5144.6-84.5-59.7000119.7
1779P35Very low26.1Very low68 Ų68128.4 Ų128.444%0.44269%0.689SS.*  trans-102.3-97.9-138.542.1-35.8000119.6I2017 K2018P1779-I2017 CarbonylContact C-O 3.58Å; P1779-I2017 CarbonylContact O-C 3.59Å; P1779-K2018 WeakPolarHBondContact O-CG 3.49Å
1780D21.7Very low26.3Very low108 Ų108126.2 Ų126.258%0.57869%0.69SS**  -89.3110.9-129.7-95.4-80.4000125.1I2017 K2018D1780-I2017 CarbonylContact C-O 3.53Å; D1780-I2017 WeakPolarHBondContact CA-O 3.44Å; D1780-I2017 PolarHBondContact N-O 3.29Å; D1780-K2018 WeakPolarHBondContact OD1-CE 3.15Å; D1780-K2018 IonicContact OD1-NZ 3.95Å; D1780-K2018 PolarHBondContact OD1-NZ 2.88Å; D1780-K2018 WeakPolarHBondContact OD2-CE 3.22Å; D1780-K2018 IonicContact OD2-NZ 2.66Å; D1780-K2018 PolarHBondContact OD2-NZ 3.44Å
1781V23.3Very low26.4Very low83 Ų83127.2 Ų127.250%0.50370%0.696SS.*  trans93.8107.9152.9-173.30000121.7I2017 K2018V1781-I2017 VanDerWaalsContact C-C 3.49Å; V1781-I2017 VanDerWaalsContact N-C 3.34Å; V1781-I2017 PolarHBondContact N-O 3.2Å; V1781-K2018 VanDerWaalsContact N-CG 3.3Å
1782S22.6Very low26.6Very low62 Ų62124.5 Ų124.543%0.43468%0.682SS.*  trans95.9132.9137.271.70000124.9K2018S1782-K2018 WeakPolarHBondContact CA-O 3.25Å; S1782-K2018 PolarHBondContact N-O 3.04Å
1783I24.7Very low27Very low146 Ų146124 Ų12475%0.74967%0.674SS**  45.2119.1128.8-55.6166000119.9
1784D24.5Very low27Very low156 Ų156124.3 Ų124.383%0.83467%0.672SS**  -169.7-179.4106.4-129-35.9000114.1
1785V26.4Very low27Very low119 Ų119122.4 Ų122.472%0.72165%0.654SS**  trans-115.1149.4-156.3-178.90000115.3
1786E25.1Very low27.3Very low180 Ų180124.5 Ų124.584%0.84165%0.654SS**  169.9140.9127-93-175.9171.800117.7
1787S27.5Very low27.6Very low98 Ų98122.3 Ų122.369%0.68564%0.641SS**  trans75.998.6152.862.30000123.8
1788D25.8Very low27.8Very low146 Ų146122 Ų12278%0.78164%0.635SS**  104.3123.7118.5-64-0.8000123.3
1789L26.6Very low28.1Very low170 Ų170116.3 Ų116.389%0.8962%0.618SS**  trans70.6122.3160.8-57.4143000117.4
1790S29.8Very low28.2Very low97 Ų97120.4 Ų120.468%0.67863%0.629SS**  cis-155.9155.6-0.660.30000113D1792S1790-D1792 VanDerWaalsContact C-N 3.3Å; S1790-D1792 PolarHBondContact O-N 2.9Å
1791H30.3Very low28.6Very low135 Ų135120.7 Ų120.763%0.62563%0.627SS**THydrogen-bonded Turntrans-61.1-5-161.7-71.6-55.1000119.9T1793 E1794H1791-T1793 VanDerWaalsContact C-N 3.25Å; H1791-T1793 PolarHBondContact O-N 3.14Å; H1791-E1794 IonicContact ND1-OE2 2.77Å
1792D30.8Very low28.9Very low92 Ų92118.9 Ų118.949%0.49261%0.613SS.*THydrogen-bonded Turntrans-77.5-7.5-167.3-162.846.5000114.4K1159 S1790K1159-D1792 IonicContact NZ-OD2 3.51Å; K1159-D1792 PolarHBondContact NZ-OD2 2.76Å; S1790-D1792 VanDerWaalsContact C-N 3.3Å; S1790-D1792 PolarHBondContact O-N 2.9Å
1793T33.7Very low29.3Very low90 Ų90123.2 Ų123.255%0.55262%0.624SS**THydrogen-bonded Turntrans-97.1-43.7-174.4-41.40000112.6H1791 R1795 Q1796 I1797H1791-T1793 VanDerWaalsContact C-N 3.25Å; H1791-T1793 PolarHBondContact O-N 3.14Å; T1793-R1795 VanDerWaalsContact C-N 3.25Å; T1793-R1795 PolarHBondContact O-N 2.9Å; T1793-Q1796 PolarHBondContact O-N 3.15Å; T1793-Q1796 VanDerWaalsContact O-N 3.12Å; T1793-I1797 PolarHBondContact O-N 3.08Å
1794E29.4Very low29.6Very low133 Ų133123 Ų12362%0.62162%0.62SS**Hα-helixtrans-62.8-34.6-179.9-62176.6119.400111.8H1791 Q1796 I1797 F1798H1791-E1794 IonicContact ND1-OE2 2.77Å; E1794-Q1796 PolarHBondContact O-N 3.35Å; E1794-I1797 WeakPolarHBondContact O-CA 3.46Å; E1794-I1797 WeakPolarHBondContact O-CB 3.24Å; E1794-I1797 PolarHBondContact O-N 3.32Å; E1794-F1798 PolarHBondContact O-N 3.27Å
1795R26.9Very low29.7Very low113 Ų113121.1 Ų121.143%0.42661%0.609SS.*Hα-helixtrans-61.1-30.2177-142.2173-174.8-162.6-0.3112.8T1793 I1799 Y1845T1793-R1795 VanDerWaalsContact C-N 3.25Å; T1793-R1795 PolarHBondContact O-N 2.9Å; R1795-I1799 WeakPolarHBondContact O-CD1 3.17Å; R1795-I1799 VanDerWaalsContact O-CG1 3.26Å; R1795-I1799 WeakPolarHBondContact O-CG1 3.39Å; R1795-I1799 PolarHBondContact O-N 3.32Å; R1795-Y1845 PolarHBondContact NH2-O 3.47Å
1796Q32.6Very low29.8Very low131 Ų131120.4 Ų120.461%0.61260%0.597SS**Hα-helixtrans-80.8-26.4172.6-63.5-159.9300113.3T1793 E1794 K1800T1793-Q1796 PolarHBondContact O-N 3.15Å; T1793-Q1796 VanDerWaalsContact O-N 3.12Å; E1794-Q1796 PolarHBondContact O-N 3.35Å; Q1796-K1800 PolarHBondContact O-N 3.44Å
1797I33.8Very low30.1Very low89 Ų89114.3 Ų114.346%0.45657%0.574SS.*Hα-helixtrans-71.8-44174.2-62.8172.4000109.9T1793 E1794 I1799 K1800 Q1801T1793-I1797 PolarHBondContact O-N 3.08Å; E1794-I1797 WeakPolarHBondContact O-CA 3.46Å; E1794-I1797 WeakPolarHBondContact O-CB 3.24Å; E1794-I1797 PolarHBondContact O-N 3.32Å; I1797-I1799 PolarHBondContact O-N 2.93Å; I1797-K1800 WeakPolarHBondContact O-CB 3.4Å; I1797-K1800 PolarHBondContact O-N 3.42Å; I1797-K1800 VanDerWaalsContact O-N 3.13Å; I1797-Q1801 PolarHBondContact O-N 2.85Å
1798F30Very low30Very low132 Ų132115 Ų11558%0.57957%0.57SS**Hα-helixtrans-59.6-45.5175-162.8-94.6000111.7E1794 K1800 Q1801 H1802E1794-F1798 PolarHBondContact O-N 3.27Å; F1798-K1800 VanDerWaalsContact C-N 3.31Å; F1798-K1800 PolarHBondContact O-N 2.85Å; F1798-Q1801 PolarHBondContact O-N 2.88Å; F1798-H1802 PolarHBondContact O-N 3.13Å
