A0A5K4F8D2_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8D2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,032 aa.

>A0A5K4F8D2_SCHMA|A0A5K4F8D2
MTKSSDDRKTTNQLSETEQNFLRAARAGDLSKVVELLNAGVHINLSNSIGLTALHLASKEGRVHVVDELLRRGADFDAPTKKGNTALHISSLAGHYEVVKLLLDSGANINRQSATGFTPLYMAAQENRLNVVDLLLQRGANQALTTEDGFTPLAIALQQGHDRVVAHLLERDSRSRGGLPALHIAARKDDANAVSLLLNNAEVNVNHQSQPGFTPLHTAAHFGNVTVARVLIERGADVNFQAKNNITPLHVAAKWGRGGMVQLLLNSNALVDCRTRDGLTPLHCAARSGHAELASLLMGAGANPSAKTRNGLTPLHMAAQGNNEEVARVLILRGASVADRTGDSLTPLHVAAHCGNTEVARILLDNGCDVNARALNGFTPLHIACKKQKIRVIELLLQYDAQINMTTESGLSPLHVAAFIGGPEIVQLLIQHGANVNQATMRCETALHLAVRNRQVSVAETLIYHGASVNAKARDEQTPLHVACLTGTPELIAVLLSCKANPNLPARDGYTALHIACKEGRHDLLGQLLEAGADLNARTKKGFTALHLAAKRGHVKVAKQLIQAQPKSVNAIGQNDLTPLHIATHYNRLPVVQLLLDNNAQVDCRAGNGYTSLHMAAKQNHLDIATLLLAHESDQIQIANSSSRSGFTPLHLAAQEGHTDMVSLLLQHGADPNHQSKNGLAPLHLAAQEDHVSVAQILKSAGAKISPLTRAGYSPLHTACHFGQINMVRYLLDLPDAPDINQRTQMGFTPLHLATQQGHSQVVRLLLEMGADSNVRNQQGLTPAHIARKQHYVTIFDILKTVTTTVVSWEEEHEELDQTLMLEHPDFMREHPFTELDEDGVAPSPSISHRLSSSDKKIKSNEDDHYYSSDVTEQKRHTGLFNSAFDSTILAETENDDIWGQMEYMHSTLSPQGTLSDRITSQKGDENTNEFIATQTSSILETASPKSVHNTEVQMFGESGQPDGDWDLEADNMAVIKKPISTGFLVSFIADARGGLIQARRYPDLRIFIPPNVINGPLRIVCRLVHPDRMNSPPIMNDGDGLACRLLEIGPPGIRFASPILLEIPHYAFLNGKNREIVILRSDNGETWKEHLLDATDQAVQDTLDGHFDYAGSLEELRAKSIHRILTYDLPQYFALITRIKQELILIGPEGGTLTSTVVPDVHVRFPQGALQKRIRVGLQVHPVDHELVTRMLGPRVSVSPIVTIEPRRRKFHKPITLTIPLPKTAISFFSGVADTKSRSTIDSPSLRLLCSIAGGTSPAVWEDITGSSPLTVHDLSVSFTSTVSARLWLVDCPNITEVVELASRVYHESLAVPYIGQFVVYARRFHPEEAQLRCLCLTDDSAEKTLELQEGFQLIANGPCIEVLDDHPHWIETAGNLVPVAKTEEQLQLGMHAFRENRLNMIVRVKDLSQPAVGKLAFMRHPRAVLQSAGSPVKPATVLEAKLPDELTDYRTGGILKTTDIDDMPSYIPEYNQNGDQYTTYNESLPQTWSKPVDHYDEPLAKSELDLRQVAYHLKSDWRILAQCLGLSDEDQYNITSLPNRPEEEYAYTSLLLWQERNGNELTSGTQLAEALQAIGRKDILEYCMTNISPVITADERVTALRSLNAVSPNLNVNRESRSHSKDGGGGLSESVDTGYGTQTGSTTLIPTTPVITKTMSSTIYTLPTLSNVDNSKQSEKEVEQEIIQPVTVTTGRKYSGLSPYVGKSITDVVPGDKYDVLKGVENILVDSQPSLTIEEDDKINSSTGPPVNEEMVVPTQSNRIGQLSRTDDMISSSNNIHKQIEKDSDLSNIYPDVSIDVESDLSHDTERQIFIKQHKQLFSDSLSHPYCEKLTDNVQSIVNKSFVDKADNEQAPDDHSYESCEQEICSHHYQRCGELEATWGKSADQDVPSCDTSGFHVDKTHEKQVCKTVLDGSNEEKICAHHYQRCGELEATWGKGADSDIPFGSTTSKLKTSEKDEEMLPIAQGIVPSEQSTYTRQLSDETETTSSKSKPANTFSIEDAMQQSSSSSSQEKLTKTIISKHTKSDKGEIK
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low28.4Very low234 Ų234152.3 Ų152.3100%1.15380%0.799SS**  0157.70-73.1172.5168.700108.6
2T30.5Very low28.9Very low128 Ų128152 Ų15279%0.78580%0.798SS**  trans29.7104.8159.650.50000117.4
3K27Very low29.7Very low212 Ų212154.9 Ų154.992%0.92281%0.805SS**  46.387.159.1-80.9-164.5175.1-173.80115.1
4S29.8Very low31.4Very low101 Ų101147.4 Ų147.471%0.70677%0.766SS**  trans-174.8116141.549.60000107.3
5S25.3Very low33.6Very low99 Ų99140.6 Ų140.669%0.69274%0.736SS**  62.91196276.30000113.6
6D25.7Very low36.2Very low157 Ų157141 Ų14184%0.8473%0.733SS**  trans51.892158.4-49.7-42000118.3
7D27.8Very low38.8Very low125 Ų125137.3 Ų137.367%0.66872%0.718SS**  trans-163.4156.1135.8-133.4-11.5000114.5
8R28.2Very low41.3Very low173 Ų173132.9 Ų132.965%0.65369%0.693SS**  trans5993160.6-61.5149.4-141.8-166.48118.4
9K30.6Very low43.6Very low208 Ų208129.6 Ų129.690%0.90467%0.674SS**SBend-38.4124.493.8-67.7-174.6174.7-172.40113.4
10T25.8Very low45.8Very low120 Ų120126.1 Ų126.174%0.73666%0.656SS**  trans97.293.4-177.776.90000117.5
11T26.8Very low48Very low118 Ų118120.1 Ų120.172%0.72463%0.625SS**  trans158135.9153.436.10000106.7
12N35Very low50.8Low149 Ų149109.5 Ų109.580%0.79757%0.573SS**  cis-125.8114.69.6-68.3-45.1000111.4
13Q38.5Very low53.6Low190 Ų190109.5 Ų109.589%0.88856%0.559SS**PPolyproline II helixtrans-82.9124.9144-73.1-177-6.800106.2S15Q13-S15 PolarHBondContact O-N 3.04Å
14L53.1Low56.8Low50 Ų5099.8 Ų99.826%0.26252%0.518SS..PPolyproline II helixtrans-55.6126.7168.7-76167.3000108.1E18 Q19 L45L14-E18 HydrophobicContact CB-CB 4.36Å; L14-E18 HydrophobicContact CD2-CB 4.14Å; L14-Q19 HydrophobicContact CB-CG 3.74Å; L14-Q19 PolarHBondContact O-NE2 3.43Å; L14-L45 HydrophobicContact CD2-CD1 3.84Å; L14-L45 HydrophobicContact CD2-CG 4.41Å
15S64.3Low59.8Low45 Ų4595 Ų9532%0.31548%0.484SS..PPolyproline II helixtrans-56.8153.4178.263.80000110.7Q13 T17 E18 Q19Q13-S15 PolarHBondContact O-N 3.04Å; S15-T17 WeakPolarHBondContact CB-OG1 3.34Å; S15-T17 PolarHBondContact O-N 2.7Å; S15-T17 VanDerWaalsContact O-N 3.15Å; S15-T17 PolarHBondContact OG-OG1 3.28Å; S15-E18 VanDerWaalsContact CB-OE2 3.24Å; S15-E18 WeakPolarHBondContact CB-OE2 3.09Å; S15-E18 PolarHBondContact N-OE2 3.07Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 2.86Å; S15-E18 WeakPolarHBondContact OG-CB 2.85Å; S15-E18 VanDerWaalsContact OG-CD 3.24Å; S15-E18 WeakPolarHBondContact OG-CG 3.37Å; S15-E18 PolarHBondContact OG-N 2.9Å; S15-E18 PolarHBondContact OG-OE2 3.17Å; S15-Q19 PolarHBondContact O-N 2.94Å
16E75.9Confident63Low147 Ų14796.2 Ų96.269%0.68747%0.474SS*.Hα-helixtrans-57.6-34.1-180-164.9179.4173.200111.6N20E16-N20 WeakPolarHBondContact O-CB 2.9Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 3.33Å
17T79.8Confident66.1Low78 Ų7891.9 Ų91.948%0.47946%0.46SS..Hα-helixtrans-58.6-47.3169.328.60000114.1S15 N20 F21S15-T17 WeakPolarHBondContact CB-OG1 3.34Å; S15-T17 PolarHBondContact O-N 2.7Å; S15-T17 VanDerWaalsContact O-N 3.15Å; S15-T17 PolarHBondContact OG-OG1 3.28Å; T17-N20 PolarHBondContact O-N 2.65Å; T17-F21 PolarHBondContact O-N 3.09Å
18E85.1Confident69.1Low58 Ų5887.2 Ų87.227%0.27144%0.442SS..Hα-helixtrans-67.6-42.4177.9-78.5166.3128.400111.8L14 S15 N20 F21 L22 V41 L45L14-E18 HydrophobicContact CB-CB 4.36Å; L14-E18 HydrophobicContact CD2-CB 4.14Å; S15-E18 VanDerWaalsContact CB-OE2 3.24Å; S15-E18 WeakPolarHBondContact CB-OE2 3.09Å; S15-E18 PolarHBondContact N-OE2 3.07Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 2.86Å; S15-E18 WeakPolarHBondContact OG-CB 2.85Å; S15-E18 VanDerWaalsContact OG-CD 3.24Å; S15-E18 WeakPolarHBondContact OG-CG 3.37Å; S15-E18 PolarHBondContact OG-N 2.9Å; S15-E18 PolarHBondContact OG-OE2 3.17Å; E18-N20 VanDerWaalsContact C-N 3.3Å; E18-N20 PolarHBondContact O-N 3.05Å; E18-F21 PolarHBondContact O-N 3.37Å; E18-L22 PolarHBondContact O-N 3.45Å; E18-V41 HydrophobicContact CG-CG1 4.3Å; E18-L45 HydrophobicContact CB-CD1 4.25Å; E18-L45 HydrophobicContact CB-CD2 3.6Å; E18-L45 HydrophobicContact CG-CD1 3.91Å; E18-L45 HydrophobicContact CG-CD2 3.91Å; E18-L45 WeakPolarHBondContact O-CD2 3.39Å; E18-L45 WeakPolarHBondContact OE1-CD1 3.35Å
19Q83.5Confident72.2Confident71 Ų7182.5 Ų82.533%0.33243%0.429SS..Hα-helixtrans-62.3-40173-62.1-176.731.500111.4L14 S15 L22 R23L14-Q19 HydrophobicContact CB-CG 3.74Å; L14-Q19 PolarHBondContact O-NE2 3.43Å; S15-Q19 PolarHBondContact O-N 2.94Å; Q19-L22 PolarHBondContact O-N 3.41Å; Q19-R23 VanDerWaalsContact O-CG 3.29Å; Q19-R23 WeakPolarHBondContact O-CG 3.32Å; Q19-R23 PolarHBondContact O-N 3.13Å
20N88.4Confident75.1Confident59 Ų5975.8 Ų75.832%0.31640%0.403SS..Hα-helixtrans-69.5-29.6178.5-73.9-19000113E16 T17 E18 R23 A24 L36E16-N20 WeakPolarHBondContact O-CB 2.9Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 3.33Å; T17-N20 PolarHBondContact O-N 2.65Å; E18-N20 VanDerWaalsContact C-N 3.3Å; E18-N20 PolarHBondContact O-N 3.05Å; N20-R23 PolarHBondContact O-N 3.14Å; N20-R23 PolarHBondContact OD1-NH1 2.88Å; N20-A24 VanDerWaalsContact O-CB 3.27Å; N20-A24 WeakPolarHBondContact O-CB 3.44Å; N20-A24 PolarHBondContact O-N 3.48Å; N20-L36 HydrophobicContact CB-CD1 4.41Å
21F93Very high78.2Confident0 Ų074.5 Ų74.50%040%0.399CS..Hα-helixtrans-63.7-47.1170.7171-119.1000111.6T17 E18 R23 A24 A25 V33 L36 L37 V41 L45 A53 L69T17-F21 PolarHBondContact O-N 3.09Å; E18-F21 PolarHBondContact O-N 3.37Å; F21-R23 PolarHBondContact O-N 3.24Å; F21-A24 PolarHBondContact O-N 3.12Å; F21-A25 PolarHBondContact O-N 2.9Å; F21-V33 HydrophobicContact CE2-CG1 4.18Å; F21-L36 HydrophobicContact CB-CB 4.29Å; F21-L36 HydrophobicContact CB-CD1 3.95Å; F21-L36 HydrophobicContact CD2-CB 4.16Å; F21-L37 HydrophobicContact CE2-CD1 4.22Å; F21-L37 HydrophobicContact CE2-CD2 3.65Å; F21-L37 HydrophobicContact CE2-CG 3.68Å; F21-L37 HydrophobicContact CZ-CD2 3.65Å; F21-L37 HydrophobicContact CZ-CG 4.2Å; F21-V41 HydrophobicContact CB-CG1 3.81Å; F21-V41 HydrophobicContact CD1-CG1 3.54Å; F21-V41 HydrophobicContact CE1-CG1 4.22Å; F21-V41 HydrophobicContact CG-CB 4.41Å; F21-V41 HydrophobicContact CG-CG1 3.72Å; F21-L45 HydrophobicContact CD1-CB 4.41Å; F21-L45 HydrophobicContact CD1-CD2 3.95Å; F21-L45 HydrophobicContact CE1-CB 4.36Å; F21-A53 HydrophobicContact CD1-CB 4.34Å; F21-A53 HydrophobicContact CE1-CB 3.53Å; F21-A53 HydrophobicContact CE2-CB 4.16Å; F21-A53 HydrophobicContact CZ-CB 3.41Å; F21-A53 VanDerWaalsContact CZ-CB 3.41Å; F21-L69 HydrophobicContact CZ-CD2 4.28Å
22L92.3Very high81.2Confident11 Ų1172.4 Ų72.46%0.05838%0.38CS..Hα-helixtrans-65.4-37.6176.2-62.1-179.5000112.3E18 Q19 R26 L45 N47 A53 L56E18-L22 PolarHBondContact O-N 3.45Å; Q19-L22 PolarHBondContact O-N 3.41Å; L22-R26 WeakPolarHBondContact O-CB 3.39Å; L22-R26 PolarHBondContact O-N 3.47Å; L22-R26 VanDerWaalsContact O-N 3.14Å; L22-L45 HydrophobicContact CD1-CD2 4.07Å; L22-L45 HydrophobicContact CD2-CD2 4.22Å; L22-L45 HydrophobicContact CG-CD2 3.91Å; L22-N47 HydrophobicContact CD1-CB 4.02Å; L22-A53 HydrophobicContact CD2-CB 4.25Å; L22-L56 HydrophobicContact CB-CD1 3.8Å; L22-L56 HydrophobicContact CD2-CD1 4.23Å; L22-L56 WeakPolarHBondContact O-CD1 3.49Å
23R90.7Very high83.9Confident129 Ų12965.3 Ų65.349%0.48734%0.342SS..Hα-helixtrans-63.2-45.5172.2-71.3170.4-173.6128.58.2111.9Q19 N20 F21 R26 A27Q19-R23 VanDerWaalsContact O-CG 3.29Å; Q19-R23 WeakPolarHBondContact O-CG 3.32Å; Q19-R23 PolarHBondContact O-N 3.13Å; N20-R23 PolarHBondContact O-N 3.14Å; N20-R23 PolarHBondContact OD1-NH1 2.88Å; F21-R23 PolarHBondContact O-N 3.24Å; R23-R26 PolarHBondContact O-N 3.18Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.44Å
24A92.7Very high86.4Confident8 Ų857.8 Ų57.87%0.06631%0.309CS..Hα-helixtrans-62.5-44.9179.300000112N20 F21 R26 A27 G28 D29 K32 V33N20-A24 VanDerWaalsContact O-CB 3.27Å; N20-A24 WeakPolarHBondContact O-CB 3.44Å; N20-A24 PolarHBondContact O-N 3.48Å; F21-A24 PolarHBondContact O-N 3.12Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.76Å; A24-A27 PolarHBondContact O-N 2.79Å; A24-G28 PolarHBondContact O-N 2.58Å; A24-D29 PolarHBondContact O-N 3.46Å; A24-D29 VanDerWaalsContact O-N 3.07Å; A24-K32 HydrophobicContact CB-CB 3.93Å; A24-K32 HydrophobicContact CB-CG 4.06Å; A24-V33 HydrophobicContact CB-CG2 3.86Å
25A93.1Very high88.1Confident0 Ų060.3 Ų60.30%032%0.319CS..Hα-helixtrans-60.9-39.8176.400000112.4F21 G28 V33 A53 V65F21-A25 PolarHBondContact O-N 2.9Å; A25-G28 PolarHBondContact O-N 2.93Å; A25-V33 HydrophobicContact CB-CG2 4.07Å; A25-A53 HydrophobicContact CB-CB 3.71Å; A25-V65 HydrophobicContact CB-CG1 4.41Å
26R92.5Very high89.3Confident124 Ų12458.7 Ų58.747%0.46831%0.307SS..Hα-helixtrans-67.8-43.6174.5-163.5178.9-176.6-162.3-9.9112.7L22 R23 A24 G28 L56 E60 R62L22-R26 WeakPolarHBondContact O-CB 3.39Å; L22-R26 PolarHBondContact O-N 3.47Å; L22-R26 VanDerWaalsContact O-N 3.14Å; R23-R26 PolarHBondContact O-N 3.18Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.76Å; R26-G28 PolarHBondContact O-N 3.26Å; R26-L56 HydrophobicContact CB-CB 4.06Å; R26-L56 HydrophobicContact CB-CD1 4.48Å; R26-L56 HydrophobicContact CG-CB 4.38Å; R26-E60 HydrophobicContact CG-CG 3.61Å; R26-E60 IonicContact CZ-OE1 2.79Å; R26-E60 IonicContact NE-OE1 3.23Å; R26-E60 PolarHBondContact NE-OE1 2.91Å; R26-E60 IonicContact NH2-OE1 3.2Å; R26-E60 PolarHBondContact NH2-OE1 2.89Å; R26-R62 PolarHBondContact O-NE 3.33Å; R26-R62 PolarHBondContact O-NH2 2.87Å
27A91.4Very high89.9Confident66 Ų6652.8 Ų52.855%0.54528%0.28SS..Hα-helixtrans-64-27.6177.700000112.6R23 A24 R62R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.44Å; A24-A27 PolarHBondContact O-N 2.79Å; A27-R62 PolarHBondContact O-NE 2.91Å
28G90.8Very high90.4Very high28 Ų2854.4 Ų54.429%0.28929%0.286SS..THydrogen-bonded Turntrans88.513.2-172.700000113.5A24 A25 R26 L30A24-G28 PolarHBondContact O-N 2.58Å; A25-G28 PolarHBondContact O-N 2.93Å; R26-G28 PolarHBondContact O-N 3.26Å; G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 2.81Å
29D92.4Very high90.4Very high74 Ų7455.4 Ų55.440%0.39630%0.304SS..  trans-76.784.2178.7-172.5-16.4000110.2A24 S31 K32 V33A24-D29 PolarHBondContact O-N 3.46Å; A24-D29 VanDerWaalsContact O-N 3.07Å; D29-S31 PolarHBondContact O-N 3.48Å; D29-S31 WeakPolarHBondContact OD1-CB 3.2Å; D29-S31 PolarHBondContact OD1-N 2.85Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; D29-K32 HydrophobicContact CB-CB 4.1Å; D29-K32 VanDerWaalsContact CG-CB 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; D29-K32 PolarHBondContact OD1-N 2.93Å; D29-K32 WeakPolarHBondContact OD2-CB 3.38Å; D29-V33 WeakPolarHBondContact O-CB 3.4Å; D29-V33 VanDerWaalsContact O-CG2 3.3Å; D29-V33 WeakPolarHBondContact O-CG2 3.3Å; D29-V33 PolarHBondContact O-N 3.26Å
30L92.3Very high90.4Very high66 Ų6655.1 Ų55.135%0.34632%0.32SS..Hα-helixtrans-55.5-35.5176.3-17963.8000112.1G28 V34 H64 V65 E68G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 2.81Å; L30-V34 HydrophobicContact CD1-CG2 4.15Å; L30-V34 WeakPolarHBondContact O-CB 3.37Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.4Å; L30-H64 HydrophobicContact CD2-CB 4.32Å; L30-V65 HydrophobicContact CB-CG2 4.09Å; L30-V65 HydrophobicContact CD1-CG2 4.29Å; L30-E68 HydrophobicContact CD1-CB 3.65Å; L30-E68 HydrophobicContact CD1-CG 3.86Å
31S91.2Very high90.4Very high94 Ų9453.3 Ų53.366%0.65731%0.311SS*.Hα-helixtrans-65.9-47.7179.4-59.60000111D29 V34 E35D29-S31 PolarHBondContact O-N 3.48Å; D29-S31 WeakPolarHBondContact OD1-CB 3.2Å; D29-S31 PolarHBondContact OD1-N 2.85Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; S31-V34 PolarHBondContact O-N 2.97Å; S31-E35 WeakPolarHBondContact O-CB 3.29Å; S31-E35 PolarHBondContact O-N 3.3Å
32K90.3Very high90.2Very high73 Ų7359.2 Ų59.232%0.31734%0.339SS..Hα-helixtrans-71.5-34.1178.1-160.778.1-151.91700112.8A24 D29 E35 L36A24-K32 HydrophobicContact CB-CB 3.93Å; A24-K32 HydrophobicContact CB-CG 4.06Å; D29-K32 HydrophobicContact CB-CB 4.1Å; D29-K32 VanDerWaalsContact CG-CB 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; D29-K32 PolarHBondContact OD1-N 2.93Å; D29-K32 WeakPolarHBondContact OD2-CB 3.38Å; K32-E35 WeakPolarHBondContact CE-OE2 3.3Å; K32-E35 IonicContact NZ-OE1 2.65Å; K32-E35 PolarHBondContact NZ-OE1 3.36Å; K32-E35 IonicContact NZ-OE2 2.7Å; K32-E35 PolarHBondContact NZ-OE2 2.99Å; K32-E35 PolarHBondContact O-N 3.45Å; K32-L36 HydrophobicContact CG-CD1 4.01Å; K32-L36 WeakPolarHBondContact O-CB 3.29Å; K32-L36 VanDerWaalsContact O-CG 3.29Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.15Å
33V90Very high90.1Very high0 Ų059.9 Ų59.90%034%0.342CS..Hα-helixtrans-59.6-50.7170.8165.50000110.7F21 A24 A25 D29 L36 L37 V65 L69F21-V33 HydrophobicContact CE2-CG1 4.18Å; A24-V33 HydrophobicContact CB-CG2 3.86Å; A25-V33 HydrophobicContact CB-CG2 4.07Å; D29-V33 WeakPolarHBondContact O-CB 3.4Å; D29-V33 VanDerWaalsContact O-CG2 3.3Å; D29-V33 WeakPolarHBondContact O-CG2 3.3Å; D29-V33 PolarHBondContact O-N 3.26Å; V33-L36 PolarHBondContact O-N 2.86Å; V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.4Å; V33-L37 PolarHBondContact O-N 3.14Å; V33-V65 HydrophobicContact CG1-CG1 4.34Å; V33-V65 HydrophobicContact CG2-CG1 4.14Å; V33-L69 HydrophobicContact CG1-CD2 4.38Å
34V92Very high90.1Very high33 Ų3356 Ų5620%0.233%0.331CS..Hα-helixtrans-65.4-39.7178.7167.90000111.6L30 S31 N38 E68L30-V34 HydrophobicContact CD1-CG2 4.15Å; L30-V34 WeakPolarHBondContact O-CB 3.37Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.4Å; S31-V34 PolarHBondContact O-N 2.97Å; V34-N38 VanDerWaalsContact O-CB 3.27Å; V34-N38 WeakPolarHBondContact O-CB 3.42Å; V34-N38 PolarHBondContact O-N 3.09Å; V34-N38 PolarHBondContact O-ND2 3.33Å; V34-N38 PolarHBondContact O-OD1 2.89Å; V34-E68 HydrophobicContact CG2-CG 3.88Å
35E89.5Confident90Very high102 Ų10256.5 Ų56.548%0.47733%0.332SS..Hα-helixtrans-58.6-47.9174.7-168.6-163133.800111.7S31 K32 N38 A39S31-E35 WeakPolarHBondContact O-CB 3.29Å; S31-E35 PolarHBondContact O-N 3.3Å; K32-E35 WeakPolarHBondContact CE-OE2 3.3Å; K32-E35 IonicContact NZ-OE1 2.65Å; K32-E35 PolarHBondContact NZ-OE1 3.36Å; K32-E35 IonicContact NZ-OE2 2.7Å; K32-E35 PolarHBondContact NZ-OE2 2.99Å; K32-E35 PolarHBondContact O-N 3.45Å; E35-N38 PolarHBondContact O-N 2.87Å; E35-A39 WeakPolarHBondContact O-CB 3.35Å; E35-A39 PolarHBondContact O-N 2.92Å
36L88.7Confident89.8Confident12 Ų1259 Ų596%0.06335%0.349CS..Hα-helixtrans-73.3-33.7-177.3-69.3169.3000112.9N20 F21 K32 V33 A39 G40 V41N20-L36 HydrophobicContact CB-CD1 4.41Å; F21-L36 HydrophobicContact CB-CB 4.29Å; F21-L36 HydrophobicContact CB-CD1 3.95Å; F21-L36 HydrophobicContact CD2-CB 4.16Å; K32-L36 HydrophobicContact CG-CD1 4.01Å; K32-L36 WeakPolarHBondContact O-CB 3.29Å; K32-L36 VanDerWaalsContact O-CG 3.29Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.15Å; V33-L36 PolarHBondContact O-N 2.86Å; L36-A39 PolarHBondContact O-N 2.76Å; L36-G40 PolarHBondContact O-N 3.35Å; L36-V41 HydrophobicContact CB-CG2 4.19Å; L36-V41 WeakPolarHBondContact O-CB 3.45Å; L36-V41 WeakPolarHBondContact O-CG2 3.47Å; L36-V41 PolarHBondContact O-N 3.3Å
37L88.9Confident89.6Confident22 Ų2255.1 Ų55.112%0.11534%0.338CS..Hα-helixtrans-65.4-42.2169.6-71.3171.6000111.5F21 V33 A39 G40 I43 L69F21-L37 HydrophobicContact CE2-CD1 4.22Å; F21-L37 HydrophobicContact CE2-CD2 3.65Å; F21-L37 HydrophobicContact CE2-CG 3.68Å; F21-L37 HydrophobicContact CZ-CD2 3.65Å; F21-L37 HydrophobicContact CZ-CG 4.2Å; V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.4Å; V33-L37 PolarHBondContact O-N 3.14Å; L37-A39 PolarHBondContact O-N 2.74Å; L37-G40 PolarHBondContact O-N 3.23Å; L37-I43 HydrophobicContact CD1-CD1 4.43Å; L37-I43 HydrophobicContact CD2-CB 3.82Å; L37-I43 HydrophobicContact CD2-CD1 4.32Å; L37-I43 HydrophobicContact CD2-CG1 3.94Å; L37-L69 HydrophobicContact CD1-CD2 4.12Å
38N89.2Confident89.3Confident113 Ų11356.6 Ų56.660%0.60434%0.344SS*.Hα-helixtrans-67.6-25174.9-66.7-11.1000112.3V34 E35 G40 R72V34-N38 VanDerWaalsContact O-CB 3.27Å; V34-N38 WeakPolarHBondContact O-CB 3.42Å; V34-N38 PolarHBondContact O-N 3.09Å; V34-N38 PolarHBondContact O-ND2 3.33Å; V34-N38 PolarHBondContact O-OD1 2.89Å; E35-N38 PolarHBondContact O-N 2.87Å; N38-G40 PolarHBondContact O-N 2.9Å; N38-R72 PolarHBondContact OD1-NH1 3.14Å
39A84.9Confident89Confident79 Ų7959.6 Ų59.665%0.65335%0.353SS*.THydrogen-bonded Turntrans-79.6-0.2171.600000113.9E35 L36 L37E35-A39 WeakPolarHBondContact O-CB 3.35Å; E35-A39 PolarHBondContact O-N 2.92Å; L36-A39 PolarHBondContact O-N 2.76Å; L37-A39 PolarHBondContact O-N 2.74Å
40G85Confident88.8Confident65 Ų6556.6 Ų56.667%0.6734%0.34SS*.THydrogen-bonded Turntrans92.712.4174.200000115.8L36 L37 N38 H42L36-G40 PolarHBondContact O-N 3.35Å; L37-G40 PolarHBondContact O-N 3.23Å; N38-G40 PolarHBondContact O-N 2.9Å; G40-H42 PolarHBondContact O-N 3.35Å
41V87.1Confident88.8Confident21 Ų2155 Ų5513%0.12733%0.331CS..  trans-66.1131.8171.7-177.70000109.7E18 F21 L36 I43 L45E18-V41 HydrophobicContact CG-CG1 4.3Å; F21-V41 HydrophobicContact CB-CG1 3.81Å; F21-V41 HydrophobicContact CD1-CG1 3.54Å; F21-V41 HydrophobicContact CE1-CG1 4.22Å; F21-V41 HydrophobicContact CG-CB 4.41Å; F21-V41 HydrophobicContact CG-CG1 3.72Å; L36-V41 HydrophobicContact CB-CG2 4.19Å; L36-V41 WeakPolarHBondContact O-CB 3.45Å; L36-V41 WeakPolarHBondContact O-CG2 3.47Å; L36-V41 PolarHBondContact O-N 3.3Å; V41-I43 PolarHBondContact O-N 3.36Å; V41-L45 HydrophobicContact CG1-CD2 4.25Å
42H88.8Confident88.9Confident124 Ų12450.8 Ų50.857%0.57430%0.302SS*.  trans-65.4126.3-176.3-174.4-107.7000111.8G40 N44 L45G40-H42 PolarHBondContact O-N 3.35Å; H42-N44 VanDerWaalsContact C-N 3.32Å; H42-N44 PolarHBondContact O-N 3.48Å; H42-L45 PolarHBondContact ND1-N 3.22Å; H42-L45 WeakPolarHBondContact O-CB 3.19Å; H42-L45 PolarHBondContact O-N 3.35Å
43I91.1Very high89.1Confident25 Ų2547.3 Ų47.313%0.12829%0.287CS..THydrogen-bonded Turntrans-62.9-36.4-171.6-168.2163.6000113.8L37 V41 L45 L69 R72 A74L37-I43 HydrophobicContact CD1-CD1 4.43Å; L37-I43 HydrophobicContact CD2-CB 3.82Å; L37-I43 HydrophobicContact CD2-CD1 4.32Å; L37-I43 HydrophobicContact CD2-CG1 3.94Å; V41-I43 PolarHBondContact O-N 3.36Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L69 HydrophobicContact CD1-CD2 3.89Å; I43-L69 WeakPolarHBondContact CD1-O 3.44Å; I43-L69 HydrophobicContact CG1-CD2 3.7Å; I43-R72 HydrophobicContact CD1-CB 3.47Å; I43-R72 VanDerWaalsContact CD1-CB 3.47Å; I43-A74 HydrophobicContact CD1-CB 3.91Å; I43-A74 HydrophobicContact CG1-CB 3.95Å
44N91.2Very high89.3Confident48 Ų4847.4 Ų47.426%0.25729%0.287SS..THydrogen-bonded Turntrans-94.420.9177.2-62.5-34.1000112.5H42 S46 A74 D75H42-N44 VanDerWaalsContact C-N 3.32Å; H42-N44 PolarHBondContact O-N 3.48Å; N44-S46 PolarHBondContact O-N 3.21Å; N44-A74 WeakPolarHBondContact OD1-CA 3.47Å; N44-D75 PolarHBondContact OD1-N 2.87Å
45L88.8Confident89.5Confident18 Ų1845.9 Ų45.99%0.09428%0.278CS..  trans-53.4137.5165.2-179.588.8000109.7L14 E18 F21 L22 V41 H42 I43 T52L14-L45 HydrophobicContact CD2-CD1 3.84Å; L14-L45 HydrophobicContact CD2-CG 4.41Å; E18-L45 HydrophobicContact CB-CD1 4.25Å; E18-L45 HydrophobicContact CB-CD2 3.6Å; E18-L45 HydrophobicContact CG-CD1 3.91Å; E18-L45 HydrophobicContact CG-CD2 3.91Å; E18-L45 WeakPolarHBondContact O-CD2 3.39Å; E18-L45 WeakPolarHBondContact OE1-CD1 3.35Å; F21-L45 HydrophobicContact CD1-CB 4.41Å; F21-L45 HydrophobicContact CD1-CD2 3.95Å; F21-L45 HydrophobicContact CE1-CB 4.36Å; L22-L45 HydrophobicContact CD1-CD2 4.07Å; L22-L45 HydrophobicContact CD2-CD2 4.22Å; L22-L45 HydrophobicContact CG-CD2 3.91Å; V41-L45 HydrophobicContact CG1-CD2 4.25Å; H42-L45 PolarHBondContact ND1-N 3.22Å; H42-L45 WeakPolarHBondContact O-CB 3.19Å; H42-L45 PolarHBondContact O-N 3.35Å; I43-L45 VanDerWaalsContact C-N 3.31Å; L45-T52 VanDerWaalsContact O-CA 3.26Å; L45-T52 WeakPolarHBondContact O-CA 3.05Å
46S89.6Confident89.7Confident51 Ų5141.7 Ų41.736%0.35726%0.259SS..BIsolated β-bridgetrans-128.4160.4177.163.40000113N44 L51N44-S46 PolarHBondContact O-N 3.21Å; S46-L51 CarbonylContact C-O 3.05Å; S46-L51 VanDerWaalsContact CA-O 3.26Å; S46-L51 WeakPolarHBondContact CA-O 3.33Å
47N88.5Confident90Very high43 Ų4341.1 Ų41.123%0.2326%0.256CS..  trans-83.6-178170.674.93.6000112.3L22 I49 G50 L51L22-N47 HydrophobicContact CD1-CB 4.02Å; N47-I49 PolarHBondContact O-N 2.68Å; N47-I49 WeakPolarHBondContact OD1-CA 3.48Å; N47-I49 WeakPolarHBondContact OD1-CB 3.33Å; N47-I49 PolarHBondContact OD1-N 3.45Å; N47-G50 PolarHBondContact O-N 3.06Å; N47-G50 PolarHBondContact OD1-N 2.86Å; N47-L51 PolarHBondContact N-O 3.23Å; N47-L51 WeakPolarHBondContact OD1-CB 3.45Å; N47-L51 PolarHBondContact OD1-N 2.88Å
48S85.9Confident90.3Very high97 Ų9740.1 Ų40.168%0.67825%0.25SS*.THydrogen-bonded Turntrans-57.4-12.2178.851.30000116.1K81S48-K81 VanDerWaalsContact O-CE 3.26Å; S48-K81 WeakPolarHBondContact O-CE 3.29Å; S48-K81 PolarHBondContact O-NZ 2.83Å
49I84.8Confident90.5Very high91 Ų9140 Ų4047%0.46725%0.245SC..THydrogen-bonded Turntrans-102.5-5.9178.7-42178.8000111.2N47 L51 K81N47-I49 PolarHBondContact O-N 2.68Å; N47-I49 WeakPolarHBondContact OD1-CA 3.48Å; N47-I49 WeakPolarHBondContact OD1-CB 3.33Å; N47-I49 PolarHBondContact OD1-N 3.45Å; I49-L51 HydrophobicContact CB-CD1 4.33Å; I49-L51 HydrophobicContact CB-CG 4.41Å; I49-L51 HydrophobicContact CD1-CD1 4.41Å; I49-K81 WeakPolarHBondContact O-CB 3.39Å; I49-K81 PolarHBondContact O-N 2.98Å