1799I30.5Very low30Very low95 Ų95110.4 Ų110.449%0.48755%0.549SS..Hα-helixtrans-64.4-32.5175.6-70169000112.2R1795 I1797 K1803R1795-I1799 WeakPolarHBondContact O-CD1 3.17Å; R1795-I1799 VanDerWaalsContact O-CG1 3.26Å; R1795-I1799 WeakPolarHBondContact O-CG1 3.39Å; R1795-I1799 PolarHBondContact O-N 3.32Å; I1797-I1799 PolarHBondContact O-N 2.93Å; I1799-K1803 WeakPolarHBondContact O-CB 3.24Å; I1799-K1803 WeakPolarHBondContact O-CG 3.29Å; I1799-K1803 PolarHBondContact O-N 3.24Å
1800K36.7Very low30.1Very low153 Ų153109.6 Ų109.667%0.66555%0.545SS*.Hα-helixtrans-66.9-51.5170.9-88.7-172.8169.9-171.60111.8Q1796 I1797 F1798 H1802 K1803 Q1804Q1796-K1800 PolarHBondContact O-N 3.44Å; I1797-K1800 WeakPolarHBondContact O-CB 3.4Å; I1797-K1800 PolarHBondContact O-N 3.42Å; I1797-K1800 VanDerWaalsContact O-N 3.13Å; F1798-K1800 VanDerWaalsContact C-N 3.31Å; F1798-K1800 PolarHBondContact O-N 2.85Å; K1800-H1802 PolarHBondContact O-N 3.48Å; K1800-K1803 PolarHBondContact O-N 3.27Å; K1800-Q1804 WeakPolarHBondContact O-CB 3.35Å; K1800-Q1804 PolarHBondContact O-N 3.32Å; K1800-Q1804 VanDerWaalsContact O-N 3.1Å
1801Q28.8Very low29.9Very low114 Ų114110.7 Ų110.753%0.53355%0.553SS.*Hα-helixtrans-65.4-39-176.1-73.2175.4-34.700112.3I1797 F1798 Q1804 L1805I1797-Q1801 PolarHBondContact O-N 2.85Å; F1798-Q1801 PolarHBondContact O-N 2.88Å; Q1801-Q1804 PolarHBondContact O-N 3.24Å; Q1801-Q1804 VanDerWaalsContact O-N 3.14Å; Q1801-L1805 PolarHBondContact O-N 2.85Å
1802H30.2Very low29.9Very low45 Ų45110.8 Ų110.821%0.20855%0.553CS.*Hα-helixtrans-68.8-31.6174.1-114.2-117.1000113.1K389 F1798 K1800 Q1804 F1806K389-H1802 PolarHBondContact NZ-NE2 3.27Å; F1798-H1802 PolarHBondContact O-N 3.13Å; K1800-H1802 PolarHBondContact O-N 3.48Å; H1802-Q1804 VanDerWaalsContact C-N 3.25Å; H1802-Q1804 PolarHBondContact O-N 3.22Å; H1802-F1806 AromaticContact ND1-CE2 3.84Å; H1802-F1806 WeakPolarHBondContact O-CD2 3.31Å
1803K31.9Very low29.8Very low153 Ų153112.2 Ų112.267%0.66557%0.568SS**Hα-helixtrans-66.9-26.1169.8-87.1-170.2168.2-168.90113.3I1799 K1800I1799-K1803 WeakPolarHBondContact O-CB 3.24Å; I1799-K1803 WeakPolarHBondContact O-CG 3.29Å; I1799-K1803 PolarHBondContact O-N 3.24Å; K1800-K1803 PolarHBondContact O-N 3.27Å
1804Q31.2Very low29.6Very low141 Ų141116.6 Ų116.666%0.65958%0.575SS**THydrogen-bonded Turntrans-93.80.1-174.2-155.3161.8-1.700113.5K1800 Q1801 H1802K1800-Q1804 WeakPolarHBondContact O-CB 3.35Å; K1800-Q1804 PolarHBondContact O-N 3.32Å; K1800-Q1804 VanDerWaalsContact O-N 3.1Å; Q1801-Q1804 PolarHBondContact O-N 3.24Å; Q1801-Q1804 VanDerWaalsContact O-N 3.14Å; H1802-Q1804 VanDerWaalsContact C-N 3.25Å; H1802-Q1804 PolarHBondContact O-N 3.22Å
1805L26Very low29.6Very low118 Ų118114.2 Ų114.262%0.61857%0.572SS**SBendtrans-113.23.5176.9-75.3167000113.8Q1801Q1801-L1805 PolarHBondContact O-N 2.85Å
1806F28.9Very low29.7Very low103 Ų103113.2 Ų113.245%0.45257%0.572SS.*SBendtrans-118.54.9175.4-72.3-51.4000114.3K387 H1802K387-F1806 HydrophobicContact CD-CE1 3.51Å; K387-F1806 HydrophobicContact CD-CZ 3.73Å; K387-F1806 VanDerWaalsContact NZ-CZ 3.3Å; H1802-F1806 AromaticContact ND1-CE2 3.84Å; H1802-F1806 WeakPolarHBondContact O-CD2 3.31Å
1807S30.6Very low29.7Very low53 Ų53112.5 Ų112.537%0.37157%0.567SS.*SBendtrans-84-10.7-173.447.60000115.8R1041R1041-S1807 PolarHBondContact NH2-O 3.41Å
1808D26.6Very low29.5Very low113 Ų113112.1 Ų112.160%0.60457%0.566SS**SBendtrans-124.113.4-159.5-57.5-28.8000114.6R1041R1041-D1808 IonicContact CZ-OD1 3.23Å; R1041-D1808 IonicContact NH1-OD1 2.67Å; R1041-D1808 PolarHBondContact NH1-OD1 2.79Å; R1041-D1808 IonicContact NH2-OD1 3.01Å
1809S25.6Very low29.4Very low48 Ų48109.7 Ų109.734%0.33656%0.562SS.*SBendtrans-152.281.9173.673.90000114.6
1810L27Very low29.4Very low154 Ų154106 Ų10681%0.80654%0.543SS*.  trans168.9115.4137.8-94159.6000111
1811S26.3Very low29.1Very low120 Ų120101.6 Ų101.684%0.83953%0.527SS*.  trans-88.6104.9172.751.80000110.9
1812H29.9Very low29.1Very low136 Ų13698.1 Ų98.163%0.6351%0.513SS*.  trans-150.7131.3166.2-156.9-85.7000111.1Y1814H1812-Y1814 PolarHBondContact O-N 3.48Å
1813P29.5Very low29Very low123 Ų123100.6 Ų100.680%0.79953%0.525SS*.THydrogen-bonded Turntrans-69.19.6-167.5-22.635000117.8
1814Y28.3Very low29Very low181 Ų18196.2 Ų96.271%0.7151%0.514SS*.THydrogen-bonded Turntrans-105.6-7.4-171.5-122.2-94.8000114.3H1812H1812-Y1814 PolarHBondContact O-N 3.48Å
1815C29.8Very low28.9Very low83 Ų8394.9 Ų94.956%0.56151%0.51SS*.SBendtrans-90.6-20-169.3-67.20000115.2L1818 T1819C1815-L1818 WeakPolarHBondContact O-CB 3.3Å; C1815-T1819 PolarHBondContact O-OG1 3.28Å
1816E30.3Very low29Very low92 Ų9292.1 Ų92.143%0.4350%0.498SS..SBendtrans-83.7-27.5-172.1-66.7-177.7123.300113.7N1070 L1818 T1819N1070-E1816 HydrophobicContact CB-CB 4.23Å; N1070-E1816 PolarHBondContact ND2-O 2.9Å; E1816-L1818 PolarHBondContact O-N 2.88Å; E1816-T1819 PolarHBondContact O-N 3.07Å; E1816-T1819 PolarHBondContact O-OG1 3.16Å
1817K32.4Very low29.1Very low117 Ų11793.1 Ų93.151%0.50951%0.508SS..Hα-helixtrans-70.3-22.6171.4-66.7-171175.8-125.10113E1072 T1819 N1821E1072-K1817 WeakPolarHBondContact OE1-CD 3.37Å; E1072-K1817 VanDerWaalsContact OE1-CE 3.32Å; E1072-K1817 WeakPolarHBondContact OE1-CE 3.38Å; E1072-K1817 IonicContact OE1-NZ 3.2Å; E1072-K1817 PolarHBondContact OE1-NZ 3.24Å; K1817-T1819 VanDerWaalsContact C-N 3.33Å; K1817-N1821 PolarHBondContact O-ND2 3.26Å
1818L28.4Very low29.1Very low80 Ų8099.2 Ų99.242%0.41953%0.528SS..Hα-helixtrans-72.2-24.4173.3-85.5158000112.9C1815 E1816 V1822 H1856C1815-L1818 WeakPolarHBondContact O-CB 3.3Å; E1816-L1818 PolarHBondContact O-N 2.88Å; L1818-V1822 VanDerWaalsContact O-CG2 3.26Å; L1818-V1822 WeakPolarHBondContact O-CG2 3.42Å; L1818-H1856 HydrophobicContact CD2-CB 3.62Å