50G87.8Confident91Very high12 Ų1238.8 Ų38.812%0.12423%0.225CC..  trans81.813.1-172.600000114.1N47 T52 H55N47-G50 PolarHBondContact O-N 3.06Å; N47-G50 PolarHBondContact OD1-N 2.86Å; G50-T52 PolarHBondContact O-N 2.96Å; G50-H55 PolarHBondContact O-ND1 2.8Å; G50-H55 VanDerWaalsContact O-ND1 3.12Å
51L91.2Very high91.3Very high31 Ų3136.8 Ų36.816%0.16220%0.204CC..  trans-77114.3174.2-64.8163.5000109.2S46 N47 I49 H55 L56 T80 I89S46-L51 CarbonylContact C-O 3.05Å; S46-L51 VanDerWaalsContact CA-O 3.26Å; S46-L51 WeakPolarHBondContact CA-O 3.33Å; N47-L51 PolarHBondContact N-O 3.23Å; N47-L51 WeakPolarHBondContact OD1-CB 3.45Å; N47-L51 PolarHBondContact OD1-N 2.88Å; I49-L51 HydrophobicContact CB-CD1 4.33Å; I49-L51 HydrophobicContact CB-CG 4.41Å; I49-L51 HydrophobicContact CD1-CD1 4.41Å; L51-H55 HydrophobicContact CB-CB 4.16Å; L51-H55 HydrophobicContact CD2-CB 3.72Å; L51-L56 HydrophobicContact CB-CD2 4.13Å; L51-L56 HydrophobicContact CB-CG 4.29Å; L51-L56 HydrophobicContact CD1-CD2 4.23Å; L51-T80 HydrophobicContact CD2-CG2 3.58Å; L51-T80 HydrophobicContact CG-CG2 4.19Å; L51-I89 HydrophobicContact CD2-CD1 3.92Å
52T94.1Very high91.7Very high7 Ų740.2 Ų40.24%0.04322%0.215CC..BIsolated β-bridgetrans-81.3172.8173.859.70000111.4L45 G50 L54 H55 L56L45-T52 VanDerWaalsContact O-CA 3.26Å; L45-T52 WeakPolarHBondContact O-CA 3.05Å; G50-T52 PolarHBondContact O-N 2.96Å; T52-L54 PolarHBondContact O-N 3.3Å; T52-L54 PolarHBondContact OG1-N 3.18Å; T52-H55 PolarHBondContact N-ND1 3.28Å; T52-H55 PolarHBondContact O-N 3.15Å; T52-H55 VanDerWaalsContact O-N 3.17Å; T52-H55 PolarHBondContact OG1-N 2.91Å; T52-H55 VanDerWaalsContact OG1-N 3.08Å; T52-H55 PolarHBondContact OG1-ND1 3.5Å; T52-L56 WeakPolarHBondContact O-CG 3.35Å; T52-L56 PolarHBondContact O-N 3.36Å
53A93.3Very high92Very high0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-53.5-39.6167.900000112.1F21 L22 A25 L56 A57 L69F21-A53 HydrophobicContact CD1-CB 4.34Å; F21-A53 HydrophobicContact CE1-CB 3.53Å; F21-A53 HydrophobicContact CE2-CB 4.16Å; F21-A53 HydrophobicContact CZ-CB 3.41Å; F21-A53 VanDerWaalsContact CZ-CB 3.41Å; L22-A53 HydrophobicContact CD2-CB 4.25Å; A25-A53 HydrophobicContact CB-CB 3.71Å; A53-L56 PolarHBondContact O-N 3.42Å; A53-A57 VanDerWaalsContact O-CB 3.3Å; A53-A57 WeakPolarHBondContact O-CB 3.5Å; A53-A57 PolarHBondContact O-N 3.23Å; A53-L69 HydrophobicContact CB-CD1 3.99Å; A53-L69 HydrophobicContact CB-CD2 4.18Å
54L95.8Very high92.2Very high1 Ų142.1 Ų42.11%0.00523%0.227CC..Hα-helixtrans-67.4-43.1176.2-172.366.3000111.9T52 L56 A57 S58 V66 L69 L70 A74 D75 F76 A86 L102T52-L54 PolarHBondContact O-N 3.3Å; T52-L54 PolarHBondContact OG1-N 3.18Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 3.44Å; L54-S58 VanDerWaalsContact O-CB 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.74Å; L54-S58 PolarHBondContact O-OG 2.94Å; L54-S58 VanDerWaalsContact O-OG 3.11Å; L54-V66 HydrophobicContact CD1-CB 4.38Å; L54-V66 HydrophobicContact CD1-CG1 4.02Å; L54-V66 HydrophobicContact CD1-CG2 4.35Å; L54-L69 HydrophobicContact CB-CD1 4.31Å; L54-L69 HydrophobicContact CD1-CB 4.16Å; L54-L69 HydrophobicContact CD1-CD1 4.33Å; L54-L70 HydrophobicContact CD1-CD2 4.28Å; L54-L70 HydrophobicContact CD1-CG 4.19Å; L54-L70 HydrophobicContact CD2-CD2 3.95Å; L54-A74 HydrophobicContact CB-CB 4.34Å; L54-A74 HydrophobicContact CD2-CB 4.18Å; L54-D75 WeakPolarHBondContact CD2-O 2.87Å; L54-F76 HydrophobicContact CD2-CB 4.26Å; L54-A86 HydrophobicContact CD2-CB 4.02Å; L54-A86 HydrophobicContact CG-CB 4.03Å; L54-L102 HydrophobicContact CD2-CD2 4.37Å
55H95.4Very high92.3Very high1 Ų140 Ų401%0.00522%0.215CC..Hα-helixtrans-58-40.5174.1-72.6144.9000112.8G50 L51 T52 K59 A78 A86 I89G50-H55 PolarHBondContact O-ND1 2.8Å; G50-H55 VanDerWaalsContact O-ND1 3.12Å; L51-H55 HydrophobicContact CB-CB 4.16Å; L51-H55 HydrophobicContact CD2-CB 3.72Å; T52-H55 PolarHBondContact N-ND1 3.28Å; T52-H55 PolarHBondContact O-N 3.15Å; T52-H55 VanDerWaalsContact O-N 3.17Å; T52-H55 PolarHBondContact OG1-N 2.91Å; T52-H55 VanDerWaalsContact OG1-N 3.08Å; T52-H55 PolarHBondContact OG1-ND1 3.5Å; H55-K59 WeakPolarHBondContact O-CB 3.36Å; H55-K59 PolarHBondContact O-N 2.97Å; H55-A78 PolarHBondContact CE1-O 3.02Å; H55-A78 PolarHBondContact NE2-O 3.48Å; H55-A86 PolarHBondContact CD2-N 2.93Å; H55-A86 VanDerWaalsContact CD2-N 3.34Å; H55-A86 PolarHBondContact NE2-N 3.22Å; H55-I89 HydrophobicContact CB-CD1 4.06Å
56L94.3Very high92.6Very high15 Ų1539.1 Ų39.18%0.07921%0.211CC..Hα-helixtrans-73.6-43179.4-64.9173.7000112.2L22 R26 L51 T52 A53 L54 K59 E60L22-L56 HydrophobicContact CB-CD1 3.8Å; L22-L56 HydrophobicContact CD2-CD1 4.23Å; L22-L56 WeakPolarHBondContact O-CD1 3.49Å; R26-L56 HydrophobicContact CB-CB 4.06Å; R26-L56 HydrophobicContact CB-CD1 4.48Å; R26-L56 HydrophobicContact CG-CB 4.38Å; L51-L56 HydrophobicContact CB-CD2 4.13Å; L51-L56 HydrophobicContact CB-CG 4.29Å; L51-L56 HydrophobicContact CD1-CD2 4.23Å; T52-L56 WeakPolarHBondContact O-CG 3.35Å; T52-L56 PolarHBondContact O-N 3.36Å; A53-L56 PolarHBondContact O-N 3.42Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.1Å; L56-K59 PolarHBondContact O-N 2.94Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 3.05Å
57A95.4Very high92.9Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-62.4-42.3175.300000111.7A53 L54 E60 G61 R62 V65 V66 L69A53-A57 VanDerWaalsContact O-CB 3.3Å; A53-A57 WeakPolarHBondContact O-CB 3.5Å; A53-A57 PolarHBondContact O-N 3.23Å; L54-A57 PolarHBondContact O-N 3.44Å; A57-E60 PolarHBondContact O-N 3.37Å; A57-G61 PolarHBondContact O-N 2.87Å; A57-R62 HydrophobicContact CB-CB 4.14Å; A57-R62 PolarHBondContact O-N 3.49Å; A57-V65 HydrophobicContact CB-CB 4.2Å; A57-V65 HydrophobicContact CB-CG1 3.77Å; A57-V66 HydrophobicContact CB-CG2 3.75Å; A57-L69 HydrophobicContact CB-CD1 4.16Å
58S95.1Very high93.2Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-71.1-28.4177.6-66.50000113.7L54 H95 V98L54-S58 VanDerWaalsContact O-CB 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.74Å; L54-S58 PolarHBondContact O-OG 2.94Å; L54-S58 VanDerWaalsContact O-OG 3.11Å; S58-H95 PolarHBondContact O-CD2 3.32Å; S58-H95 VanDerWaalsContact O-CD2 3.24Å; S58-V98 WeakPolarHBondContact OG-CG1 3.43Å
59K93.3Very high93.5Very high111 Ų11134 Ų3448%0.48317%0.171SC..Hα-helixtrans-68.6-43172.8-171.5176.1178.2177.30112.5H55 L56 G61 I89 H95H55-K59 WeakPolarHBondContact O-CB 3.36Å; H55-K59 PolarHBondContact O-N 2.97Å; L56-K59 PolarHBondContact O-N 2.94Å; K59-G61 VanDerWaalsContact C-N 3.33Å; K59-I89 HydrophobicContact CB-CG2 3.57Å; K59-I89 HydrophobicContact CG-CG2 4Å; K59-H95 PolarHBondContact O-CD2 2.68Å; K59-H95 PolarHBondContact O-NE2 3.19Å
60E93.8Very high94Very high54 Ų5430.9 Ų30.925%0.25216%0.155SC..THydrogen-bonded Turntrans-94.314.4-173.8-49.6-70.5171.700112.6R26 L56 A57 R62R26-E60 HydrophobicContact CG-CG 3.61Å; R26-E60 IonicContact CZ-OE1 2.79Å; R26-E60 IonicContact NE-OE1 3.23Å; R26-E60 PolarHBondContact NE-OE1 2.91Å; R26-E60 IonicContact NH2-OE1 3.2Å; R26-E60 PolarHBondContact NH2-OE1 2.89Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 3.05Å; A57-E60 PolarHBondContact O-N 3.37Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 HydrophobicContact CB-CG 4.02Å; E60-R62 VanDerWaalsContact O-CD 3.32Å; E60-R62 WeakPolarHBondContact O-CD 3.43Å; E60-R62 PolarHBondContact O-N 3.48Å; E60-R62 PolarHBondContact O-NE 3.1Å; E60-R62 PolarHBondContact O-NH1 3.19Å
61G92.8Very high94.2Very high22 Ų2238.7 Ų38.723%0.22718%0.18CC..THydrogen-bonded Turntrans67.525.1174.500000115.2A57 K59 V63 H95A57-G61 PolarHBondContact O-N 2.87Å; K59-G61 VanDerWaalsContact C-N 3.33Å; G61-V63 VanDerWaalsContact C-N 3.28Å; G61-V63 PolarHBondContact O-N 3.44Å; G61-H95 PolarHBondContact N-NE2 3.28Å
62R95.5Very high94.2Very high94 Ų9441.8 Ų41.836%0.35519%0.19SC..  trans-80.664.2-169.9-50.9-54.2-172-156.60.7112.7R26 A27 A57 E60 H64 V65 V66R26-R62 PolarHBondContact O-NE 3.33Å; R26-R62 PolarHBondContact O-NH2 2.87Å; A27-R62 PolarHBondContact O-NE 2.91Å; A57-R62 HydrophobicContact CB-CB 4.14Å; A57-R62 PolarHBondContact O-N 3.49Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 HydrophobicContact CB-CG 4.02Å; E60-R62 VanDerWaalsContact O-CD 3.32Å; E60-R62 WeakPolarHBondContact O-CD 3.43Å; E60-R62 PolarHBondContact O-N 3.48Å; E60-R62 PolarHBondContact O-NE 3.1Å; E60-R62 PolarHBondContact O-NH1 3.19Å; R62-H64 VanDerWaalsContact C-N 3.31Å; R62-H64 PolarHBondContact O-N 2.81Å; R62-H64 VanDerWaalsContact O-N 3.09Å; R62-V65 HydrophobicContact CB-CB 3.97Å; R62-V65 HydrophobicContact CB-CG2 4.28Å; R62-V65 WeakPolarHBondContact O-CA 3.35Å; R62-V65 PolarHBondContact O-N 2.94Å; R62-V66 PolarHBondContact O-N 3.23Å
63V94.7Very high94.1Very high52 Ų5243.9 Ų43.932%0.31521%0.213SC..Hα-helixtrans-40.4-51.5-174.5-176.40000113.7G61 V65 V66 D67 E97 V98 L101G61-V63 VanDerWaalsContact C-N 3.28Å; G61-V63 PolarHBondContact O-N 3.44Å; V63-V65 PolarHBondContact O-N 2.83Å; V63-V66 PolarHBondContact O-N 3.01Å; V63-D67 WeakPolarHBondContact O-CB 3.44Å; V63-D67 PolarHBondContact O-N 3.44Å; V63-E97 HydrophobicContact CG2-CB 4.16Å; V63-V98 HydrophobicContact CG2-CG2 4.07Å; V63-L101 HydrophobicContact CG1-CD1 3.69Å
64H94Very high93.9Very high136 Ų13644.1 Ų44.163%0.6322%0.215SC*.Hα-helixtrans-69.1-29.5-178.8-60-54.6000114.5L30 R62 E68L30-H64 HydrophobicContact CD2-CB 4.32Å; R62-H64 VanDerWaalsContact C-N 3.31Å; R62-H64 PolarHBondContact O-N 2.81Å; R62-H64 VanDerWaalsContact O-N 3.09Å; H64-E68 WeakPolarHBondContact O-CB 3.3Å; H64-E68 PolarHBondContact O-N 2.95Å; H64-E68 VanDerWaalsContact O-N 3.15Å
65V94.6Very high93.7Very high3 Ų347.6 Ų47.62%0.01823%0.234CC..Hα-helixtrans-77.1-38.1174.5176.50000110.2A25 L30 V33 A57 R62 V63 L69A25-V65 HydrophobicContact CB-CG1 4.41Å; L30-V65 HydrophobicContact CB-CG2 4.09Å; L30-V65 HydrophobicContact CD1-CG2 4.29Å; V33-V65 HydrophobicContact CG1-CG1 4.34Å; V33-V65 HydrophobicContact CG2-CG1 4.14Å; A57-V65 HydrophobicContact CB-CB 4.2Å; A57-V65 HydrophobicContact CB-CG1 3.77Å; R62-V65 HydrophobicContact CB-CB 3.97Å; R62-V65 HydrophobicContact CB-CG2 4.28Å; R62-V65 WeakPolarHBondContact O-CA 3.35Å; R62-V65 PolarHBondContact O-N 2.94Å; V63-V65 PolarHBondContact O-N 2.83Å; V65-L69 HydrophobicContact CG1-CD1 3.81Å; V65-L69 HydrophobicContact CG1-CG 4.25Å; V65-L69 VanDerWaalsContact O-CB 3.25Å; V65-L69 WeakPolarHBondContact O-CB 3.5Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 WeakPolarHBondContact O-CG 3.13Å; V65-L69 PolarHBondContact O-N 3.34Å
66V95.6Very high93.5Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-59.6-50.4171.9170.60000110.6L54 A57 R62 V63 L69 L70 V98 L101L54-V66 HydrophobicContact CD1-CB 4.38Å; L54-V66 HydrophobicContact CD1-CG1 4.02Å; L54-V66 HydrophobicContact CD1-CG2 4.35Å; A57-V66 HydrophobicContact CB-CG2 3.75Å; R62-V66 PolarHBondContact O-N 3.23Å; V63-V66 PolarHBondContact O-N 3.01Å; V66-L69 PolarHBondContact O-N 3.4Å; V66-L70 HydrophobicContact CG1-CD1 3.62Å; V66-L70 HydrophobicContact CG1-CG 4.34Å; V66-L70 WeakPolarHBondContact O-CB 3.05Å; V66-L70 VanDerWaalsContact O-CG 3.22Å; V66-L70 WeakPolarHBondContact O-CG 3.38Å; V66-L70 PolarHBondContact O-N 3.32Å; V66-V98 HydrophobicContact CG1-CG1 4.3Å; V66-V98 HydrophobicContact CG2-CG1 4.19Å; V66-V98 HydrophobicContact CG2-CG2 4.35Å; V66-L101 HydrophobicContact CG1-CD1 4.5Å
67D95.1Very high93.4Very high40 Ų4051.4 Ų51.421%0.21425%0.251CS..Hα-helixtrans-58.1-48.2178.2-17934.9000112.3V63 L70 R71 L101V63-D67 WeakPolarHBondContact O-CB 3.44Å; V63-D67 PolarHBondContact O-N 3.44Å; D67-L70 PolarHBondContact O-N 3.08Å; D67-R71 WeakPolarHBondContact O-CB 3.21Å; D67-R71 WeakPolarHBondContact O-CG 3.03Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 3.15Å; D67-R71 PolarHBondContact OD1-NE 2.82Å; D67-R71 IonicContact OD1-NH2 3.99Å; D67-R71 PolarHBondContact OD1-NH2 3.03Å; D67-R71 IonicContact OD2-CZ 2.76Å; D67-R71 VanDerWaalsContact OD2-CZ 3.22Å; D67-R71 IonicContact OD2-NE 3.22Å; D67-R71 IonicContact OD2-NH1 3.91Å; D67-R71 IonicContact OD2-NH2 2.73Å; D67-R71 PolarHBondContact OD2-NH2 3.07Å; D67-L101 HydrophobicContact CB-CD1 4.24Å