1819T28.6Very low29.1Very low81 Ų8197.9 Ų97.950%0.49753%0.527SS..Hα-helixtrans-80.6-39.1-175.1-21.20000112.3C1815 E1816 K1817 V1822 Q1823C1815-T1819 PolarHBondContact O-OG1 3.28Å; E1816-T1819 PolarHBondContact O-N 3.07Å; E1816-T1819 PolarHBondContact O-OG1 3.16Å; K1817-T1819 VanDerWaalsContact C-N 3.33Å; T1819-V1822 WeakPolarHBondContact O-CB 3.46Å; T1819-Q1823 PolarHBondContact O-N 2.92Å
1820D30.8Very low29.1Very low17 Ų17104.1 Ų104.19%0.09155%0.549CS..Hα-helixtrans-84.4-33.2-173-72.7-23.4000113.6N1070 T1073 V1822 Q1823 S1824N1070-D1820 PolarHBondContact ND2-OD2 3.02Å; T1073-D1820 VanDerWaalsContact CB-OD2 3.32Å; T1073-D1820 WeakPolarHBondContact CB-OD2 3.46Å; T1073-D1820 HydrophobicContact CG2-CB 3.6Å; T1073-D1820 WeakPolarHBondContact CG2-OD2 3.29Å; T1073-D1820 PolarHBondContact OG1-OD1 2.68Å; T1073-D1820 PolarHBondContact OG1-OD2 3.36Å; D1820-V1822 PolarHBondContact O-N 2.92Å; D1820-Q1823 WeakPolarHBondContact O-CB 3.42Å; D1820-Q1823 PolarHBondContact O-N 3.15Å; D1820-Q1823 VanDerWaalsContact O-N 3.09Å; D1820-S1824 PolarHBondContact O-N 3.31Å
1821N31Very low29.2Very low61 Ų61103.3 Ų103.333%0.32655%0.55SS..Hα-helixtrans-61.2-31.7170-80.6-77.4000112E1072 K1817 I1825E1072-N1821 PolarHBondContact OE2-ND2 3.17Å; K1817-N1821 PolarHBondContact O-ND2 3.26Å; N1821-I1825 WeakPolarHBondContact O-CG1 3.37Å; N1821-I1825 PolarHBondContact O-N 3.15Å
1822V27.4Very low29.1Very low42 Ų42103.1 Ų103.126%0.25554%0.539SS..Hα-helixtrans-68.6-43.5171.6166.20000111.6L1818 T1819 D1820 S1824 I1825 V1826 I1852L1818-V1822 VanDerWaalsContact O-CG2 3.26Å; L1818-V1822 WeakPolarHBondContact O-CG2 3.42Å; T1819-V1822 WeakPolarHBondContact O-CB 3.46Å; D1820-V1822 PolarHBondContact O-N 2.92Å; V1822-S1824 PolarHBondContact O-N 3.46Å; V1822-I1825 PolarHBondContact O-N 3.42Å; V1822-V1826 HydrophobicContact CG1-CG2 4.39Å; V1822-V1826 WeakPolarHBondContact O-CG2 3.49Å; V1822-V1826 PolarHBondContact O-N 2.76Å; V1822-V1826 VanDerWaalsContact O-N 3.11Å; V1822-I1852 HydrophobicContact CB-CG2 4.27Å; V1822-I1852 HydrophobicContact CG1-CD1 3.98Å; V1822-I1852 HydrophobicContact CG1-CG1 4.31Å; V1822-I1852 HydrophobicContact CG1-CG2 3.55Å; V1822-I1852 HydrophobicContact CG2-CG2 3.66Å
1823Q29.5Very low29Very low97 Ų97101 Ų10145%0.45353%0.528SS..Hα-helixtrans-59.6-35.9177.6-147120-61.200112T1819 D1820 N1827T1819-Q1823 PolarHBondContact O-N 2.92Å; D1820-Q1823 WeakPolarHBondContact O-CB 3.42Å; D1820-Q1823 PolarHBondContact O-N 3.15Å; D1820-Q1823 VanDerWaalsContact O-N 3.09Å; Q1823-N1827 PolarHBondContact O-N 3.05Å; Q1823-N1827 PolarHBondContact O-ND2 2.75Å; Q1823-N1827 VanDerWaalsContact O-ND2 3.15Å
1824S31.4Very low28.8Very low61 Ų6199.3 Ų99.343%0.42752%0.524SS..Hα-helixtrans-67.5-39176-172.70000113.8D1820 V1822D1820-S1824 PolarHBondContact O-N 3.31Å; V1822-S1824 PolarHBondContact O-N 3.46Å
1825I28.7Very low28.8Very low112 Ų11297.8 Ų97.857%0.57453%0.529SS*.Hα-helixtrans-75.7-40.1-177.8-68.1168.2000111.6N1821 V1822 N1827 K1828 S1829N1821-I1825 WeakPolarHBondContact O-CG1 3.37Å; N1821-I1825 PolarHBondContact O-N 3.15Å; V1822-I1825 PolarHBondContact O-N 3.42Å; I1825-N1827 PolarHBondContact O-N 3.01Å; I1825-K1828 PolarHBondContact O-N 2.81Å; I1825-S1829 PolarHBondContact O-OG 3.37Å
1826V28.6Very low28.9Very low61 Ų61101.3 Ų101.337%0.3754%0.542SS..Hα-helixtrans-61.7-44.8178.1171.90000110.9V1822 K1828 S1829 I1852V1822-V1826 HydrophobicContact CG1-CG2 4.39Å; V1822-V1826 WeakPolarHBondContact O-CG2 3.49Å; V1822-V1826 PolarHBondContact O-N 2.76Å; V1822-V1826 VanDerWaalsContact O-N 3.11Å; V1826-K1828 PolarHBondContact O-N 2.82Å; V1826-S1829 PolarHBondContact O-N 2.99Å; V1826-S1829 PolarHBondContact O-OG 3.31Å; V1826-I1852 HydrophobicContact CG2-CD1 3.85Å
1827N30.2Very low28.8Very low123 Ų123104.6 Ų104.666%0.65856%0.557SS**THydrogen-bonded Turntrans-70.2-11.4-176.7-73.1-24.8000114.9Q1823 I1825Q1823-N1827 PolarHBondContact O-N 3.05Å; Q1823-N1827 PolarHBondContact O-ND2 2.75Å; Q1823-N1827 VanDerWaalsContact O-ND2 3.15Å; I1825-N1827 PolarHBondContact O-N 3.01Å
1828K29.9Very low28.6Very low182 Ų182107.9 Ų107.979%0.79157%0.574SS**THydrogen-bonded Turntrans-102.39.9179.7-78.7179.3175.6170.20114.7I1825 V1826I1825-K1828 PolarHBondContact O-N 2.81Å; V1826-K1828 PolarHBondContact O-N 2.82Å
1829S27.8Very low28.6Very low84 Ų84108.3 Ų108.359%0.58759%0.59SS**SBendtrans-131.1-0.9-174.656.20000116.1I1825 V1826I1825-S1829 PolarHBondContact O-OG 3.37Å; V1826-S1829 PolarHBondContact O-N 2.99Å; V1826-S1829 PolarHBondContact O-OG 3.31Å
1830F26.3Very low28.8Very low180 Ų180109.7 Ų109.779%0.78960%0.6SS**  trans-126.352.1-170.5-107.8-86.9000114.6
1831V27.4Very low28.5Very low137 Ų137116 Ų11683%0.8363%0.633SS**  trans-134.970.3168.4-170.30000110.1
1832D25.2Very low28.1Very low116 Ų116118.9 Ų118.962%0.6265%0.649SS**SBendtrans-162.5131.8166.5-130.3-24.3000110.6
1833K26.5Very low28Very low91 Ų91125.2 Ų125.240%0.39668%0.675SS.*  trans71.3103.5179.4-53.8168.3-179173.70118.6F222F222-K1833 HydrophobicContact CZ-CD 4.09Å
1834A27.1Very low27.8Very low87 Ų87125.4 Ų125.472%0.71969%0.688SS**  trans-123.4-176.2138.200000108.6
1835D28Very low27.5Very low149 Ų149129.8 Ų129.880%0.79770%0.696SS**  trans84.985.8179.6-55.1-13.3000117.3