68E93.6Very high93.2Very high44 Ų4452 Ų5221%0.20626%0.256CS..Hα-helixtrans-67.2-37.2176.8-176.668.8-179.300112.9L30 V34 H64 R72L30-E68 HydrophobicContact CD1-CB 3.65Å; L30-E68 HydrophobicContact CD1-CG 3.86Å; V34-E68 HydrophobicContact CG2-CG 3.88Å; H64-E68 WeakPolarHBondContact O-CB 3.3Å; H64-E68 PolarHBondContact O-N 2.95Å; H64-E68 VanDerWaalsContact O-N 3.15Å; E68-R72 WeakPolarHBondContact O-CB 3.06Å; E68-R72 WeakPolarHBondContact O-CG 3.43Å; E68-R72 PolarHBondContact O-N 3.38Å; E68-R72 VanDerWaalsContact O-N 3.13Å; E68-R72 IonicContact OE1-CZ 3.06Å; E68-R72 IonicContact OE1-NE 2.88Å; E68-R72 PolarHBondContact OE1-NE 3.3Å; E68-R72 IonicContact OE1-NH2 2.68Å; E68-R72 PolarHBondContact OE1-NH2 3.28Å
69L93.9Very high93.1Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-64.9-46.4175.7-76.5171.5000111.2F21 V33 L37 I43 A53 L54 A57 V65 V66 R72 G73 A74F21-L69 HydrophobicContact CZ-CD2 4.28Å; V33-L69 HydrophobicContact CG1-CD2 4.38Å; L37-L69 HydrophobicContact CD1-CD2 4.12Å; I43-L69 HydrophobicContact CD1-CD2 3.89Å; I43-L69 WeakPolarHBondContact CD1-O 3.44Å; I43-L69 HydrophobicContact CG1-CD2 3.7Å; A53-L69 HydrophobicContact CB-CD1 3.99Å; A53-L69 HydrophobicContact CB-CD2 4.18Å; L54-L69 HydrophobicContact CB-CD1 4.31Å; L54-L69 HydrophobicContact CD1-CB 4.16Å; L54-L69 HydrophobicContact CD1-CD1 4.33Å; A57-L69 HydrophobicContact CB-CD1 4.16Å; V65-L69 HydrophobicContact CG1-CD1 3.81Å; V65-L69 HydrophobicContact CG1-CG 4.25Å; V65-L69 VanDerWaalsContact O-CB 3.25Å; V65-L69 WeakPolarHBondContact O-CB 3.5Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 WeakPolarHBondContact O-CG 3.13Å; V65-L69 PolarHBondContact O-N 3.34Å; V66-L69 PolarHBondContact O-N 3.4Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 PolarHBondContact O-N 2.87Å; L69-R72 VanDerWaalsContact O-N 3.15Å; L69-G73 PolarHBondContact O-N 2.86Å; L69-A74 HydrophobicContact CB-CB 3.85Å; L69-A74 WeakPolarHBondContact O-CB 3.46Å; L69-A74 PolarHBondContact O-N 3.29Å
70L94.1Very high93Very high25 Ų2550.7 Ų50.713%0.13126%0.259CS..Hα-helixtrans-62.5-44.1177.5-68.7168.3000111.4L54 V66 D67 R72 G73 F76 L101 L102L54-L70 HydrophobicContact CD1-CD2 4.28Å; L54-L70 HydrophobicContact CD1-CG 4.19Å; L54-L70 HydrophobicContact CD2-CD2 3.95Å; V66-L70 HydrophobicContact CG1-CD1 3.62Å; V66-L70 HydrophobicContact CG1-CG 4.34Å; V66-L70 WeakPolarHBondContact O-CB 3.05Å; V66-L70 VanDerWaalsContact O-CG 3.22Å; V66-L70 WeakPolarHBondContact O-CG 3.38Å; V66-L70 PolarHBondContact O-N 3.32Å; D67-L70 PolarHBondContact O-N 3.08Å; L70-R72 PolarHBondContact O-N 3.12Å; L70-G73 PolarHBondContact O-N 2.98Å; L70-F76 HydrophobicContact CD2-CB 3.83Å; L70-F76 HydrophobicContact CD2-CD1 4.21Å; L70-L101 HydrophobicContact CD1-CB 4.49Å; L70-L102 HydrophobicContact CD1-CD2 4.1Å; L70-L102 HydrophobicContact CD2-CD2 4.07Å
71R92.7Very high92.8Very high176 Ų17655.5 Ų55.566%0.66428%0.279SS*.Hα-helixtrans-60-27.3174.3-73171.5-167-161.94.4113.9D67D67-R71 WeakPolarHBondContact O-CB 3.21Å; D67-R71 WeakPolarHBondContact O-CG 3.03Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 3.15Å; D67-R71 PolarHBondContact OD1-NE 2.82Å; D67-R71 IonicContact OD1-NH2 3.99Å; D67-R71 PolarHBondContact OD1-NH2 3.03Å; D67-R71 IonicContact OD2-CZ 2.76Å; D67-R71 VanDerWaalsContact OD2-CZ 3.22Å; D67-R71 IonicContact OD2-NE 3.22Å; D67-R71 IonicContact OD2-NH1 3.91Å; D67-R71 IonicContact OD2-NH2 2.73Å; D67-R71 PolarHBondContact OD2-NH2 3.07Å
72R91.7Very high92.5Very high97 Ų9760.1 Ų60.137%0.36629%0.292SS..THydrogen-bonded Turntrans-92.48.1176.3-70.4-177.9-175.6-125.41.6113.9N38 I43 E68 L69 L70N38-R72 PolarHBondContact OD1-NH1 3.14Å; I43-R72 HydrophobicContact CD1-CB 3.47Å; I43-R72 VanDerWaalsContact CD1-CB 3.47Å; E68-R72 WeakPolarHBondContact O-CB 3.06Å; E68-R72 WeakPolarHBondContact O-CG 3.43Å; E68-R72 PolarHBondContact O-N 3.38Å; E68-R72 VanDerWaalsContact O-N 3.13Å; E68-R72 IonicContact OE1-CZ 3.06Å; E68-R72 IonicContact OE1-NE 2.88Å; E68-R72 PolarHBondContact OE1-NE 3.3Å; E68-R72 IonicContact OE1-NH2 2.68Å; E68-R72 PolarHBondContact OE1-NH2 3.28Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 PolarHBondContact O-N 2.87Å; L69-R72 VanDerWaalsContact O-N 3.15Å; L70-R72 PolarHBondContact O-N 3.12Å
73G90.6Very high92.3Very high51 Ų5156.3 Ų56.353%0.52628%0.283SS..THydrogen-bonded Turntrans80.531.1176.500000114.3L69 L70L69-G73 PolarHBondContact O-N 2.86Å; L70-G73 PolarHBondContact O-N 2.98Å
74A91Very high92.2Very high5 Ų555.3 Ų55.34%0.04128%0.276CS..  trans-61.7135.2163.100000110I43 N44 L54 L69 F76I43-A74 HydrophobicContact CD1-CB 3.91Å; I43-A74 HydrophobicContact CG1-CB 3.95Å; N44-A74 WeakPolarHBondContact OD1-CA 3.47Å; L54-A74 HydrophobicContact CB-CB 4.34Å; L54-A74 HydrophobicContact CD2-CB 4.18Å; L69-A74 HydrophobicContact CB-CB 3.85Å; L69-A74 WeakPolarHBondContact O-CB 3.46Å; L69-A74 PolarHBondContact O-N 3.29Å; A74-F76 PolarHBondContact O-N 3.11Å
75D91.5Very high92.3Very high74 Ų7448.9 Ų48.940%0.39625%0.246SC..  trans-75.2116.4179.2177.35.2000110N44 L54 D77 A78N44-D75 PolarHBondContact OD1-N 2.87Å; L54-D75 WeakPolarHBondContact CD2-O 2.87Å; D75-D77 PolarHBondContact OD1-N 3.32Å; D75-A78 HydrophobicContact CB-CB 3.96Å; D75-A78 VanDerWaalsContact CG-N 3.34Å; D75-A78 WeakPolarHBondContact O-CB 3.31Å; D75-A78 PolarHBondContact OD1-N 3.45Å; D75-A78 VanDerWaalsContact OD1-N 3.07Å; D75-A78 PolarHBondContact OD2-N 3Å
76F91.2Very high92.3Very high61 Ų6148.7 Ų48.727%0.26825%0.245SC..SBendtrans-80.7-23.1-176.949.6-109.9000114.2L54 L70 A74 L102 S105 A107L54-F76 HydrophobicContact CD2-CB 4.26Å; L70-F76 HydrophobicContact CD2-CB 3.83Å; L70-F76 HydrophobicContact CD2-CD1 4.21Å; A74-F76 PolarHBondContact O-N 3.11Å; F76-L102 HydrophobicContact CB-CD2 3.92Å; F76-S105 WeakPolarHBondContact CE1-O 3.19Å; F76-A107 HydrophobicContact CB-CB 4.25Å; F76-A107 VanDerWaalsContact CD2-CA 3.44Å; F76-A107 HydrophobicContact CD2-CB 3.69Å; F76-A107 HydrophobicContact CE2-CB 4.39Å; F76-A107 HydrophobicContact CG-CB 4.21Å
77D91.6Very high92.4Very high35 Ų3548.7 Ų48.719%0.18725%0.245CC..SBendtrans-105.26.8177.7-84.5-20.3000112.5D75 P79 T85 N108D75-D77 PolarHBondContact OD1-N 3.32Å; D77-P79 WeakPolarHBondContact O-CD 3.19Å; D77-T85 VanDerWaalsContact O-CG2 3.32Å; D77-T85 WeakPolarHBondContact O-CG2 3.24Å; D77-N108 PolarHBondContact OD1-N 2.93Å; D77-N108 WeakPolarHBondContact OD2-CB 3.44Å; D77-N108 PolarHBondContact OD2-N 3.27Å
78A91.1Very high92.4Very high11 Ų1146.8 Ų46.89%0.09124%0.235CC..PPolyproline II helixtrans-48.4124.616800000110.6H55 D75H55-A78 PolarHBondContact CE1-O 3.02Å; H55-A78 PolarHBondContact NE2-O 3.48Å; D75-A78 HydrophobicContact CB-CB 3.96Å; D75-A78 VanDerWaalsContact CG-N 3.34Å; D75-A78 WeakPolarHBondContact O-CB 3.31Å; D75-A78 PolarHBondContact OD1-N 3.45Å; D75-A78 VanDerWaalsContact OD1-N 3.07Å; D75-A78 PolarHBondContact OD2-N 3Å
79P92.2Very high92.5Very high73 Ų7345.8 Ų45.847%0.47423%0.231SC..PPolyproline II helixtrans-86.3140.5177.332.4-33.1000111.8D77D77-P79 WeakPolarHBondContact O-CD 3.19Å
80T92.7Very high92.6Very high12 Ų1245.8 Ų45.87%0.07423%0.231CC..PPolyproline II helixtrans-66.1170.915557.90000110.7L51 K82 G83 N84 I89L51-T80 HydrophobicContact CD2-CG2 3.58Å; L51-T80 HydrophobicContact CG-CG2 4.19Å; T80-K82 PolarHBondContact O-N 3.47Å; T80-G83 PolarHBondContact O-N 2.87Å; T80-N84 WeakPolarHBondContact CG2-O 3.49Å; T80-N84 PolarHBondContact N-O 2.96Å; T80-N84 WeakPolarHBondContact OG1-CB 3.47Å; T80-N84 PolarHBondContact OG1-N 2.82Å; T80-N84 PolarHBondContact OG1-O 3.3Å; T80-I89 HydrophobicContact CG2-CD1 4.19Å
81K88Confident92.7Very high154 Ų15444.6 Ų44.667%0.6722%0.224SC*.THydrogen-bonded Turntrans-54.8-24173.2-77.6-174.5170.6175.50114.3S48 I49 G83S48-K81 VanDerWaalsContact O-CE 3.26Å; S48-K81 WeakPolarHBondContact O-CE 3.29Å; S48-K81 PolarHBondContact O-NZ 2.83Å; I49-K81 WeakPolarHBondContact O-CB 3.39Å; I49-K81 PolarHBondContact O-N 2.98Å; K81-G83 VanDerWaalsContact C-N 3.34Å
82K87.8Confident92.8Very high119 Ų11939 Ų3952%0.51721%0.207SC..THydrogen-bonded Turntrans-91.916.8174.9-62-160.8172.4-154.10113.8T80 N84 A114T80-K82 PolarHBondContact O-N 3.47Å; K82-N84 PolarHBondContact O-N 3.33Å; K82-A114 WeakPolarHBondContact O-CB 3.28Å; K82-A114 PolarHBondContact O-N 2.9Å
83G90.2Very high92.8Very high15 Ų1536.3 Ų36.316%0.15521%0.205CC..SBendtrans71-12.6-176.600000115.6T80 K81 T85T80-G83 PolarHBondContact O-N 2.87Å; K81-G83 VanDerWaalsContact C-N 3.34Å; G83-T85 PolarHBondContact O-N 3.43Å
84N93.6Very high93Very high31 Ų3135.1 Ų35.117%0.16619%0.194CC..  trans-62.8128.7179.3-59-45.6000110.7T80 K82 H88 I89 S113 M122T80-N84 WeakPolarHBondContact CG2-O 3.49Å; T80-N84 PolarHBondContact N-O 2.96Å; T80-N84 WeakPolarHBondContact OG1-CB 3.47Å; T80-N84 PolarHBondContact OG1-N 2.82Å; T80-N84 PolarHBondContact OG1-O 3.3Å; K82-N84 PolarHBondContact O-N 3.33Å; N84-H88 HydrophobicContact CB-CB 3.97Å; N84-I89 HydrophobicContact CB-CG1 4.36Å; N84-S113 WeakPolarHBondContact OD1-CB 3.29Å; N84-M122 WeakPolarHBondContact OD1-CE 3.24Å
85T95.4Very high93.2Very high0 Ų037.6 Ų37.60%020%0.204CC..  trans-92.8177173.166.30000111.8D77 G83 L87 H88 I89 R111D77-T85 VanDerWaalsContact O-CG2 3.32Å; D77-T85 WeakPolarHBondContact O-CG2 3.24Å; G83-T85 PolarHBondContact O-N 3.43Å; T85-L87 PolarHBondContact O-N 3.49Å; T85-L87 PolarHBondContact OG1-N 2.84Å; T85-H88 PolarHBondContact N-ND1 3.19Å; T85-H88 WeakPolarHBondContact O-CB 3.23Å; T85-H88 PolarHBondContact O-N 3.31Å; T85-H88 VanDerWaalsContact O-N 3.16Å; T85-H88 PolarHBondContact OG1-ND1 3.01Å; T85-I89 PolarHBondContact O-N 2.79Å; T85-R111 HydrophobicContact CG2-CG 3.99Å
86A95.3Very high93.4Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-54.1-38.6173.100000112.4L54 H55 I89 S90 L102L54-A86 HydrophobicContact CD2-CB 4.02Å; L54-A86 HydrophobicContact CG-CB 4.03Å; H55-A86 PolarHBondContact CD2-N 2.93Å; H55-A86 VanDerWaalsContact CD2-N 3.34Å; H55-A86 PolarHBondContact NE2-N 3.22Å; A86-I89 PolarHBondContact O-N 3.25Å; A86-S90 PolarHBondContact O-N 3.11Å; A86-S90 PolarHBondContact O-OG 3.1Å; A86-S90 VanDerWaalsContact O-OG 3.12Å; A86-L102 HydrophobicContact CB-CD1 3.86Å; A86-L102 HydrophobicContact CB-CD2 3.93Å
87L96.7Very high93.5Very high0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-68.5-36.3180-17662.6000112.7T85 S90 S91 V99 L102 L103 A107 P119T85-L87 PolarHBondContact O-N 3.49Å; T85-L87 PolarHBondContact OG1-N 2.84Å; L87-S90 PolarHBondContact O-OG 3.18Å; L87-S91 WeakPolarHBondContact O-CB 3.03Å; L87-S91 PolarHBondContact O-N 3.5Å; L87-S91 PolarHBondContact O-OG 3.38Å; L87-V99 HydrophobicContact CD1-CB 4.45Å; L87-V99 HydrophobicContact CD1-CG1 3.9Å; L87-L102 HydrophobicContact CB-CD1 4.41Å; L87-L102 HydrophobicContact CD1-CB 4.18Å; L87-L103 HydrophobicContact CD1-CD2 4.13Å; L87-L103 HydrophobicContact CD1-CG 4.01Å; L87-L103 HydrophobicContact CD2-CD2 3.77Å; L87-A107 HydrophobicContact CB-CB 4.38Å; L87-A107 HydrophobicContact CD2-CB 4.19Å; L87-P119 HydrophobicContact CD2-CB 4.39Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4.07Å; L87-P119 HydrophobicContact CG-CG 3.92Å
88H96.1Very high93.7Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-61.3-51.4173.1-73.677.5000110.6N84 T85 S90 S91 L92 R111 S113 F117 M122N84-H88 HydrophobicContact CB-CB 3.97Å; T85-H88 PolarHBondContact N-ND1 3.19Å; T85-H88 WeakPolarHBondContact O-CB 3.23Å; T85-H88 PolarHBondContact O-N 3.31Å; T85-H88 VanDerWaalsContact O-N 3.16Å; T85-H88 PolarHBondContact OG1-ND1 3.01Å; H88-S90 PolarHBondContact O-N 2.9Å; H88-S91 PolarHBondContact O-N 3.35Å; H88-L92 PolarHBondContact O-N 3.19Å; H88-R111 PolarHBondContact CE1-O 2.83Å; H88-R111 PolarHBondContact NE2-O 3.27Å; H88-S113 PolarHBondContact NE2-N 2.74Å; H88-F117 PolarHBondContact NE2-O 3.35Å; H88-F117 VanDerWaalsContact NE2-O 3.15Å; H88-M122 HydrophobicContact CB-SD 3.86Å