1836N30.5Very low27.2Very low157 Ų157129.2 Ų129.284%0.8469%0.691SS**  -168.7160.2111.5-121.648.2000111.7
1837E28.2Very low27.1Very low162 Ų162128.1 Ų128.176%0.75769%0.686SS**  trans-96.1140.6-170.7-52.7166.2122.800113.8
1838Q29.7Very low26.8Very low185 Ų185127 Ų12786%0.86469%0.687SS**  -178.7154.2126.3-116.583.985.500109
1839A27.1Very low26.6Very low90 Ų90124.9 Ų124.974%0.74468%0.68SS**  trans-119.5-176.9-17600000110.5
1840P32.9Very low26.6Very low110 Ų110122.3 Ų122.371%0.71466%0.658SS**  cis-132.2-150.1-4.229.1-3000112.7
1841D25.1Very low26.5Very low148 Ų148119.9 Ų119.979%0.79165%0.65SS**  trans107.6148.8160-57.9-2.6000117.4
1842D23.4Very low26.4Very low122 Ų122116.8 Ų116.865%0.65263%0.628SS**  trans-76167.6-157.9-76.5-71.1000117.5
1843H24.7Very low26.4Very low175 Ų175116.4 Ų116.481%0.8163%0.632SS**  trans86.7148.3167.5-54.3-78.4000119.2
1844S24Very low26.4Very low102 Ų102113.4 Ų113.471%0.71362%0.623SS**  trans66.8113.9170.474.20000117.8
1845Y25Very low26.4Very low153 Ų153111.7 Ų111.760%0.660%0.6SS**  trans-157.134.1156.8-115.2-54.1000116.1R1795 S1847R1795-Y1845 PolarHBondContact NH2-O 3.47Å; Y1845-S1847 VanDerWaalsContact C-N 3.27Å; Y1845-S1847 WeakPolarHBondContact CD1-OG 3.46Å; Y1845-S1847 PolarHBondContact O-N 2.79Å
1846E24.3Very low26.3Very low99 Ų99108.5 Ų108.546%0.46358%0.58SS.*  trans-75.558.6172.4-66.2-171.5174.700113.4G321 N322G321-E1846 VanDerWaalsContact C-OE2 3.24Å; N322-E1846 VanDerWaalsContact CB-OE2 3.3Å; N322-E1846 WeakPolarHBondContact CB-OE2 3.41Å; N322-E1846 PolarHBondContact N-OE2 3.18Å
1847S26Very low26.2Very low38 Ų38112.6 Ų112.627%0.26659%0.585SS.*  trans-141.432.7-164.258.80000118.3Y1845Y1845-S1847 VanDerWaalsContact C-N 3.27Å; Y1845-S1847 WeakPolarHBondContact CD1-OG 3.46Å; Y1845-S1847 PolarHBondContact O-N 2.79Å
1848C24.4Very low26.1Very low100 Ų100110.5 Ų110.568%0.67658%0.576SS**SBendtrans-121.9-12.6171.5-78.60000117.3Q1850C1848-Q1850 PolarHBondContact O-N 2.78Å
1849E25.5Very low25.9Very low137 Ų137110.5 Ų110.564%0.6457%0.568SS**SBendtrans-92.754.5-175.2-59.2-171143.300114.9R287 Q320R287-E1849 VanDerWaalsContact NH2-N 3.16Å; Q320-E1849 PolarHBondContact NE2-O 2.91Å; Q320-E1849 VanDerWaalsContact NE2-O 3.16Å
1850Q26.4Very low25.8Very low31 Ų31113 Ų11315%0.14558%0.578CS.*SBendtrans-144.7-23.1176-87.8-168.8-24.400118R287 M317 Q320 C1848 I1852R287-Q1850 VanDerWaalsContact CG-OE1 3.25Å; R287-Q1850 VanDerWaalsContact NE-OE1 3.13Å; M317-Q1850 PolarHBondContact SD-NE2 3.13Å; M317-Q1850 PolarHBondContact SD-OE1 2.9Å; Q320-Q1850 VanDerWaalsContact CD-NE2 3.31Å; C1848-Q1850 PolarHBondContact O-N 2.78Å; Q1850-I1852 PolarHBondContact O-N 2.73Å
1851E25Very low25.6Very low129 Ų129110.8 Ų110.860%0.60358%0.575SS**SBendtrans-83.929.9-177.3-71.4171.8129.300113.1K254K254-E1851 IonicContact NZ-OE1 3.84Å; K254-E1851 PolarHBondContact NZ-OE1 3.4Å; K254-E1851 IonicContact NZ-OE2 2.88Å; K254-E1851 PolarHBondContact NZ-OE2 3.36Å
1852I25.4Very low25.6Very low72 Ų72110.7 Ų110.737%0.36957%0.57SS.*SBendtrans-131.8-34.6-170.5-74171.2000112.7V1822 V1826 Q1850V1822-I1852 HydrophobicContact CB-CG2 4.27Å; V1822-I1852 HydrophobicContact CG1-CD1 3.98Å; V1822-I1852 HydrophobicContact CG1-CG1 4.31Å; V1822-I1852 HydrophobicContact CG1-CG2 3.55Å; V1822-I1852 HydrophobicContact CG2-CG2 3.66Å; V1826-I1852 HydrophobicContact CG2-CD1 3.85Å; Q1850-I1852 PolarHBondContact O-N 2.73Å
1853C25.6Very low25.7Very low107 Ų107113 Ų11372%0.72358%0.582SS**THydrogen-bonded Turntrans-96.318.1-172.2-60.30000115.3N310N310-C1853 PolarHBondContact ND2-O 3.35Å
1854S26.5Very low25.8Very low28 Ų28113.1 Ų113.120%0.19658%0.583CS.*THydrogen-bonded Turntrans-1184.8179.550.20000114.3D277D277-S1854 WeakPolarHBondContact OD1-CB 3.27Å; D277-S1854 PolarHBondContact OD1-OG 3.3Å
1855H26.7Very low26.1Very low52 Ų52112.6 Ų112.624%0.24158%0.584CS.*SBendtrans-130.321.9-169.6-136-63.1000116.6R276 D277R276-H1855 WeakPolarHBondContact CD-NE2 3.43Å; R276-H1855 VanDerWaalsContact CZ-NE2 3.29Å; R276-H1855 PolarHBondContact NE-CD2 2.91Å; R276-H1855 PolarHBondContact NE-NE2 3.04Å; R276-H1855 PolarHBondContact NH2-CD2 3.21Å; R276-H1855 VanDerWaalsContact NH2-CD2 3.31Å; R276-H1855 PolarHBondContact NH2-NE2 3.4Å; D277-H1855 IonicContact OD1-CD2 3.17Å; D277-H1855 PolarHBondContact OD1-CD2 3.37Å
1856H26.2Very low26.2Very low81 Ų81111.5 Ų111.538%0.37559%0.594SS.*SBendtrans-133.334.3174-101.453.4000114L1818L1818-H1856 HydrophobicContact CD2-CB 3.62Å
1857Y27.3Very low26.3Very low243 Ų243119 Ų11995%0.95362%0.618SS**SBendtrans-11325.6156.8-119.8-81.1000111.5
1858Q26.4Very low26.4Very low119 Ų119120.4 Ų120.456%0.55664%0.638SS**SBendtrans-156.259-171.4-152.716124.800111.5
1859R25.3Very low26.6Very low184 Ų184125.7 Ų125.769%0.69465%0.65SS**  trans-149.7-7.8167.5-132.9174.9-173.6-169.8-3.8117.3G1861R1859-G1861 PolarHBondContact O-N 3.34Å
1860C25.4Very low26.6Very low143 Ų143125 Ų12597%0.96666%0.66SS**THydrogen-bonded Turntrans-83.159165.7-56.40000110.4
1861G28Very low26.6Very low63 Ų63127.6 Ų127.665%0.64969%0.687SS**THydrogen-bonded Turntrans-175.816-17300000115.9R1859R1859-G1861 PolarHBondContact O-N 3.34Å
1862E25.5Very low26.7Very low147 Ų147128.5 Ų128.569%0.68770%0.695SS**SBendtrans-139.357.5176.2-70.3-172.2155.600110.8
1863L26.6Very low26.7Very low171 Ų171133.6 Ų133.690%0.89572%0.718SS**SBendtrans-140-0.3157.5-118.9174.5000114.5