89I95Very high94Very high23 Ų2337.3 Ų37.312%0.11820%0.195CC..Hα-helixtrans-64-43.5-175-66.3174.5000111.2L51 H55 K59 T80 N84 T85 A86 S91 A93L51-I89 HydrophobicContact CD2-CD1 3.92Å; H55-I89 HydrophobicContact CB-CD1 4.06Å; K59-I89 HydrophobicContact CB-CG2 3.57Å; K59-I89 HydrophobicContact CG-CG2 4Å; T80-I89 HydrophobicContact CG2-CD1 4.19Å; N84-I89 HydrophobicContact CB-CG1 4.36Å; T85-I89 PolarHBondContact O-N 2.79Å; A86-I89 PolarHBondContact O-N 3.25Å; I89-S91 VanDerWaalsContact C-N 3.34Å; I89-A93 WeakPolarHBondContact O-CB 3.5Å; I89-A93 PolarHBondContact O-N 2.87Å
90S95.8Very high94.1Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-69.8-30.4176.360.30000113A86 L87 H88 G94 H95 V98 V99A86-S90 PolarHBondContact O-N 3.11Å; A86-S90 PolarHBondContact O-OG 3.1Å; A86-S90 VanDerWaalsContact O-OG 3.12Å; L87-S90 PolarHBondContact O-OG 3.18Å; H88-S90 PolarHBondContact O-N 2.9Å; S90-G94 PolarHBondContact O-N 3.39Å; S90-G94 VanDerWaalsContact O-N 3.08Å; S90-H95 PolarHBondContact O-N 3Å; S90-V98 VanDerWaalsContact CB-CG1 3.5Å; S90-V99 WeakPolarHBondContact OG-CG2 3.23Å
91S96.3Very high94.2Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-73.7-43.3179.6-600000112.2L87 H88 I89 G94 P119L87-S91 WeakPolarHBondContact O-CB 3.03Å; L87-S91 PolarHBondContact O-N 3.5Å; L87-S91 PolarHBondContact O-OG 3.38Å; H88-S91 PolarHBondContact O-N 3.35Å; I89-S91 VanDerWaalsContact C-N 3.34Å; S91-G94 PolarHBondContact O-N 3.47Å; S91-P119 WeakPolarHBondContact CB-O 3.2Å
92L94.3Very high94.6Very high59 Ų5930.8 Ų30.831%0.30916%0.16SC..Hα-helixtrans-57.4-48.8171.6-167.979.6000111H88 G94 M122 E126 R128H88-L92 PolarHBondContact O-N 3.19Å; L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 3.04Å; L92-M122 HydrophobicContact CB-CB 4.05Å; L92-M122 HydrophobicContact CB-SD 4.18Å; L92-M122 HydrophobicContact CD1-CB 3.72Å; L92-M122 HydrophobicContact CD1-CG 3.93Å; L92-M122 HydrophobicContact CD1-SD 4.14Å; L92-E126 HydrophobicContact CD1-CG 3.42Å; L92-E126 VanDerWaalsContact CD1-CG 3.42Å; L92-E126 HydrophobicContact CG-CG 3.85Å; L92-E126 WeakPolarHBondContact O-CB 3.19Å; L92-E126 WeakPolarHBondContact O-CG 3.21Å; L92-R128 PolarHBondContact O-NE 2.97Å
93A93Very high94.9Very high39 Ų3926 Ų2632%0.32214%0.14SC..THydrogen-bonded Turntrans-74.1-8.9-178.800000114.6I89 H95I89-A93 WeakPolarHBondContact O-CB 3.5Å; I89-A93 PolarHBondContact O-N 2.87Å; A93-H95 VanDerWaalsContact CB-CD2 3.44Å; A93-H95 WeakPolarHBondContact CB-CD2 3.16Å
94G93.2Very high95Very high27 Ų2729.7 Ų29.728%0.27816%0.156SC..THydrogen-bonded Turntrans78.114.5177.400000116S90 S91 L92 Y96S90-G94 PolarHBondContact O-N 3.39Å; S90-G94 VanDerWaalsContact O-N 3.08Å; S91-G94 PolarHBondContact O-N 3.47Å; L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 3.04Å; G94-Y96 VanDerWaalsContact C-N 3.32Å; G94-Y96 PolarHBondContact O-N 3.04Å
95H95.5Very high94.9Very high57 Ų5730.7 Ų30.726%0.26417%0.165SC..  trans-76.376.7-174-66.7-53.5000112.2S58 K59 G61 S90 A93 E97 V98 V99S58-H95 PolarHBondContact O-CD2 3.32Å; S58-H95 VanDerWaalsContact O-CD2 3.24Å; K59-H95 PolarHBondContact O-CD2 2.68Å; K59-H95 PolarHBondContact O-NE2 3.19Å; G61-H95 PolarHBondContact N-NE2 3.28Å; S90-H95 PolarHBondContact O-N 3Å; A93-H95 VanDerWaalsContact CB-CD2 3.44Å; A93-H95 WeakPolarHBondContact CB-CD2 3.16Å; H95-E97 PolarHBondContact O-N 3.33Å; H95-V98 HydrophobicContact CB-CB 3.86Å; H95-V98 HydrophobicContact CB-CG2 4.01Å; H95-V98 WeakPolarHBondContact O-CA 3.18Å; H95-V98 WeakPolarHBondContact O-CB 3.35Å; H95-V98 PolarHBondContact O-N 3.39Å; H95-V99 PolarHBondContact O-N 3.33Å
96Y95.5Very high94.7Very high89 Ų8933.1 Ų33.135%0.34919%0.19SC..Hα-helixtrans-46.3-50.8-173.1-179.7-91.7000114.7G94 V98 V99 K100 N130 L134G94-Y96 VanDerWaalsContact C-N 3.32Å; G94-Y96 PolarHBondContact O-N 3.04Å; Y96-V98 VanDerWaalsContact C-N 3.33Å; Y96-V98 PolarHBondContact O-N 3.49Å; Y96-V99 PolarHBondContact O-N 2.98Å; Y96-K100 HydrophobicContact CE1-CD 3.92Å; Y96-K100 VanDerWaalsContact O-CB 3.23Å; Y96-K100 WeakPolarHBondContact O-CB 3.12Å; Y96-K100 PolarHBondContact O-N 3.37Å; Y96-N130 HydrophobicContact CD2-CB 4.08Å; Y96-N130 HydrophobicContact CE2-CB 4.49Å; Y96-N130 WeakPolarHBondContact CE2-O 3.43Å; Y96-L134 HydrophobicContact CD2-CD2 4.08Å; Y96-L134 HydrophobicContact CE2-CB 3.98Å; Y96-L134 HydrophobicContact CE2-CD2 3.8Å; Y96-L134 HydrophobicContact CE2-CG 4.36Å
97E95Very high94.6Very high84 Ų8433.4 Ų33.439%0.39319%0.193SC..Hα-helixtrans-69.8-27.5-179.5-67.6-61.7146.500113V63 H95 K100 L101V63-E97 HydrophobicContact CG2-CB 4.16Å; H95-E97 PolarHBondContact O-N 3.33Å; E97-K100 VanDerWaalsContact CD-NZ 3.28Å; E97-K100 IonicContact OE1-NZ 2.74Å; E97-K100 PolarHBondContact OE1-NZ 3.29Å; E97-K100 IonicContact OE2-NZ 3.67Å; E97-K100 PolarHBondContact OE2-NZ 2.9Å; E97-L101 WeakPolarHBondContact O-CB 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.3Å; E97-L101 WeakPolarHBondContact O-CG 3.4Å; E97-L101 PolarHBondContact O-N 3.37Å
98V95.8Very high94.5Very high1 Ų136.6 Ų36.61%0.00621%0.21CC..Hα-helixtrans-73.1-46172.8174.20000110.6S58 V63 V66 S90 H95 Y96 K100 L101 L102S58-V98 WeakPolarHBondContact OG-CG1 3.43Å; V63-V98 HydrophobicContact CG2-CG2 4.07Å; V66-V98 HydrophobicContact CG1-CG1 4.3Å; V66-V98 HydrophobicContact CG2-CG1 4.19Å; V66-V98 HydrophobicContact CG2-CG2 4.35Å; S90-V98 VanDerWaalsContact CB-CG1 3.5Å; H95-V98 HydrophobicContact CB-CB 3.86Å; H95-V98 HydrophobicContact CB-CG2 4.01Å; H95-V98 WeakPolarHBondContact O-CA 3.18Å; H95-V98 WeakPolarHBondContact O-CB 3.35Å; H95-V98 PolarHBondContact O-N 3.39Å; Y96-V98 VanDerWaalsContact C-N 3.33Å; Y96-V98 PolarHBondContact O-N 3.49Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.34Å; V98-L101 PolarHBondContact O-N 3.3Å; V98-L102 HydrophobicContact CG1-CD1 3.88Å; V98-L102 WeakPolarHBondContact O-CB 2.95Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.29Å; V98-L102 PolarHBondContact O-N 3.06Å
99V96.3Very high94.4Very high0 Ų037.6 Ų37.60%022%0.215CC..Hα-helixtrans-55.4-47.5173.7171.80000110L87 S90 H95 Y96 L102 L103 V131 L134 L135L87-V99 HydrophobicContact CD1-CB 4.45Å; L87-V99 HydrophobicContact CD1-CG1 3.9Å; S90-V99 WeakPolarHBondContact OG-CG2 3.23Å; H95-V99 PolarHBondContact O-N 3.33Å; Y96-V99 PolarHBondContact O-N 2.98Å; V99-L102 PolarHBondContact O-N 2.92Å; V99-L103 HydrophobicContact CG1-CD1 3.73Å; V99-L103 HydrophobicContact CG1-CG 4.36Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 2.6Å; V99-V131 HydrophobicContact CG1-CG1 4.23Å; V99-V131 HydrophobicContact CG2-CG1 4.06Å; V99-V131 HydrophobicContact CG2-CG2 4.41Å; V99-L134 HydrophobicContact CB-CD2 4.41Å; V99-L134 HydrophobicContact CG1-CD2 3.87Å; V99-L135 HydrophobicContact CG1-CD2 4.39Å
100K95.5Very high94.3Very high62 Ų6238.8 Ų38.827%0.2722%0.222SC..Hα-helixtrans-61.2-48.6178.2-179.8173.9149-142.70112.4Y96 E97 V98 L102 L103 D104 L134Y96-K100 HydrophobicContact CE1-CD 3.92Å; Y96-K100 VanDerWaalsContact O-CB 3.23Å; Y96-K100 WeakPolarHBondContact O-CB 3.12Å; Y96-K100 PolarHBondContact O-N 3.37Å; E97-K100 VanDerWaalsContact CD-NZ 3.28Å; E97-K100 IonicContact OE1-NZ 2.74Å; E97-K100 PolarHBondContact OE1-NZ 3.29Å; E97-K100 IonicContact OE2-NZ 3.67Å; E97-K100 PolarHBondContact OE2-NZ 2.9Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.34Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.76Å; K100-L103 PolarHBondContact O-N 3.23Å; K100-D104 VanDerWaalsContact O-CB 3.28Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.84Å; K100-L134 HydrophobicContact CB-CD2 3.91Å
101L94.2Very high94.1Very high40 Ų4044.2 Ų44.221%0.20924%0.242CC..Hα-helixtrans-59.1-40.1175.1-79.4172000112.9V63 V66 D67 L70 E97 V98 S105V63-L101 HydrophobicContact CG1-CD1 3.69Å; V66-L101 HydrophobicContact CG1-CD1 4.5Å; D67-L101 HydrophobicContact CB-CD1 4.24Å; L70-L101 HydrophobicContact CD1-CB 4.49Å; E97-L101 WeakPolarHBondContact O-CB 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.3Å; E97-L101 WeakPolarHBondContact O-CG 3.4Å; E97-L101 PolarHBondContact O-N 3.37Å; V98-L101 PolarHBondContact O-N 3.3Å; L101-S105 VanDerWaalsContact O-CB 3.31Å; L101-S105 WeakPolarHBondContact O-CB 3.41Å; L101-S105 PolarHBondContact O-N 2.95Å; L101-S105 PolarHBondContact O-OG 2.96Å
102L95.4Very high93.9Very high0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-67.9-43.8177.7-70.4166.2000111.6L54 L70 F76 A86 L87 V98 V99 K100 S105 G106 A107L54-L102 HydrophobicContact CD2-CD2 4.37Å; L70-L102 HydrophobicContact CD1-CD2 4.1Å; L70-L102 HydrophobicContact CD2-CD2 4.07Å; F76-L102 HydrophobicContact CB-CD2 3.92Å; A86-L102 HydrophobicContact CB-CD1 3.86Å; A86-L102 HydrophobicContact CB-CD2 3.93Å; L87-L102 HydrophobicContact CB-CD1 4.41Å; L87-L102 HydrophobicContact CD1-CB 4.18Å; V98-L102 HydrophobicContact CG1-CD1 3.88Å; V98-L102 WeakPolarHBondContact O-CB 2.95Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.29Å; V98-L102 PolarHBondContact O-N 3.06Å; V99-L102 PolarHBondContact O-N 2.92Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.76Å; L102-S105 CarbonylContact O-C 3.57Å; L102-S105 PolarHBondContact O-N 2.97Å; L102-G106 PolarHBondContact O-N 2.86Å; L102-G106 VanDerWaalsContact O-N 3.16Å; L102-A107 HydrophobicContact CB-CB 4.05Å; L102-A107 VanDerWaalsContact O-CB 3.25Å; L102-A107 WeakPolarHBondContact O-CB 3.27Å; L102-A107 PolarHBondContact O-N 3.15Å
103L94.8Very high93.8Very high19 Ų1945.5 Ų45.510%0.09925%0.247CC..Hα-helixtrans-66.2-37.9175.2-68.5171.7000112.4L87 V99 K100 S105 G106 I109 L134 L135 R138L87-L103 HydrophobicContact CD1-CD2 4.13Å; L87-L103 HydrophobicContact CD1-CG 4.01Å; L87-L103 HydrophobicContact CD2-CD2 3.77Å; V99-L103 HydrophobicContact CG1-CD1 3.73Å; V99-L103 HydrophobicContact CG1-CG 4.36Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 2.6Å; K100-L103 PolarHBondContact O-N 3.23Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.33Å; L103-G106 PolarHBondContact O-N 2.73Å; L103-I109 HydrophobicContact CD2-CB 3.88Å; L103-I109 HydrophobicContact CD2-CD1 3.87Å; L103-I109 HydrophobicContact CD2-CG1 3.82Å; L103-L134 HydrophobicContact CD1-CD2 4.28Å; L103-L134 HydrophobicContact CD1-CG 4.1Å; L103-L135 HydrophobicContact CD1-CD2 4.04Å; L103-L135 HydrophobicContact CD2-CD2 4.44Å; L103-R138 HydrophobicContact CD1-CB 4.45Å; L103-R138 HydrophobicContact CD1-CG 4.22Å
104D93Very high93.6Very high92 Ų9245.9 Ų45.949%0.49225%0.251SS..Hα-helixtrans-70.1-23.6174.8-69.2-16.3000112.1K100 R138K100-D104 VanDerWaalsContact O-CB 3.28Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.84Å; D104-R138 IonicContact OD1-CZ 3.52Å; D104-R138 IonicContact OD1-NH1 2.74Å; D104-R138 PolarHBondContact OD1-NH1 2.95Å; D104-R138 IonicContact OD1-NH2 3.54Å; D104-R138 PolarHBondContact OD1-NH2 3.21Å; D104-R138 IonicContact OD2-NH2 2.84Å
105S91Very high93.3Very high52 Ų5245.7 Ų45.736%0.36424%0.244SC..THydrogen-bonded Turntrans-85.7-6.7172.3-56.20000113.7F76 L101 L102 L103F76-S105 WeakPolarHBondContact CE1-O 3.19Å; L101-S105 VanDerWaalsContact O-CB 3.31Å; L101-S105 WeakPolarHBondContact O-CB 3.41Å; L101-S105 PolarHBondContact O-N 2.95Å; L101-S105 PolarHBondContact O-OG 2.96Å; L102-S105 CarbonylContact O-C 3.57Å; L102-S105 PolarHBondContact O-N 2.97Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.33Å
106G92Very high93Very high51 Ų5143.4 Ų43.453%0.52624%0.236SC..THydrogen-bonded Turntrans97.214.6176.500000116.5L102 L103L102-G106 PolarHBondContact O-N 2.86Å; L102-G106 VanDerWaalsContact O-N 3.16Å; L103-G106 PolarHBondContact O-N 2.73Å