1864E27Very low26.8Very low177 Ų177135.6 Ų135.683%0.82772%0.721SS**SBendtrans-110.1166.5145-66.6-161.8128.900108.9
1865A29.8Very low26.9Very low90 Ų90140.8 Ų140.874%0.74475%0.752SS**  trans69.127.1174.800000119.3W1867A1865-W1867 PolarHBondContact O-N 3.01Å
1866T27.3Very low27.2Very low131 Ų131143.8 Ų143.880%0.80478%0.776SS**SBendtrans-85.629.8149.952.90000113.8
1867W25.5Very low27.3Very low257 Ų257144.5 Ų144.597%0.97379%0.79SS**SBendtrans-124.991.1158.1-89.42.8000107.3A1865A1865-W1867 PolarHBondContact O-N 3.01Å
1868G28.5Very low27.3Very low66 Ų66138.1 Ų138.168%0.6878%0.779SS**  trans-163.227.8-158.900000120.4
1869K29Very low27.3Very low212 Ų212138.9 Ų138.992%0.92279%0.787SS**  trans57.6105.2163.8-61177.9-179.6173.90119.4
1870S24.7Very low27.4Very low122 Ų122135.8 Ų135.885%0.85379%0.789SS**  -146.5140.5128.476.70000107.8
1871A26.8Very low27.4Very low86 Ų86134.1 Ų134.171%0.71178%0.779SS**  cis-149.3160.9-4.300000110.9
1872D26.1Very low27.2Very low147 Ų147134 Ų13479%0.78678%0.778SS**  trans20.1102.9154.4-51.8-30000120.4
1873Q25.6Very low27.3Very low179 Ų179137.3 Ų137.384%0.83679%0.791SS**  176.3154.4105.6-93165.71100114
1874D28.9Very low27.3Very low149 Ų149136 Ų13680%0.79778%0.779SS**  trans67.271.7159.4-58.7-5.5000122.4
1875V28.2Very low27.2Very low138 Ų138133.6 Ų133.684%0.83678%0.777SS**  -19.6153.7128163.90000116
1876P33.7Very low27.2Very low115 Ų115136.2 Ų136.275%0.74778%0.779SS**  cis-131.8-163.12135.3-11.1000114.4
1877S28.3Very low27.2Very low95 Ų95138.7 Ų138.766%0.66478%0.778SS**  cis-165.1149.211.71.30000113.1
1878C27.1Very low27Very low109 Ų109131.7 Ų131.774%0.73676%0.764SS**  trans63.6158.5142.6-62.30000120.5
1879D27Very low26.9Very low135 Ų135136.8 Ų136.872%0.72277%0.77SS**  cis-175.4161.4-18.8-92.1-16.5000106.8
1880T26.3Very low26.7Very low119 Ų119134.1 Ų134.173%0.7376%0.761SS**  cis-159.5-172.1-10.426.10000109.7
1881S25.2Very low26.8Very low108 Ų108135.1 Ų135.176%0.75575%0.749SS**  trans-34.4157163.3530000117.1
1882G24.3Very low26.8Very low62 Ų62138.7 Ų138.764%0.63975%0.752SS**  cis103.4115.414.100000113
1883F26.9Very low26.7Very low215 Ų215138.1 Ų138.194%0.94375%0.753SS**  trans-169.4142.5164-111.4-70.6000112.3
1884H26.9Very low26.8Very low143 Ų143134.6 Ų134.666%0.66275%0.747SS**  trans-72.8141.5173.8-103.2-29.5000113.4E927E927-H1884 IonicContact OE2-CD2 2.73Å; E927-H1884 PolarHBondContact OE2-CD2 2.97Å; E927-H1884 IonicContact OE2-CE1 3.56Å; E927-H1884 IonicContact OE2-NE2 3.37Å; E927-H1884 PolarHBondContact OE2-NE2 3.11Å
1885V25.7Very low26.5Very low128 Ų128136.6 Ų136.678%0.77675%0.748SS**  trans-147.6122.5147.3-179.30000109.7
1886D28.5Very low26.3Very low145 Ų145135.5 Ų135.578%0.77574%0.742SS**  trans-65.5137.4171.3172.326.5000112
1887K27.3Very low25.9Very low182 Ų182136 Ų13679%0.79174%0.743SS**  trans-157.5117166.4-121.5165-168.7173.30115.8
1888T23.3Very low25.7Very low111 Ų111138.3 Ų138.368%0.68175%0.747SS**  trans-48.2153155.9470000114.6
1889H25.9Very low25.6Very low173 Ų173140.3 Ų140.380%0.80175%0.75SS**  trans53109.3165.6-77.4-83.6000118
1890E25Very low25.5Very low156 Ų156137.1 Ų137.173%0.72975%0.749SS**  178.8157.3109.9-92.3-165.314900109.2
1891K26.1Very low25.4Very low142 Ų142136.8 Ų136.862%0.61775%0.752SS**  cis-169.6-175.1-30.5-114.1178.8-154.3154.70106.2
1892Q25.9Very low25.4Very low162 Ų162138.7 Ų138.776%0.75775%0.754SS**  trans-22.9135.5165.4-78.580.2-7.200114.8
1893V25.7Very low25.5Very low135 Ų135141.1 Ų141.182%0.81875%0.748SS**SBendcis-135.5143.621.9175.40000108.9
1894C26.4Very low25.2Very low104 Ų104133.7 Ų133.770%0.70372%0.717SS**  cis-129.8167.87.1-151.50000112.6
1895K23.7Very low25.2Very low191 Ų191131.5 Ų131.583%0.8371%0.705SS**  trans-164.9111.2168.8-178.3177-179.51770109.5
1896T24Very low25Very low116 Ų116130.9 Ų130.971%0.71270%0.696SS**  trans-159.5126.4174.520.50000109.5
1897V24.4Very low24.7Very low124 Ų124129.3 Ų129.375%0.75270%0.696SS**  trans56.2112.5161.2-1710000115.7D1899V1897-D1899 WeakPolarHBondContact CG1-O 3.37Å
1898L24.6Very low24.6Very low145 Ų145124.8 Ų124.876%0.75969%0.692SS**  cis53108.29.4-76175.2000116.5
1899D23.9Very low24.6Very low151 Ų151127 Ų12781%0.80769%0.694SS**  trans78.1125.7173.8-47.4-28.9000116.7V1897V1897-D1899 WeakPolarHBondContact CG1-O 3.37Å
1900G25.5Very low24.5Very low68 Ų68123.9 Ų123.970%0.70168%0.68SS**  trans111.869.6157.400000119.5
1901S24.5Very low24.5Very low112 Ų112127.4 Ų127.478%0.78369%0.688SS**  trans60.7159.314956.30000121.6
1902N24.3Very low24.5Very low148 Ų148125.7 Ų125.779%0.79168%0.682SS**  trans77.1152.2166-69.9-2.2000120.9
1903E26.1Very low24.3Very low113 Ų113129.2 Ų129.253%0.52869%0.688SS.*  trans65.2103.4166-64.8-161.1-147.500122.1K1905E1903-K1905 IonicContact OE2-NZ 2.71Å; E1903-K1905 PolarHBondContact OE2-NZ 2.98Å
1904E22.5Very low24.1Very low59 Ų59129.1 Ų129.128%0.27669%0.692SS.*  56.3-176108.1-53.9-149.2136.700121.5I1442 K1444 R1495I1442-E1904 HydrophobicContact CD1-CB 4.15Å; I1442-E1904 HydrophobicContact CD1-CG 4.04Å; I1442-E1904 WeakPolarHBondContact CD1-OE1 3.35Å; I1442-E1904 HydrophobicContact CG1-CB 3.49Å; I1442-E1904 VanDerWaalsContact CG1-CB 3.49Å; I1442-E1904 HydrophobicContact CG1-CG 3.61Å; K1444-E1904 PolarHBondContact NZ-O 3.07Å; R1495-E1904 IonicContact CZ-OE1 2.69Å; R1495-E1904 IonicContact NH2-OE1 3.31Å; R1495-E1904 PolarHBondContact NH2-OE1 3.35Å
1905K25.1Very low24.1Very low96 Ų96128 Ų12842%0.41770%0.698SS.*  trans71.7109.5152.3-69167.5-174.781.80120.9G1441 E1903G1441-K1905 CarbonylContact O-C 3.47Å; G1441-K1905 WeakPolarHBondContact O-CA 3.42Å; G1441-K1905 PolarHBondContact O-N 3.45Å; E1903-K1905 IonicContact OE2-NZ 2.71Å; E1903-K1905 PolarHBondContact OE2-NZ 2.98Å
1906I23Very low24Very low115 Ų115127.5 Ų127.559%0.5970%0.699SS**  79.4123.4121-67.9169.5000119.3G1441G1441-I1906 PolarHBondContact O-N 2.99Å
1907C22.4Very low24Very low113 Ų113129.4 Ų129.476%0.76470%0.704SS**  trans48.3142.4152.6-62.10000120.2
1908A24.5Very low24Very low86 Ų86131.3 Ų131.371%0.71171%0.705SS**  cis74147.936.400000115.4
1909H23.1Very low23.9Very low159 Ų159128.7 Ų128.774%0.73670%0.704SS**  trans80.9138170.9-100.5-89.7000121.9
1910H23.2Very low23.9Very low107 Ų107127.3 Ų127.350%0.49570%0.701SS.*  trans67.5108.7162.9-59.7123.8000117.7Q1912H1910-Q1912 HydrophobicContact CB-CB 4.21Å
1911Y25.3Very low23.8Very low229 Ų229136.3 Ų136.390%0.89871%0.714SS**SBend-109.916360.5-97-98.7000116.6
1912Q25.7Very low23.8Very low106 Ų106133.9 Ų133.950%0.49571%0.706SS.*  -176.9129.9-74.6173.5168.354.800110.6H1910H1910-Q1912 HydrophobicContact CB-CB 4.21Å
1913R23.5Very low23.7Very low236 Ų236137.3 Ų137.389%0.89171%0.714SS**  trans72.7144.4-170.6-57.4166.5171.2154.1-3.5114
1914C21.2Very low23.6Very low133 Ų133135.3 Ų135.390%0.89973%0.725SS**SBendcis-103.4144.5-7.2-73.10000110.8
1915G26Very low23.7Very low80 Ų80136.7 Ų136.783%0.82575%0.746SS**SBendtrans171.6-12.7-174.900000115.7
1916E22.6Very low23.7Very low181 Ų181139.3 Ų139.385%0.84676%0.764SS**  trans-128.7111.1169.5-69-172.9142.500110
1917L23.8Very low23.8Very low157 Ų157138.8 Ų138.882%0.82277%0.771SS**  trans-162.9132.7142.6-108.6169.7000110
1918E23.6Very low24Very low164 Ų164140.1 Ų140.177%0.76677%0.771SS**  trans56.971.7159.4-72.2169.1-165.300118.5
1919A23.4Very low24.1Very low89 Ų89142.6 Ų142.674%0.73677%0.77SS**  -57.5150.6125.900000109.7
1920T22.9Very low24.5Very low122 Ų122139.2 Ų139.275%0.74876%0.763SS**  trans74.287.617976.30000117.4
1921W23.6Very low24.7Very low257 Ų257144.2 Ų144.297%0.97378%0.783SS**  -150.2145.595.8-77.8-4.6000108
1922G23.7Very low24.8Very low61 Ų61136.5 Ų136.563%0.62977%0.773SS**  cis120.486.2-2.900000112.7
1923K23.5Very low24.8Very low220 Ų220136.8 Ų136.896%0.95779%0.787SS**  trans74.1151.1-171-45.8157.1-171.9173.90112.1
1924G23.7Very low25.1Very low72 Ų72131.3 Ų131.374%0.74278%0.78SS**  cis147.8150.5-4.100000111.4
1925A23.7Very low25.3Very low88 Ų88131 Ų13173%0.72777%0.774SS**  trans38.6116.3165.800000120.4
1926D24.9Very low25.5Very low150 Ų150132.6 Ų132.680%0.80277%0.772SS**  trans71.7138.9142.2-53.2-30.2000122.9
1927S25Very low25.7Very low104 Ų104133 Ų13373%0.72777%0.771SS**  trans81.2113.4149.468.10000122.5
1928D26.7Very low25.7Very low142 Ų142132 Ų13276%0.75977%0.766SS**  90.287.7115.8-68.44.4000126.2
1929I26.3Very low25.8Very low137 Ų137132.9 Ų132.970%0.70377%0.767SS**  trans70.8-179.5130.3-5.8-177000119.3
1930P32.9Very low25.9Very low89 Ų89134.4 Ų134.458%0.57877%0.768SS**  -139.6-172.6-107.548-30.6000121
1931F26.6Very low26.1Very low212 Ų212132.8 Ų132.893%0.9376%0.761SS**  trans74145.1151.4-76-56.1000121.5
1932G27.5Very low26.2Very low66 Ų66129 Ų12968%0.6876%0.755SS**  trans-166.8-23.517700000126.1
1933S26.9Very low26.3Very low112 Ų112135 Ų13578%0.78376%0.763SS**  trans69156.5164800000124.1
1934T29.1Very low26.4Very low122 Ų122132.2 Ų132.275%0.74876%0.759SS**  trans63.6144161.257.30000121
1935T25.9Very low26.4Very low126 Ų126136.9 Ų136.977%0.77376%0.761SS**  cis150.9113.4-31.743.20000110
1936S29.3Very low26.5Very low113 Ų113140 Ų14079%0.7976%0.761SS**  trans177.8120.613957.50000115.9
1937K26.2Very low26.4Very low190 Ų190139.5 Ų139.583%0.82676%0.756SS**  35.7132.5126.7-72.9178.4-179176.80119.5
1938L25.4Very low26.5Very low136 Ų136142.1 Ų142.171%0.71276%0.76SS**  cis-152152.118.5-79.4109.2000112.8
1939K25.7Very low26.9Very low182 Ų182140 Ų14079%0.79176%0.755SS**  trans46.7141.7141.8-64-175174.4-168.70120.4
1940T25.2Very low26.8Very low122 Ų122140.9 Ų140.975%0.74876%0.759SS**  cis-176150.2-8.724.50000105.6
1941S26.4Very low26.5Very low87 Ų87140.7 Ų140.761%0.60877%0.765SS**  cis-174.1134.5-10.544.40000109.5
1942E25.5Very low26.4Very low179 Ų179138.9 Ų138.984%0.83676%0.759SS**  trans54.5126.7145-60.2168.1-149.600118.5
1943K25.6Very low26.4Very low185 Ų185139.1 Ų139.180%0.80476%0.762SS**  cis-151.6137.731-62.1169.4-178.8170.10111.3
1944D25.4Very low26.4Very low163 Ų163141.4 Ų141.487%0.87276%0.764SS**  trans-142.3176.5162.1-75.8-55.1000109.7
1945E25.2Very low26.3Very low169 Ų169141.5 Ų141.579%0.7976%0.764SS**  trans-58.5173.5-166.5-65.5168.5136.200120.5
1946E24.5Very low26.2Very low155 Ų155140.4 Ų140.472%0.72476%0.759SS**  trans73.1120.7146.9-79.7-176.1162.700125.3
1947M23.9Very low26Very low139 Ų139139.6 Ų139.669%0.68575%0.753SS**  41.1109.3129.6-62-158.8-73.900123.8
1948L27.2Very low25.8Very low158 Ų158136.2 Ų136.283%0.82774%0.741SS**  59.2178.5122.6-70.2172.4000120.1
1949P34.1Very low25.7Very low99 Ų99133.4 Ų133.464%0.64372%0.724SS**  cis-130.7-162.5-29.622.32.7000113.7
1950I24Very low25.5Very low155 Ų155126.8 Ų126.880%0.79570%0.7SS**  trans91.5138.9151.2-45.1-173.9000120.1
1951A26.2Very low25.4Very low85 Ų85124.4 Ų124.470%0.70269%0.686SS**  trans76.7143.4160.700000120.9
1952Q25.2Very low25.2Very low173 Ų173123.8 Ų123.881%0.80867%0.671SS**  cis-177138.2-34.8-120.7178.210.700108.9