107A93.3Very high92.9Very high6 Ų641.7 Ų41.75%0.0523%0.23CC..  trans-59.7138.8177.300000112.8F76 L87 L102 I109F76-A107 HydrophobicContact CB-CB 4.25Å; F76-A107 VanDerWaalsContact CD2-CA 3.44Å; F76-A107 HydrophobicContact CD2-CB 3.69Å; F76-A107 HydrophobicContact CE2-CB 4.39Å; F76-A107 HydrophobicContact CG-CB 4.21Å; L87-A107 HydrophobicContact CB-CB 4.38Å; L87-A107 HydrophobicContact CD2-CB 4.19Å; L102-A107 HydrophobicContact CB-CB 4.05Å; L102-A107 VanDerWaalsContact O-CB 3.25Å; L102-A107 WeakPolarHBondContact O-CB 3.27Å; L102-A107 PolarHBondContact O-N 3.15Å; A107-I109 PolarHBondContact O-N 2.85Å
108N92.6Very high92.8Very high67 Ų6737.8 Ų37.836%0.35821%0.212SC..  trans-72.2101.5-171.3-178.1-9.3000112.1D77 N110 R111D77-N108 PolarHBondContact OD1-N 2.93Å; D77-N108 WeakPolarHBondContact OD2-CB 3.44Å; D77-N108 PolarHBondContact OD2-N 3.27Å; N108-N110 PolarHBondContact O-N 3.31Å; N108-N110 VanDerWaalsContact O-N 3.09Å; N108-N110 PolarHBondContact OD1-N 3.3Å; N108-R111 HydrophobicContact CB-CB 4.09Å; N108-R111 WeakPolarHBondContact O-CB 3.21Å; N108-R111 PolarHBondContact O-N 2.93Å; N108-R111 PolarHBondContact OD1-N 2.73Å
109I94.2Very high92.8Very high21 Ų2137.7 Ų37.711%0.10821%0.212CC..THydrogen-bonded Turntrans-55.9-25.4-179.1-161.6168.4000115.2L103 A107 L135 R138 A140L103-I109 HydrophobicContact CD2-CB 3.88Å; L103-I109 HydrophobicContact CD2-CD1 3.87Å; L103-I109 HydrophobicContact CD2-CG1 3.82Å; A107-I109 PolarHBondContact O-N 2.85Å; I109-L135 HydrophobicContact CD1-CD2 4Å; I109-L135 VanDerWaalsContact CD1-O 3.29Å; I109-L135 WeakPolarHBondContact CD1-O 3.24Å; I109-L135 HydrophobicContact CG1-CD2 3.67Å; I109-R138 HydrophobicContact CD1-CB 3.49Å; I109-R138 VanDerWaalsContact CD1-CB 3.49Å; I109-A140 HydrophobicContact CD1-CB 3.91Å; I109-A140 HydrophobicContact CG1-CB 3.89Å
110N93.7Very high92.7Very high48 Ų4837.7 Ų37.726%0.25721%0.212SC..THydrogen-bonded Turntrans-11313.6-177.6-69.8-40.4000112.6N108 Q112 G139 A140 N141 L144N108-N110 PolarHBondContact O-N 3.31Å; N108-N110 VanDerWaalsContact O-N 3.09Å; N108-N110 PolarHBondContact OD1-N 3.3Å; N110-Q112 PolarHBondContact O-N 2.84Å; N110-G139 PolarHBondContact ND2-O 2.99Å; N110-A140 WeakPolarHBondContact OD1-CA 3.34Å; N110-N141 PolarHBondContact OD1-N 3.47Å; N110-L144 HydrophobicContact CB-CD1 3.97Å
111R91.9Very high92.6Very high114 Ų11435.2 Ų35.243%0.4320%0.201SC..  trans-59.4136.4170.8-171.371.6-172.4-160.32.7109.1T85 H88 N108 P119T85-R111 HydrophobicContact CG2-CG 3.99Å; H88-R111 PolarHBondContact CE1-O 2.83Å; H88-R111 PolarHBondContact NE2-O 3.27Å; N108-R111 HydrophobicContact CB-CB 4.09Å; N108-R111 WeakPolarHBondContact O-CB 3.21Å; N108-R111 PolarHBondContact O-N 2.93Å; N108-R111 PolarHBondContact OD1-N 2.73Å; R111-P119 VanDerWaalsContact O-CD 3.27Å; R111-P119 WeakPolarHBondContact O-CD 3.33Å
112Q92.1Very high92.6Very high77 Ų7734 Ų3436%0.3619%0.194SC..  trans-99.8143171.6-70.1177.9-80.900110.6N110 G116 F117 T118 T145N110-Q112 PolarHBondContact O-N 2.84Å; Q112-G116 WeakPolarHBondContact CG-O 3.3Å; Q112-G116 PolarHBondContact NE2-O 3.4Å; Q112-F117 WeakPolarHBondContact CA-O 3.44Å; Q112-T118 HydrophobicContact CG-CG2 3.7Å; Q112-T145 PolarHBondContact NE2-O 2.95Å
113S92.3Very high92.6Very high9 Ų934 Ų346%0.06319%0.194CC..  trans-69176.216564.70000111.7N84 H88 T115 G116 F117N84-S113 WeakPolarHBondContact OD1-CB 3.29Å; H88-S113 PolarHBondContact NE2-N 2.74Å; S113-T115 PolarHBondContact O-N 3.01Å; S113-T115 VanDerWaalsContact O-N 3.1Å; S113-G116 PolarHBondContact O-N 3.3Å; S113-F117 PolarHBondContact N-O 3.05Å; S113-F117 VanDerWaalsContact OG-CB 3.29Å; S113-F117 WeakPolarHBondContact OG-CB 3.47Å; S113-F117 PolarHBondContact OG-N 3.17Å; S113-F117 VanDerWaalsContact OG-N 3.12Å; S113-F117 PolarHBondContact OG-O 3.24Å; S113-F117 VanDerWaalsContact OG-O 3.05Å
114A88.4Confident92.5Very high47 Ų4733.1 Ų33.139%0.38819%0.19SC..THydrogen-bonded Turntrans-60-22.3-177.400000114.2K82K82-A114 WeakPolarHBondContact O-CB 3.28Å; K82-A114 PolarHBondContact O-N 2.9Å
115T86.3Confident92.5Very high23 Ų2331 Ų3114%0.14118%0.177CC..THydrogen-bonded Turntrans-111.424.7178.257.20000113S113 F117 E147S113-T115 PolarHBondContact O-N 3.01Å; S113-T115 VanDerWaalsContact O-N 3.1Å; T115-F117 VanDerWaalsContact C-N 3.3Å; T115-F117 PolarHBondContact O-N 3.39Å; T115-F117 WeakPolarHBondContact OG1-CD2 3.48Å; T115-F117 WeakPolarHBondContact OG1-CE2 3.15Å; T115-E147 VanDerWaalsContact CA-OE2 3.29Å; T115-E147 WeakPolarHBondContact CA-OE2 3.47Å
116G89.3Confident92.6Very high9 Ų931.5 Ų31.59%0.09317%0.174CC..SBendtrans78.3-6.2176.100000116.4Q112 S113 T118Q112-G116 WeakPolarHBondContact CG-O 3.3Å; Q112-G116 PolarHBondContact NE2-O 3.4Å; S113-G116 PolarHBondContact O-N 3.3Å; G116-T118 PolarHBondContact O-N 2.86Å
117F93Very high92.7Very high53 Ų5332.5 Ų32.523%0.23217%0.167CC..  trans-61.2136175.5-48.4-56.6000110.8H88 Q112 S113 T115 Y121 M122 T146H88-F117 PolarHBondContact NE2-O 3.35Å; H88-F117 VanDerWaalsContact NE2-O 3.15Å; Q112-F117 WeakPolarHBondContact CA-O 3.44Å; S113-F117 PolarHBondContact N-O 3.05Å; S113-F117 VanDerWaalsContact OG-CB 3.29Å; S113-F117 WeakPolarHBondContact OG-CB 3.47Å; S113-F117 PolarHBondContact OG-N 3.17Å; S113-F117 VanDerWaalsContact OG-N 3.12Å; S113-F117 PolarHBondContact OG-O 3.24Å; S113-F117 VanDerWaalsContact OG-O 3.05Å; T115-F117 VanDerWaalsContact C-N 3.3Å; T115-F117 PolarHBondContact O-N 3.39Å; T115-F117 WeakPolarHBondContact OG1-CD2 3.48Å; T115-F117 WeakPolarHBondContact OG1-CE2 3.15Å; F117-Y121 HydrophobicContact CB-CD1 4.08Å; F117-Y121 HydrophobicContact CB-CG 4.43Å; F117-Y121 AromaticContact CD1-CD1 3.45Å; F117-Y121 HydrophobicContact CD1-CD1 3.45Å; F117-Y121 VanDerWaalsContact CD1-CD1 3.45Å; F117-Y121 AromaticContact CD1-CE1 3.25Å; F117-Y121 HydrophobicContact CD1-CE1 3.25Å; F117-Y121 HydrophobicContact CD1-CE2 4.33Å; F117-Y121 HydrophobicContact CD1-CG 4.11Å; F117-Y121 AromaticContact CD1-CZ 3.73Å; F117-Y121 HydrophobicContact CE1-CD1 4.22Å; F117-Y121 AromaticContact CE1-CE1 3.54Å; F117-Y121 HydrophobicContact CE1-CE1 3.54Å; F117-Y121 AromaticContact CE1-CZ 3.82Å; F117-Y121 HydrophobicContact CG-CD1 4.08Å; F117-Y121 HydrophobicContact CG-CE1 4.22Å; F117-M122 HydrophobicContact CB-CE 3.9Å; F117-M122 HydrophobicContact CB-CG 4.37Å; F117-M122 HydrophobicContact CD2-CE 3.91Å; F117-M122 HydrophobicContact CG-CE 4.26Å; F117-T146 HydrophobicContact CD1-CG2 3.36Å; F117-T146 HydrophobicContact CE1-CG2 3.69Å; F117-T146 HydrophobicContact CG-CG2 4.42Å
118T93.9Very high92.7Very high2 Ų236.4 Ų36.41%0.01218%0.18CC..  trans-99.3166.6170.559.10000111.4Q112 G116 L120 Y121 M122 L144Q112-T118 HydrophobicContact CG-CG2 3.7Å; G116-T118 PolarHBondContact O-N 2.86Å; T118-L120 PolarHBondContact O-N 2.88Å; T118-Y121 WeakPolarHBondContact O-CB 3.25Å; T118-Y121 PolarHBondContact O-N 3.11Å; T118-Y121 VanDerWaalsContact O-N 3.13Å; T118-Y121 PolarHBondContact OG1-N 3.37Å; T118-M122 PolarHBondContact O-N 3.33Å; T118-L144 HydrophobicContact CG2-CB 4.01Å; T118-L144 HydrophobicContact CG2-CD1 3.81Å
119P95.6Very high92.7Very high0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-54.1-36.3168.9-27.935.4000113.4L87 S91 R111 M122 A123 L135L87-P119 HydrophobicContact CD2-CB 4.39Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4.07Å; L87-P119 HydrophobicContact CG-CG 3.92Å; S91-P119 WeakPolarHBondContact CB-O 3.2Å; R111-P119 VanDerWaalsContact O-CD 3.27Å; R111-P119 WeakPolarHBondContact O-CD 3.33Å; P119-M122 PolarHBondContact O-N 2.97Å; P119-A123 WeakPolarHBondContact O-CB 3.4Å; P119-A123 PolarHBondContact O-N 3.4Å; P119-L135 HydrophobicContact CB-CD1 4.24Å; P119-L135 HydrophobicContact CB-CD2 4.26Å
120L94.7Very high92.7Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-69.2-40.5176.5-179.863.8000112.2T118 A123 A124 V132 L135 L136 A140 Q142 P152T118-L120 PolarHBondContact O-N 2.88Å; L120-A123 PolarHBondContact O-N 2.91Å; L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 2.97Å; L120-V132 HydrophobicContact CD1-CB 4.45Å; L120-V132 HydrophobicContact CD1-CG1 3.99Å; L120-L135 HydrophobicContact CB-CD1 4.37Å; L120-L135 HydrophobicContact CD1-CB 4.17Å; L120-L135 HydrophobicContact CD1-CD1 4.48Å; L120-L136 HydrophobicContact CD1-CD2 4.2Å; L120-L136 HydrophobicContact CD1-CG 4.05Å; L120-L136 HydrophobicContact CD2-CD2 3.8Å; L120-A140 HydrophobicContact CB-CB 4.06Å; L120-A140 HydrophobicContact CD2-CB 3.85Å; L120-A140 HydrophobicContact CG-CB 4.37Å; L120-Q142 HydrophobicContact CD2-CB 3.9Å; L120-P152 HydrophobicContact CB-CG 4.45Å; L120-P152 HydrophobicContact CD2-CB 4.33Å; L120-P152 HydrophobicContact CD2-CG 4.02Å; L120-P152 HydrophobicContact CG-CB 4.05Å; L120-P152 HydrophobicContact CG-CG 3.94Å
121Y92.9Very high92.8Very high9 Ų936.6 Ų36.64%0.03518%0.182CC..Hα-helixtrans-59.1-47.3172.8-175.3-77.1000110.9F117 T118 A124 Q125 T146 F150 I155F117-Y121 HydrophobicContact CB-CD1 4.08Å; F117-Y121 HydrophobicContact CB-CG 4.43Å; F117-Y121 AromaticContact CD1-CD1 3.45Å; F117-Y121 HydrophobicContact CD1-CD1 3.45Å; F117-Y121 VanDerWaalsContact CD1-CD1 3.45Å; F117-Y121 AromaticContact CD1-CE1 3.25Å; F117-Y121 HydrophobicContact CD1-CE1 3.25Å; F117-Y121 HydrophobicContact CD1-CE2 4.33Å; F117-Y121 HydrophobicContact CD1-CG 4.11Å; F117-Y121 AromaticContact CD1-CZ 3.73Å; F117-Y121 HydrophobicContact CE1-CD1 4.22Å; F117-Y121 AromaticContact CE1-CE1 3.54Å; F117-Y121 HydrophobicContact CE1-CE1 3.54Å; F117-Y121 AromaticContact CE1-CZ 3.82Å; F117-Y121 HydrophobicContact CG-CD1 4.08Å; F117-Y121 HydrophobicContact CG-CE1 4.22Å; T118-Y121 WeakPolarHBondContact O-CB 3.25Å; T118-Y121 PolarHBondContact O-N 3.11Å; T118-Y121 VanDerWaalsContact O-N 3.13Å; T118-Y121 PolarHBondContact OG1-N 3.37Å; Y121-A124 PolarHBondContact O-N 3.42Å; Y121-Q125 WeakPolarHBondContact O-CB 3.22Å; Y121-Q125 PolarHBondContact O-N 3Å; Y121-T146 HydrophobicContact CD2-CG2 3.79Å; Y121-T146 HydrophobicContact CE1-CG2 4.41Å; Y121-T146 HydrophobicContact CE2-CG2 3.4Å; Y121-T146 HydrophobicContact CG-CG2 4.43Å; Y121-F150 HydrophobicContact CE2-CB 3.86Å; Y121-I155 HydrophobicContact CD1-CG2 4.38Å; Y121-I155 HydrophobicContact CD2-CB 4.41Å; Y121-I155 HydrophobicContact CD2-CG2 3.81Å; Y121-I155 HydrophobicContact CE1-CB 4.24Å; Y121-I155 HydrophobicContact CE1-CD1 4.45Å; Y121-I155 HydrophobicContact CE1-CG1 3.9Å; Y121-I155 HydrophobicContact CE1-CG2 4.25Å; Y121-I155 HydrophobicContact CE2-CB 3.75Å; Y121-I155 HydrophobicContact CE2-CG1 4.33Å; Y121-I155 HydrophobicContact CE2-CG2 3.67Å; Y121-I155 HydrophobicContact CG-CG2 4.17Å
122M94.5Very high92.9Very high15 Ų1531.2 Ų31.27%0.07416%0.161CC..Hα-helixtrans-65.4-40.5179.3-70.8-166.3173.100112.9N84 H88 L92 F117 T118 P119 A124 E126N84-M122 WeakPolarHBondContact OD1-CE 3.24Å; H88-M122 HydrophobicContact CB-SD 3.86Å; L92-M122 HydrophobicContact CB-CB 4.05Å; L92-M122 HydrophobicContact CB-SD 4.18Å; L92-M122 HydrophobicContact CD1-CB 3.72Å; L92-M122 HydrophobicContact CD1-CG 3.93Å; L92-M122 HydrophobicContact CD1-SD 4.14Å; F117-M122 HydrophobicContact CB-CE 3.9Å; F117-M122 HydrophobicContact CB-CG 4.37Å; F117-M122 HydrophobicContact CD2-CE 3.91Å; F117-M122 HydrophobicContact CG-CE 4.26Å; T118-M122 PolarHBondContact O-N 3.33Å; P119-M122 PolarHBondContact O-N 2.97Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 2.94Å; M122-E126 WeakPolarHBondContact O-CB 3.43Å; M122-E126 WeakPolarHBondContact O-CG 3.3Å; M122-E126 PolarHBondContact O-N 3.18Å
123A95.7Very high92.9Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-65.1-36173.900000112.3P119 L120 N127 R128 V131 V132 L135P119-A123 WeakPolarHBondContact O-CB 3.4Å; P119-A123 PolarHBondContact O-N 3.4Å; L120-A123 PolarHBondContact O-N 2.91Å; A123-N127 PolarHBondContact O-N 3.19Å; A123-R128 HydrophobicContact CB-CB 4.3Å; A123-R128 PolarHBondContact O-N 3.12Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.7Å; A123-V132 HydrophobicContact CB-CG2 3.69Å; A123-L135 HydrophobicContact CB-CD1 3.87Å