1953G26.6Very low25.2Very low71 Ų71117.1 Ų117.173%0.73264%0.642SS**  trans99.7141.215600000118.9
1954I27.6Very low25.3Very low161 Ų161113 Ų11383%0.82662%0.622SS**  trans66.591.6165.2-52.4175000113.6
1955V26.4Very low25Very low123 Ų123107.9 Ų107.975%0.74559%0.592SS**  62127.162.6-173.60000111.7
1956P24.9Very low25Very low103 Ų103104.8 Ų104.867%0.66958%0.58SS**  cis-87.8173.98.114.87000110.8
1957S24.2Very low25.2Very low96 Ų96100.4 Ų100.467%0.67157%0.567SS**  53.9152.751.1980000113.5
1958E21.9Very low25.2Very low120 Ų12098.8 Ų98.856%0.56156%0.561SS**  trans63.6138.6-170.6-55.2-166.9171.900112.2R111R111-E1958 IonicContact CZ-OE1 2.74Å; R111-E1958 IonicContact NH1-OE1 3.77Å; R111-E1958 PolarHBondContact NH1-OE1 2.67Å; R111-E1958 IonicContact NH1-OE2 2.7Å; R111-E1958 PolarHBondContact NH1-OE2 3.38Å; R111-E1958 IonicContact NH2-OE1 3.17Å
1959Q23.5Very low25.1Very low77 Ų7798.9 Ų98.936%0.3656%0.557SS.*  cis-159.6152.9-6.4-104.9140.114.100105.2Q112Q112-Q1959 VanDerWaalsContact CB-OE1 3.29Å; Q112-Q1959 VanDerWaalsContact OE1-OE1 3.12Å
1960S22.1Very low24.7Very low43 Ų4399.4 Ų99.430%0.30156%0.559SS.*  cis-169.8177.2-11.444.20000108.4E147 Y1962E147-S1960 VanDerWaalsContact CB-O 3.25Å; E147-S1960 WeakPolarHBondContact CB-O 3.41Å; E147-S1960 WeakPolarHBondContact OE1-CB 3.02Å; E147-S1960 PolarHBondContact OE1-OG 2.98Å; S1960-Y1962 PolarHBondContact O-N 3.14Å
1961T22.4Very low24.6Very low72 Ų72100.3 Ų100.344%0.44256%0.56SS.*  trans19.8-111.2177.8-16.60000119.1A114 E147 I1239 T1963A114-T1961 PolarHBondContact O-OG1 3.46Å; E147-T1961 VanDerWaalsContact OE1-CB 3.29Å; E147-T1961 WeakPolarHBondContact OE1-CB 3.49Å; E147-T1961 PolarHBondContact OE1-N 3.26Å; E147-T1961 PolarHBondContact OE1-OG1 2.98Å; E147-T1961 WeakPolarHBondContact OE2-CB 3.22Å; E147-T1961 PolarHBondContact OE2-OG1 2.92Å; I1239-T1961 HydrophobicContact CD1-CG2 4.13Å; T1961-T1963 HydrophobicContact CG2-CG2 4.37Å
1962Y23.2Very low24.4Very low74 Ų74101.1 Ų101.129%0.2956%0.556SS.*  cis-79.6136-10.9-171.3-96.2000113.4E147 D148 S1960 R1964 Q1965E147-Y1962 HydrophobicContact CB-CD2 3.86Å; E147-Y1962 HydrophobicContact CG-CD2 3.65Å; E147-Y1962 HydrophobicContact CG-CE2 4.36Å; E147-Y1962 WeakPolarHBondContact OE2-CA 3.49Å; E147-Y1962 WeakPolarHBondContact OE2-CD2 3.36Å; D148-Y1962 HydrophobicContact CB-CD2 4.31Å; D148-Y1962 HydrophobicContact CB-CE2 4.35Å; D148-Y1962 VanDerWaalsContact CG-CD2 3.46Å; D148-Y1962 VanDerWaalsContact CG-CE2 3.45Å; D148-Y1962 WeakPolarHBondContact OD1-CD1 3.31Å; D148-Y1962 WeakPolarHBondContact OD1-CD2 3.5Å; D148-Y1962 WeakPolarHBondContact OD2-CE1 3.41Å; D148-Y1962 WeakPolarHBondContact OD2-CE2 3.39Å; D148-Y1962 PolarHBondContact OD2-OH 3.47Å; S1960-Y1962 PolarHBondContact O-N 3.14Å; Y1962-R1964 VanDerWaalsContact CE1-N 3.25Å; Y1962-R1964 VanDerWaalsContact OH-C 3.25Å; Y1962-Q1965 PolarHBondContact OH-N 3.1Å; Y1962-Q1965 PolarHBondContact OH-O 2.86Å
1963T24.1Very low24.3Very low39 Ų3998.8 Ų98.824%0.23955%0.554CS.*  trans-150.7135.2149.757.80000110.9T1961T1961-T1963 HydrophobicContact CG2-CG2 4.37Å
1964R27.9Very low24.2Very low99 Ų99100.2 Ų100.237%0.37455%0.553SS.*  trans62.9117.8167.6-26.3115.474.11717115.9K1197 T1269 Y1962K1197-R1964 HydrophobicContact CD-CB 4.46Å; K1197-R1964 HydrophobicContact CD-CG 3.82Å; K1197-R1964 HydrophobicContact CG-CG 4.33Å; T1269-R1964 VanDerWaalsContact OG1-CZ 3.26Å; T1269-R1964 PolarHBondContact OG1-NH2 3.14Å; Y1962-R1964 VanDerWaalsContact CE1-N 3.25Å; Y1962-R1964 VanDerWaalsContact OH-C 3.25Å
1965Q20.3Very low24Very low55 Ų5597.4 Ų97.426%0.25755%0.547SS..  -161.6127114.1-89.2121.937.700106T115 F117 Y1962T115-Q1965 PolarHBondContact OG1-NE2 2.8Å; T115-Q1965 PolarHBondContact OG1-OE1 3.35Å; F117-Q1965 HydrophobicContact CZ-CB 4.47Å; Y1962-Q1965 PolarHBondContact OH-N 3.1Å; Y1962-Q1965 PolarHBondContact OH-O 2.86Å
1966L24.6Very low24Very low103 Ų103100.4 Ų100.454%0.53955%0.55SS.*  cis-129.2171.524.3-55.3110.3000109.8K1197 D1968K1197-L1966 PolarHBondContact NZ-O 3.05Å; L1966-D1968 HydrophobicContact CD2-CB 4.18Å; L1966-D1968 VanDerWaalsContact CD2-CG 3.4Å; L1966-D1968 WeakPolarHBondContact CD2-OD2 3.21Å
1967S28.8Very low24Very low63 Ų63100.4 Ų100.444%0.44155%0.553SS.*  cis64.850.1-3963.30000118.7K1197K1197-S1967 PolarHBondContact NZ-OG 3.23Å; K1197-S1967 VanDerWaalsContact NZ-OG 3.16Å
1968D23.3Very low24.3Very low105 Ų105105.5 Ų105.556%0.56156%0.563SS**  -98.5157.3123.8-73-12.9000105.5L1966L1966-D1968 HydrophobicContact CD2-CB 4.18Å; L1966-D1968 VanDerWaalsContact CD2-CG 3.4Å; L1966-D1968 WeakPolarHBondContact CD2-OD2 3.21Å
1969E26.1Very low25Very low160 Ų160105.1 Ų105.175%0.74857%0.571SS**  cis-150.6130.2-8.6-123.5176.117100106.7
1970T24.6Very low25.1Very low110 Ų110105.7 Ų105.768%0.67559%0.589SS**  2.1119.3109.947.60000113.7
1971E22.7Very low25.4Very low175 Ų175111 Ų11182%0.81861%0.613SS**  -140.2136.553.9-65.6-176.5146.900110.7
1972T22.9Very low25.5Very low102 Ų102112.6 Ų112.663%0.62662%0.623SS**  54128.365.762.50000115.9
1973T23.4Very low25.7Very low123 Ų123118.4 Ų118.476%0.75565%0.65SS**  trans54.5101.8157.952.70000117.9
1974S23.2Very low25.9Very low101 Ų101121.4 Ų121.471%0.70667%0.673SS**  61.689.279.679.70000116.7
1975S23.8Very low25.8Very low102 Ų102123.7 Ų123.771%0.71369%0.691SS**  trans80.7147.5145.786.50000121.4
1976K25.8Very low26Very low186 Ų186129 Ų12981%0.80972%0.716SS**  trans82.976.2155.4-64.1171.6-175.7171.60120.9