124A93Very high93Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-71.6-43178.100000112.4L120 Y121 M122 E126 N127 V132 P152 I155 H161 V164 L168L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 2.97Å; Y121-A124 PolarHBondContact O-N 3.42Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 2.94Å; A124-E126 PolarHBondContact O-N 3.06Å; A124-N127 PolarHBondContact O-N 3.25Å; A124-V132 HydrophobicContact CB-CG2 4.41Å; A124-P152 HydrophobicContact CB-CB 4.1Å; A124-I155 HydrophobicContact CB-CG2 4.23Å; A124-H161 PolarHBondContact O-CD2 3.35Å; A124-V164 HydrophobicContact CB-CG1 3.93Å; A124-L168 HydrophobicContact CB-CD1 4.47Å
125Q92.6Very high93.3Very high48 Ų4826.6 Ų26.622%0.22413%0.132CC..Hα-helixtrans-55.5-40.3174.8-178-172-68.800112.6Y121 I155 H161Y121-Q125 WeakPolarHBondContact O-CB 3.22Å; Y121-Q125 PolarHBondContact O-N 3Å; Q125-I155 HydrophobicContact CB-CD1 4.42Å; Q125-I155 HydrophobicContact CB-CG1 3.7Å; Q125-I155 HydrophobicContact CG-CD1 4.11Å; Q125-I155 HydrophobicContact CG-CG1 3.95Å; Q125-H161 PolarHBondContact O-CD2 3.48Å; Q125-H161 PolarHBondContact O-NE2 3.3Å
126E93.3Very high93.5Very high63 Ų6326.6 Ų26.629%0.29413%0.131SC..THydrogen-bonded Turntrans-97.615.2-169.9-66-69.9134.100113.3L92 M122 A124 R128L92-E126 HydrophobicContact CD1-CG 3.42Å; L92-E126 VanDerWaalsContact CD1-CG 3.42Å; L92-E126 HydrophobicContact CG-CG 3.85Å; L92-E126 WeakPolarHBondContact O-CB 3.19Å; L92-E126 WeakPolarHBondContact O-CG 3.21Å; M122-E126 WeakPolarHBondContact O-CB 3.43Å; M122-E126 WeakPolarHBondContact O-CG 3.3Å; M122-E126 PolarHBondContact O-N 3.18Å; A124-E126 PolarHBondContact O-N 3.06Å; E126-R128 HydrophobicContact CB-CG 3.72Å; E126-R128 WeakPolarHBondContact O-CD 3.41Å; E126-R128 PolarHBondContact O-N 3.08Å; E126-R128 PolarHBondContact O-NE 2.89Å; E126-R128 PolarHBondContact O-NH1 3.2Å; E126-R128 IonicContact OE2-CZ 2.74Å; E126-R128 IonicContact OE2-NH2 2.76Å; E126-R128 PolarHBondContact OE2-NH2 2.85Å
127N93.4Very high93.5Very high72 Ų7232.5 Ų32.539%0.38516%0.156SC..THydrogen-bonded Turntrans51.535.6-177.7-153.8-17.4000114.1A123 A124 L129 H161A123-N127 PolarHBondContact O-N 3.19Å; A124-N127 PolarHBondContact O-N 3.25Å; N127-L129 PolarHBondContact O-N 3.4Å; N127-H161 HydrophobicContact CB-CB 4.42Å; N127-H161 PolarHBondContact ND2-ND1 3.43Å
128R94Very high93.5Very high88 Ų8835.1 Ų35.133%0.33216%0.164SC..  trans-84.461.5-176.5-50.6-56.4-177.2-146.6-16.3110.3L92 A123 E126 N130 V131 V132L92-R128 PolarHBondContact O-NE 2.97Å; A123-R128 HydrophobicContact CB-CB 4.3Å; A123-R128 PolarHBondContact O-N 3.12Å; E126-R128 HydrophobicContact CB-CG 3.72Å; E126-R128 WeakPolarHBondContact O-CD 3.41Å; E126-R128 PolarHBondContact O-N 3.08Å; E126-R128 PolarHBondContact O-NE 2.89Å; E126-R128 PolarHBondContact O-NH1 3.2Å; E126-R128 IonicContact OE2-CZ 2.74Å; E126-R128 IonicContact OE2-NH2 2.76Å; E126-R128 PolarHBondContact OE2-NH2 2.85Å; R128-N130 VanDerWaalsContact C-N 3.33Å; R128-N130 PolarHBondContact O-N 3.28Å; R128-N130 VanDerWaalsContact O-N 3.15Å; R128-V131 HydrophobicContact CB-CB 3.91Å; R128-V131 HydrophobicContact CB-CG2 4.24Å; R128-V131 CarbonylContact O-C 3.58Å; R128-V131 WeakPolarHBondContact O-CA 3.25Å; R128-V131 WeakPolarHBondContact O-CB 3.46Å; R128-V131 PolarHBondContact O-N 2.81Å; R128-V132 PolarHBondContact O-N 3.32Å
129L92.1Very high93.3Very high24 Ų2437.3 Ų37.313%0.12619%0.188CC..Hα-helixtrans-45.5-50.7-171.3-167.868.2000113.5N127 V131 V132 D133 R163 V164N127-L129 PolarHBondContact O-N 3.4Å; L129-V131 PolarHBondContact O-N 3.21Å; L129-V132 WeakPolarHBondContact O-CB 3.49Å; L129-V132 PolarHBondContact O-N 3.32Å; L129-D133 WeakPolarHBondContact O-CB 3.47Å; L129-D133 PolarHBondContact O-N 2.88Å; L129-R163 HydrophobicContact CD1-CB 4.13Å; L129-R163 WeakPolarHBondContact CD1-O 3.42Å; L129-R163 HydrophobicContact CD2-CB 4.12Å; L129-V164 HydrophobicContact CB-CG2 4.48Å; L129-V164 HydrophobicContact CD1-CB 4.47Å; L129-V164 HydrophobicContact CD1-CG2 3.75Å
130N93.5Very high93.1Very high114 Ų11437.8 Ų37.861%0.6119%0.191SC*.Hα-helixtrans-61.7-28.2179.5-58.92.8000113.6Y96 R128 L134Y96-N130 HydrophobicContact CD2-CB 4.08Å; Y96-N130 HydrophobicContact CE2-CB 4.49Å; Y96-N130 WeakPolarHBondContact CE2-O 3.43Å; R128-N130 VanDerWaalsContact C-N 3.33Å; R128-N130 PolarHBondContact O-N 3.28Å; R128-N130 VanDerWaalsContact O-N 3.15Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.49Å
131V95.6Very high92.7Very high2 Ų241.1 Ų41.11%0.01221%0.209CC..Hα-helixtrans-83.3-42.1176.6173.40000110.6V99 A123 R128 L129 D133 L134 L135V99-V131 HydrophobicContact CG1-CG1 4.23Å; V99-V131 HydrophobicContact CG2-CG1 4.06Å; V99-V131 HydrophobicContact CG2-CG2 4.41Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.7Å; R128-V131 HydrophobicContact CB-CB 3.91Å; R128-V131 HydrophobicContact CB-CG2 4.24Å; R128-V131 CarbonylContact O-C 3.58Å; R128-V131 WeakPolarHBondContact O-CA 3.25Å; R128-V131 WeakPolarHBondContact O-CB 3.46Å; R128-V131 PolarHBondContact O-N 2.81Å; L129-V131 PolarHBondContact O-N 3.21Å; V131-D133 VanDerWaalsContact C-N 3.26Å; V131-D133 PolarHBondContact O-N 3.23Å; V131-L134 PolarHBondContact O-N 3.1Å; V131-L135 HydrophobicContact CG1-CD1 3.77Å; V131-L135 HydrophobicContact CG1-CG 4.24Å; V131-L135 WeakPolarHBondContact O-CB 3.43Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 2.99Å
132V93.8Very high92.4Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-54.2-46.8170.2171.50000109.9L120 A123 A124 R128 L129 L135 L136 V164 L168L120-V132 HydrophobicContact CD1-CB 4.45Å; L120-V132 HydrophobicContact CD1-CG1 3.99Å; A123-V132 HydrophobicContact CB-CG2 3.69Å; A124-V132 HydrophobicContact CB-CG2 4.41Å; R128-V132 PolarHBondContact O-N 3.32Å; L129-V132 WeakPolarHBondContact O-CB 3.49Å; L129-V132 PolarHBondContact O-N 3.32Å; V132-L135 PolarHBondContact O-N 2.85Å; V132-L136 HydrophobicContact CG1-CD1 3.72Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CB 3.5Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.47Å; V132-L136 PolarHBondContact O-N 2.75Å; V132-V164 HydrophobicContact CG1-CG1 4.36Å; V132-V164 HydrophobicContact CG2-CG1 4.21Å; V132-V164 HydrophobicContact CG2-CG2 4.42Å; V132-L168 HydrophobicContact CG1-CD2 4.49Å
133D92.9Very high91.9Very high29 Ų2943.7 Ų43.716%0.15523%0.229CC..Hα-helixtrans-61.1-48.6177.7-120.1-50000112.7L129 V131 L135 L136 Q137 H167 R171L129-D133 WeakPolarHBondContact O-CB 3.47Å; L129-D133 PolarHBondContact O-N 2.88Å; V131-D133 VanDerWaalsContact C-N 3.26Å; V131-D133 PolarHBondContact O-N 3.23Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 2.72Å; D133-L136 PolarHBondContact O-N 3.37Å; D133-Q137 VanDerWaalsContact O-CB 3.29Å; D133-Q137 WeakPolarHBondContact O-CB 3.23Å; D133-Q137 WeakPolarHBondContact O-CG 3.36Å; D133-Q137 PolarHBondContact O-N 3.2Å; D133-Q137 PolarHBondContact OD1-NE2 2.96Å; D133-Q137 VanDerWaalsContact OD1-NE2 3.1Å; D133-H167 IonicContact OD2-CD2 2.73Å; D133-H167 PolarHBondContact OD2-CD2 2.91Å; D133-H167 IonicContact OD2-NE2 2.82Å; D133-R171 IonicContact OD1-CZ 2.75Å; D133-R171 IonicContact OD1-NH1 3.59Å; D133-R171 PolarHBondContact OD1-NH1 3.5Å; D133-R171 IonicContact OD1-NH2 3.62Å; D133-R171 PolarHBondContact OD1-NH2 3.24Å
134L94.3Very high91.4Very high8 Ų845.8 Ų45.84%0.04224%0.24CC..Hα-helixtrans-60.8-42.7177.3177.361.9000111.8Y96 V99 K100 L103 N130 V131 Q137 R138Y96-L134 HydrophobicContact CD2-CD2 4.08Å; Y96-L134 HydrophobicContact CE2-CB 3.98Å; Y96-L134 HydrophobicContact CE2-CD2 3.8Å; Y96-L134 HydrophobicContact CE2-CG 4.36Å; V99-L134 HydrophobicContact CB-CD2 4.41Å; V99-L134 HydrophobicContact CG1-CD2 3.87Å; K100-L134 HydrophobicContact CB-CD2 3.91Å; L103-L134 HydrophobicContact CD1-CD2 4.28Å; L103-L134 HydrophobicContact CD1-CG 4.1Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.49Å; V131-L134 PolarHBondContact O-N 3.1Å; L134-Q137 PolarHBondContact O-N 2.94Å; L134-R138 HydrophobicContact CD1-CG 4.16Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 WeakPolarHBondContact O-CG 3.22Å; L134-R138 PolarHBondContact O-N 3.46Å
135L94.5Very high90.9Very high0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-65.1-47.4178.7-72.6169.6000111V99 L103 I109 P119 L120 A123 V131 V132 D133 Q137 R138 G139 A140V99-L135 HydrophobicContact CG1-CD2 4.39Å; L103-L135 HydrophobicContact CD1-CD2 4.04Å; L103-L135 HydrophobicContact CD2-CD2 4.44Å; I109-L135 HydrophobicContact CD1-CD2 4Å; I109-L135 VanDerWaalsContact CD1-O 3.29Å; I109-L135 WeakPolarHBondContact CD1-O 3.24Å; I109-L135 HydrophobicContact CG1-CD2 3.67Å; P119-L135 HydrophobicContact CB-CD1 4.24Å; P119-L135 HydrophobicContact CB-CD2 4.26Å; L120-L135 HydrophobicContact CB-CD1 4.37Å; L120-L135 HydrophobicContact CD1-CB 4.17Å; L120-L135 HydrophobicContact CD1-CD1 4.48Å; A123-L135 HydrophobicContact CB-CD1 3.87Å; V131-L135 HydrophobicContact CG1-CD1 3.77Å; V131-L135 HydrophobicContact CG1-CG 4.24Å; V131-L135 WeakPolarHBondContact O-CB 3.43Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 2.99Å; V132-L135 PolarHBondContact O-N 2.85Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 2.72Å; L135-Q137 PolarHBondContact O-N 3.42Å; L135-R138 CarbonylContact O-C 3.58Å; L135-R138 PolarHBondContact O-N 3.4Å; L135-R138 VanDerWaalsContact O-N 3.12Å; L135-G139 PolarHBondContact O-N 2.74Å; L135-G139 VanDerWaalsContact O-N 3.17Å; L135-A140 HydrophobicContact CB-CB 3.82Å; L135-A140 WeakPolarHBondContact O-CB 3.35Å; L135-A140 PolarHBondContact O-N 3.04Å
136L91Very high90.6Very high22 Ų2246.6 Ų46.612%0.11525%0.248CC..Hα-helixtrans-62.7-42.3176.3-69.3169.6000111.9L120 V132 D133 R138 G139 Q142 L168L120-L136 HydrophobicContact CD1-CD2 4.2Å; L120-L136 HydrophobicContact CD1-CG 4.05Å; L120-L136 HydrophobicContact CD2-CD2 3.8Å; V132-L136 HydrophobicContact CG1-CD1 3.72Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CB 3.5Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.47Å; V132-L136 PolarHBondContact O-N 2.75Å; D133-L136 PolarHBondContact O-N 3.37Å; L136-R138 PolarHBondContact O-N 2.84Å; L136-G139 PolarHBondContact O-N 2.95Å; L136-G139 VanDerWaalsContact O-N 3.14Å; L136-Q142 HydrophobicContact CD2-CB 4.38Å; L136-L168 HydrophobicContact CD1-CD2 3.97Å; L136-L168 HydrophobicContact CD2-CD2 4.26Å
137Q90.2Very high89.9Confident133 Ų13350.2 Ų50.262%0.62127%0.265SS*.Hα-helixtrans-63-23.9174.8-72.7169.436.600113.3D133 L134 L135D133-Q137 VanDerWaalsContact O-CB 3.29Å; D133-Q137 WeakPolarHBondContact O-CB 3.23Å; D133-Q137 WeakPolarHBondContact O-CG 3.36Å; D133-Q137 PolarHBondContact O-N 3.2Å; D133-Q137 PolarHBondContact OD1-NE2 2.96Å; D133-Q137 VanDerWaalsContact OD1-NE2 3.1Å; L134-Q137 PolarHBondContact O-N 2.94Å; L135-Q137 PolarHBondContact O-N 3.42Å
138R91.7Very high88.9Confident108 Ų10852.1 Ų52.141%0.40828%0.275SS..THydrogen-bonded Turntrans-98.27.3177.1-65.5-66.8-171.994.62.6113.8L103 D104 I109 L134 L135 L136L103-R138 HydrophobicContact CD1-CB 4.45Å; L103-R138 HydrophobicContact CD1-CG 4.22Å; D104-R138 IonicContact OD1-CZ 3.52Å; D104-R138 IonicContact OD1-NH1 2.74Å; D104-R138 PolarHBondContact OD1-NH1 2.95Å; D104-R138 IonicContact OD1-NH2 3.54Å; D104-R138 PolarHBondContact OD1-NH2 3.21Å; D104-R138 IonicContact OD2-NH2 2.84Å; I109-R138 HydrophobicContact CD1-CB 3.49Å; I109-R138 VanDerWaalsContact CD1-CB 3.49Å; L134-R138 HydrophobicContact CD1-CG 4.16Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 WeakPolarHBondContact O-CG 3.22Å; L134-R138 PolarHBondContact O-N 3.46Å; L135-R138 CarbonylContact O-C 3.58Å; L135-R138 PolarHBondContact O-N 3.4Å; L135-R138 VanDerWaalsContact O-N 3.12Å; L136-R138 PolarHBondContact O-N 2.84Å