1977S25.7Very low26Very low103 Ų103131.6 Ų131.672%0.7273%0.731SS**  67.8120.1113.766.10000123.6
1978K30.3Very low25.8Very low204 Ų204132.6 Ų132.689%0.88774%0.743SS**  trans73.5161.9140-82.2-169.3175.7-176.40118.6
1979P36.3Very low25.8Very low112 Ų112135.1 Ų135.173%0.72775%0.753SS**  cis-129.3167.47.441.2-26.5000117.5
1980A25.9Very low25.7Very low89 Ų89134.8 Ų134.874%0.73675%0.751SS**  trans66.4149.5157.500000117.4
1981N28.9Very low25.8Very low153 Ų153136.9 Ų136.982%0.81875%0.754SS**  cis-113.5148.617.1-79-37.9000115.7
1982T24Very low25.9Very low106 Ų106134 Ų13465%0.6575%0.753SS**  trans-14.1146.4150.757.60000117.8
1983F28Very low26Very low196 Ų196133.5 Ų133.586%0.8675%0.753SS**  cis-135.1160.734.4-97.6-93.7000115.2
1984S26.8Very low26.3Very low102 Ų102133.3 Ų133.371%0.71376%0.757SS**  trans-92.7159.5170.1-57.50000112.1
1985I26.5Very low26.5Very low148 Ų148133 Ų13376%0.75976%0.755SS**  trans170106.2137.5-90154.7000104.2
1986E25Very low26.8Very low166 Ų166133.1 Ų133.178%0.77676%0.755SS**  69.7131.779.1-72.3-178.3156.900113.2
1987D24.4Very low27Very low158 Ų158128.8 Ų128.885%0.84575%0.749SS**  trans3.3167159.5-67.1-42.7000123.2
1988A24.2Very low27.1Very low84 Ų84131.1 Ų131.169%0.69475%0.748SS**  trans77.5112.2177.400000113.1
1989M23.7Very low27.2Very low157 Ų157127 Ų12777%0.77373%0.732SS**  63.3129.684-69.7-179.264.200113.6
1990Q24.7Very low26.9Very low154 Ų154129 Ų12972%0.7273%0.73SS**  trans67.2152.7170.4-55.2165.39.500113.2
1991Q25.3Very low27.1Very low154 Ų154132.2 Ų132.272%0.7273%0.733SS**  cis-172.5146.8-19.1-107.1169.410.200103
1992S25Very low27.2Very low114 Ų114131 Ų13180%0.79773%0.732SS**  trans63.7159.6157.878.70000116.2
1993S26.2Very low27.6Very low92 Ų92135.4 Ų135.464%0.64374%0.742SS**  cis-170.5156-25.746.10000109.4
1994S28.3Very low27.8Very low118 Ų118131.1 Ų131.183%0.82573%0.732SS**  trans69.4155.3156.981.40000116
1995S28.6Very low28.1Very low96 Ų96133.1 Ų133.167%0.67173%0.733SS**  cis-145.6142.37.359.10000112.2
1996S28.5Very low28.2Very low103 Ų103132.9 Ų132.972%0.7273%0.732SS**  trans30.7122.6142.159.80000118.4
1997S29.9Very low28.3Very low95 Ų95129.4 Ų129.466%0.66473%0.726SS**  cis-176.7169.446.1-93.70000109.2
1998Q29.1Very low28.4Very low152 Ų152130.5 Ų130.571%0.7172%0.723SS**  cis-171.6155.5-14.3-106175.5-80.100106.6
1999E31.6Very low28.6Very low119 Ų119134.1 Ų134.156%0.55673%0.725SS**  cis-162.3177.9-16.4-134.5-178.7158.100110.3
2000K30.5Very low28.7Very low154 Ų154132 Ų13267%0.6772%0.721SS**  trans22.5127.4155.5-62.7148.1178.3149.70120.1
2001L31.1Very low28.7Very low156 Ų156133.5 Ų133.582%0.81773%0.725SS**  cis56.3115.42.8-103.8172.4000118.4
2002T29.6Very low28.6Very low127 Ų127131 Ų13178%0.77973%0.725SS**  148.4132.7126.646.50000115.1
2003K33.1Very low28.8Very low199 Ų199131 Ų13187%0.86572%0.716SS**  trans178.8143.9145.2-100.3178.8-177.9-179.20107.6
2004T32.6Very low28.9Very low106 Ų106135 Ų13565%0.6572%0.722SS**  cis-168.9139.4-12.3-146.70000112.8
2005I31.6Very low28.9Very low144 Ų144132.8 Ų132.874%0.73872%0.717SS**  trans65.7152.7145.1-68.5168.2000120.2
2006I29.2Very low28.8Very low142 Ų142135.1 Ų135.173%0.72872%0.718SS**  cis-171147.6-38.2-127.3166.6000112
2007S26.8Very low28.7Very low93 Ų93135 Ų13565%0.6571%0.708SS**  trans60126.7154.774.10000126.1
2008K27Very low28.7Very low182 Ų182138.7 Ų138.779%0.79171%0.712SS**  48.3120.5127.8-55.1174.2179.3178.90121.8
2009H27.7Very low28.7Very low159 Ų159138 Ų13874%0.73671%0.712SS**  170.1155.797.8-102.6-78.4000113.4
2010T25.6Very low28.6Very low113 Ų113139 Ų13969%0.69372%0.72SS**  trans52.9109.9154.446.20000119.4
2011K25.2Very low28.5Very low186 Ų186138.2 Ų138.281%0.80972%0.723SS**  85.6129.685.5-86.2-169.1169.2-167.80114.4
2012S24.6Very low28.3Very low100 Ų100137.1 Ų137.170%0.69972%0.717SS**  trans54.5133.9150.252.10000118.7
2013D27.9Very low28.2Very low116 Ų116137.8 Ų137.862%0.6271%0.714SS**  cis-136.5161.310-90.3-68.8000109.9
2014K27.7Very low27.9Very low176 Ų176133.7 Ų133.777%0.76570%0.703SS**  37.6127.5111.9-43.5171.6-172.4123.80114.4
2015G29.1Very low27.6Very low71 Ų71135.6 Ų135.673%0.73271%0.707SS**  98154.355.700000109.3
2016E26.3Very low27.3Very low145 Ų145135 Ų13568%0.67871%0.705SS**  cis-169.4139.67.9-109.5171.5147.600109.7
2017I25.7Very low27.1Very low101 Ų101134.4 Ų134.452%0.51870%0.703SS.*  trans76.483.5147.5-52.1158.1000119.9P1779 D1780 V1781P1779-I2017 CarbonylContact C-O 3.58Å; P1779-I2017 CarbonylContact O-C 3.59Å; D1780-I2017 CarbonylContact C-O 3.53Å; D1780-I2017 WeakPolarHBondContact CA-O 3.44Å; D1780-I2017 PolarHBondContact N-O 3.29Å; V1781-I2017 VanDerWaalsContact C-C 3.49Å; V1781-I2017 VanDerWaalsContact N-C 3.34Å; V1781-I2017 PolarHBondContact N-O 3.2Å
2018K31.7Very low27.1Very low171 Ų171138.2 Ų138.274%0.74371%0.708SS**  -153.70123.6-97-179.4-178158.40107P1779 D1780 V1781 S1782P1779-K2018 WeakPolarHBondContact O-CG 3.49Å; D1780-K2018 WeakPolarHBondContact OD1-CE 3.15Å; D1780-K2018 IonicContact OD1-NZ 3.95Å; D1780-K2018 PolarHBondContact OD1-NZ 2.88Å; D1780-K2018 WeakPolarHBondContact OD2-CE 3.22Å; D1780-K2018 IonicContact OD2-NZ 2.66Å; D1780-K2018 PolarHBondContact OD2-NZ 3.44Å; V1781-K2018 VanDerWaalsContact N-CG 3.3Å; S1782-K2018 WeakPolarHBondContact CA-O 3.25Å; S1782-K2018 PolarHBondContact N-O 3.04Å

Retrieved 2,018 of 2,018 residues in 4882.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).