139G89.4Confident87.9Confident49 Ų4949.3 Ų49.351%0.50527%0.274SS..THydrogen-bonded Turntrans90.627173.700000115.7N110 L135 L136 N141N110-G139 PolarHBondContact ND2-O 2.99Å; L135-G139 PolarHBondContact O-N 2.74Å; L135-G139 VanDerWaalsContact O-N 3.17Å; L136-G139 PolarHBondContact O-N 2.95Å; L136-G139 VanDerWaalsContact O-N 3.14Å; G139-N141 PolarHBondContact O-N 3.44Å
140A91.4Very high87.3Confident9 Ų949.9 Ų49.97%0.07428%0.276CS..  trans-63.6131.6170.700000111.4I109 N110 L120 L135 Q142I109-A140 HydrophobicContact CD1-CB 3.91Å; I109-A140 HydrophobicContact CG1-CB 3.89Å; N110-A140 WeakPolarHBondContact OD1-CA 3.34Å; L120-A140 HydrophobicContact CB-CB 4.06Å; L120-A140 HydrophobicContact CD2-CB 3.85Å; L120-A140 HydrophobicContact CG-CB 4.37Å; L135-A140 HydrophobicContact CB-CB 3.82Å; L135-A140 WeakPolarHBondContact O-CB 3.35Å; L135-A140 PolarHBondContact O-N 3.04Å; A140-Q142 PolarHBondContact O-N 3.01Å
141N87.1Confident86.9Confident70 Ų7044.7 Ų44.737%0.37425%0.248SC..  trans-8997.7-175-176.26.4000111.3N110 G139 A143 L144N110-N141 PolarHBondContact OD1-N 3.47Å; G139-N141 PolarHBondContact O-N 3.44Å; N141-A143 PolarHBondContact O-N 3.37Å; N141-A143 VanDerWaalsContact O-N 3.17Å; N141-A143 WeakPolarHBondContact OD1-CB 3.36Å; N141-A143 PolarHBondContact OD1-N 3.26Å; N141-L144 HydrophobicContact CB-CD1 3.97Å; N141-L144 HydrophobicContact CB-CG 4.01Å; N141-L144 PolarHBondContact O-N 3.09Å
142Q87.4Confident86.5Confident33 Ų3344.6 Ų44.615%0.15425%0.247CC..THydrogen-bonded Turntrans-63.5-11.8176.270.7-148.8-900115.1L120 L136 A140 P152 L168 R171 D172L120-Q142 HydrophobicContact CD2-CB 3.9Å; L136-Q142 HydrophobicContact CD2-CB 4.38Å; A140-Q142 PolarHBondContact O-N 3.01Å; Q142-P152 WeakPolarHBondContact O-CD 3.39Å; Q142-L168 HydrophobicContact CB-CD2 4.27Å; Q142-R171 PolarHBondContact NE2-O 3.42Å; Q142-D172 HydrophobicContact CG-CB 4.13Å; Q142-D172 VanDerWaalsContact NE2-CA 3.34Å; Q142-D172 VanDerWaalsContact NE2-CB 3.25Å
143A83.1Confident86.1Confident46 Ų4645.3 Ų45.338%0.3825%0.251SS..THydrogen-bonded Turntrans-87-3.6176.300000113.8N141N141-A143 PolarHBondContact O-N 3.37Å; N141-A143 VanDerWaalsContact O-N 3.17Å; N141-A143 WeakPolarHBondContact OD1-CB 3.36Å; N141-A143 PolarHBondContact OD1-N 3.26Å
144L84.2Confident85.6Confident43 Ų4343.9 Ų43.923%0.22524%0.244CC..  trans-73.9128.1173.9-67.5173.1000110.5N110 T118 N141N110-L144 HydrophobicContact CB-CD1 3.97Å; T118-L144 HydrophobicContact CG2-CB 4.01Å; T118-L144 HydrophobicContact CG2-CD1 3.81Å; N141-L144 HydrophobicContact CB-CD1 3.97Å; N141-L144 HydrophobicContact CB-CG 4.01Å; N141-L144 PolarHBondContact O-N 3.09Å
145T83.7Confident85.2Confident59 Ų5943.5 Ų43.536%0.36224%0.242SC..  trans-99.1157.8177.155.50000112.1Q112 G149 F150 T151Q112-T145 PolarHBondContact NE2-O 2.95Å; T145-G149 WeakPolarHBondContact CG2-O 3.43Å; T145-F150 CarbonylContact C-O 3.47Å; T145-F150 WeakPolarHBondContact CA-O 3.47Å; T145-T151 HydrophobicContact CG2-CG2 3.8Å
146T85.5Confident84.9Confident6 Ų643.5 Ų43.54%0.03724%0.242CC..  trans-67.3174.7159.561.30000111.5F117 Y121 D148 G149 F150F117-T146 HydrophobicContact CD1-CG2 3.36Å; F117-T146 HydrophobicContact CE1-CG2 3.69Å; F117-T146 HydrophobicContact CG-CG2 4.42Å; Y121-T146 HydrophobicContact CD2-CG2 3.79Å; Y121-T146 HydrophobicContact CE1-CG2 4.41Å; Y121-T146 HydrophobicContact CE2-CG2 3.4Å; Y121-T146 HydrophobicContact CG-CG2 4.43Å; T146-D148 PolarHBondContact O-N 2.92Å; T146-D148 PolarHBondContact OG1-N 2.84Å; T146-G149 PolarHBondContact O-N 2.87Å; T146-G149 PolarHBondContact OG1-N 2.86Å; T146-F150 PolarHBondContact N-O 3.48Å; T146-F150 PolarHBondContact OG1-N 3.15Å
147E79.4Confident84.5Confident139 Ų13942.8 Ų42.865%0.6524%0.238SC*.THydrogen-bonded Turntrans-57.9-39.7169.2-63.1179.2137.500111.3T115 G149T115-E147 VanDerWaalsContact CA-OE2 3.29Å; T115-E147 WeakPolarHBondContact CA-OE2 3.47Å; E147-G149 PolarHBondContact O-N 3.45Å; E147-G149 VanDerWaalsContact O-N 3.13Å
148D71.4Confident84.2Confident112 Ų11237.9 Ų37.960%0.59922%0.215SC*.THydrogen-bonded Turntrans-68.8-0.6172.7-52.1-58.9000114.5T146 F150T146-D148 PolarHBondContact O-N 2.92Å; T146-D148 PolarHBondContact OG1-N 2.84Å; D148-F150 HydrophobicContact CB-CD2 3.7Å; D148-F150 HydrophobicContact CB-CE2 4.03Å
149G73Confident83.8Confident30 Ų3036.9 Ų36.931%0.30922%0.215SC..  trans81.66.7179.500000116.3T145 T146 E147T145-G149 WeakPolarHBondContact CG2-O 3.43Å; T146-G149 PolarHBondContact O-N 2.87Å; T146-G149 PolarHBondContact OG1-N 2.86Å; E147-G149 PolarHBondContact O-N 3.45Å; E147-G149 VanDerWaalsContact O-N 3.13Å
150F79.9Confident83.4Confident36 Ų3636.6 Ų36.616%0.15821%0.212CC..  trans-80.2128.3-179.3-73.5-99000112.1Y121 T145 T146 D148 A154 I184 W1935Y121-F150 HydrophobicContact CE2-CB 3.86Å; T145-F150 CarbonylContact C-O 3.47Å; T145-F150 WeakPolarHBondContact CA-O 3.47Å; T146-F150 PolarHBondContact N-O 3.48Å; T146-F150 PolarHBondContact OG1-N 3.15Å; D148-F150 HydrophobicContact CB-CD2 3.7Å; D148-F150 HydrophobicContact CB-CE2 4.03Å; F150-A154 HydrophobicContact CB-CB 4.41Å; F150-A154 HydrophobicContact CD1-CB 3.8Å; F150-I184 HydrophobicContact CD1-CD1 4.31Å; F150-I184 HydrophobicContact CE1-CD1 3.89Å; F150-W1935 AromaticContact CD1-CZ2 3.93Å; F150-W1935 HydrophobicContact CD1-CZ2 3.93Å; F150-W1935 AromaticContact CE1-CZ2 3.57Å; F150-W1935 HydrophobicContact CE1-CZ2 3.57Å; F150-W1935 HydrophobicContact CE2-CZ2 4.36Å; F150-W1935 AromaticContact CE2-NE1 3.56Å; F150-W1935 HydrophobicContact CG-CZ2 4.49Å; F150-W1935 AromaticContact CZ-CE2 3.95Å; F150-W1935 AromaticContact CZ-CZ2 3.8Å; F150-W1935 HydrophobicContact CZ-CZ2 3.8Å; F150-W1935 AromaticContact CZ-NE1 3.47Å
151T85.6Confident83.2Confident4 Ų437.6 Ų37.63%0.02522%0.215CC..  trans-84163.2167.958.10000111.5T145 L153 A154 I155T145-T151 HydrophobicContact CG2-CG2 3.8Å; T151-L153 PolarHBondContact O-N 3.09Å; T151-L153 VanDerWaalsContact O-N 3.15Å; T151-A154 PolarHBondContact O-N 3.36Å; T151-A154 PolarHBondContact OG1-N 3.08Å; T151-A154 VanDerWaalsContact OG1-N 3.17Å; T151-I155 PolarHBondContact O-N 2.89Å
152P87.8Confident82.8Confident0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-50-32.5167.5-30.237000114.4L120 A124 Q142 I155 A156 L168L120-P152 HydrophobicContact CB-CG 4.45Å; L120-P152 HydrophobicContact CD2-CB 4.33Å; L120-P152 HydrophobicContact CD2-CG 4.02Å; L120-P152 HydrophobicContact CG-CB 4.05Å; L120-P152 HydrophobicContact CG-CG 3.94Å; A124-P152 HydrophobicContact CB-CB 4.1Å; Q142-P152 WeakPolarHBondContact O-CD 3.39Å; P152-I155 WeakPolarHBondContact O-CG2 3.46Å; P152-A156 VanDerWaalsContact O-CB 3.31Å; P152-A156 WeakPolarHBondContact O-CB 3.48Å; P152-A156 PolarHBondContact O-N 3.44Å; P152-A156 VanDerWaalsContact O-N 3.14Å; P152-L168 HydrophobicContact CB-CD1 4.24Å; P152-L168 HydrophobicContact CB-CD2 4.41Å
153L85.5Confident82.7Confident15 Ų1546.4 Ų46.48%0.07925%0.25CS..Hα-helixtrans-71.9-42.2174.7176.661.7000112.1T151 A156 L157 V165 L168 L169 A181 L197T151-L153 PolarHBondContact O-N 3.09Å; T151-L153 VanDerWaalsContact O-N 3.15Å; L153-A156 PolarHBondContact O-N 3.19Å; L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 4.05Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.8Å; L153-V165 HydrophobicContact CD1-CG1 4.07Å; L153-L168 HydrophobicContact CB-CD1 4.34Å; L153-L168 HydrophobicContact CD1-CB 4.2Å; L153-L169 HydrophobicContact CD1-CD1 4.47Å; L153-L169 HydrophobicContact CD1-CD2 4.17Å; L153-L169 HydrophobicContact CD1-CG 3.94Å; L153-L169 HydrophobicContact CD2-CD2 3.7Å; L153-L169 HydrophobicContact CD2-CG 4.37Å; L153-A181 HydrophobicContact CD2-CB 4.35Å; L153-A181 HydrophobicContact CG-CB 4.44Å; L153-L197 HydrophobicContact CD2-CD2 4.35Å
154A81.1Confident82.9Confident0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-65.6-40.2179.100000112.5F150 T151 Q158 I184F150-A154 HydrophobicContact CB-CB 4.41Å; F150-A154 HydrophobicContact CD1-CB 3.8Å; T151-A154 PolarHBondContact O-N 3.36Å; T151-A154 PolarHBondContact OG1-N 3.08Å; T151-A154 VanDerWaalsContact OG1-N 3.17Å; A154-Q158 WeakPolarHBondContact O-CB 3.25Å; A154-Q158 PolarHBondContact O-N 2.99Å; A154-I184 HydrophobicContact CB-CD1 3.8Å
155I86.5Confident82.8Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-67.7-41.9173.6-17659.3000111.6Y121 A124 Q125 T151 P152 L157 Q158 Q159 W1935Y121-I155 HydrophobicContact CD1-CG2 4.38Å; Y121-I155 HydrophobicContact CD2-CB 4.41Å; Y121-I155 HydrophobicContact CD2-CG2 3.81Å; Y121-I155 HydrophobicContact CE1-CB 4.24Å; Y121-I155 HydrophobicContact CE1-CD1 4.45Å; Y121-I155 HydrophobicContact CE1-CG1 3.9Å; Y121-I155 HydrophobicContact CE1-CG2 4.25Å; Y121-I155 HydrophobicContact CE2-CB 3.75Å; Y121-I155 HydrophobicContact CE2-CG1 4.33Å; Y121-I155 HydrophobicContact CE2-CG2 3.67Å; Y121-I155 HydrophobicContact CG-CG2 4.17Å; A124-I155 HydrophobicContact CB-CG2 4.23Å; Q125-I155 HydrophobicContact CB-CD1 4.42Å; Q125-I155 HydrophobicContact CB-CG1 3.7Å; Q125-I155 HydrophobicContact CG-CD1 4.11Å; Q125-I155 HydrophobicContact CG-CG1 3.95Å; T151-I155 PolarHBondContact O-N 2.89Å; P152-I155 WeakPolarHBondContact O-CG2 3.46Å; I155-L157 VanDerWaalsContact C-N 3.34Å; I155-L157 PolarHBondContact O-N 3.41Å; I155-Q158 PolarHBondContact O-N 3.24Å; I155-Q159 HydrophobicContact CD1-CG 3.87Å; I155-Q159 HydrophobicContact CG1-CG 4.32Å; I155-Q159 WeakPolarHBondContact O-CB 3.49Å; I155-Q159 VanDerWaalsContact O-CG 3.25Å; I155-Q159 WeakPolarHBondContact O-CG 3.29Å; I155-Q159 PolarHBondContact O-N 2.75Å; I155-W1935 HydrophobicContact CD1-CH2 3.23Å; I155-W1935 HydrophobicContact CD1-CZ2 4.09Å; I155-W1935 HydrophobicContact CD1-CZ3 3.7Å
156A87.6Confident82.6Confident0 Ų041.1 Ų41.10%022%0.218CC..Hα-helixtrans-61.5-40.1176.400000112.5P152 L153 G160 H161 V164 V165 L168P152-A156 VanDerWaalsContact O-CB 3.31Å; P152-A156 WeakPolarHBondContact O-CB 3.48Å; P152-A156 PolarHBondContact O-N 3.44Å; P152-A156 VanDerWaalsContact O-N 3.14Å; L153-A156 PolarHBondContact O-N 3.19Å; A156-G160 PolarHBondContact O-N 3.04Å; A156-G160 VanDerWaalsContact O-N 3.09Å; A156-H161 PolarHBondContact O-N 2.92Å; A156-V164 HydrophobicContact CB-CB 4.36Å; A156-V164 HydrophobicContact CB-CG1 3.76Å; A156-V165 HydrophobicContact CB-CG2 3.7Å; A156-L168 HydrophobicContact CB-CD1 4.24Å
157L83.7Confident82.4Confident7 Ų743.2 Ų43.24%0.03723%0.227CC..Hα-helixtrans-67.6-40.4174.4-76.7166.2000112.9L153 I155 Q159 G160 V165 A181 I184 A193 L197L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 4.05Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.8Å; I155-L157 VanDerWaalsContact C-N 3.34Å; I155-L157 PolarHBondContact O-N 3.41Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.5Å; L157-G160 PolarHBondContact O-N 3.01Å; L157-V165 HydrophobicContact CD2-CB 4.41Å; L157-V165 HydrophobicContact CD2-CG1 3.62Å; L157-V165 HydrophobicContact CD2-CG2 3.85Å; L157-V165 HydrophobicContact CG-CG1 4.13Å; L157-V165 HydrophobicContact CG-CG2 3.88Å; L157-A181 HydrophobicContact CD1-CB 3.5Å; L157-A181 VanDerWaalsContact CD1-CB 3.5Å; L157-I184 HydrophobicContact CB-CB 4.5Å; L157-I184 HydrophobicContact CB-CG2 3.78Å; L157-A193 HydrophobicContact CD2-CB 3.48Å; L157-A193 VanDerWaalsContact CD2-CB 3.48Å; L157-L197 HydrophobicContact CD1-CD1 4.48Å
158Q82.7Confident82.7Confident30 Ų3036.7 Ų36.714%0.1420%0.197CC..Hα-helixtrans-70-28.8179.8-178.3156.8-30.200112.4A154 I155 I184 K188 W1935A154-Q158 WeakPolarHBondContact O-CB 3.25Å; A154-Q158 PolarHBondContact O-N 2.99Å; I155-Q158 PolarHBondContact O-N 3.24Å; Q158-I184 HydrophobicContact CB-CG2 3.89Å; Q158-K188 WeakPolarHBondContact O-CE 3.48Å; Q158-W1935 HydrophobicContact CB-CH2 3.78Å; Q158-W1935 HydrophobicContact CB-CZ2 4.42Å; Q158-W1935 HydrophobicContact CG-CH2 3.46Å; Q158-W1935 VanDerWaalsContact CG-CH2 3.46Å; Q158-W1935 HydrophobicContact CG-CZ2 4.1Å; Q158-W1935 HydrophobicContact CG-CZ3 3.88Å; Q158-W1935 VanDerWaalsContact NE2-CZ2 3.27Å; Q158-W1935 VanDerWaalsContact NE2-CZ3 3.32Å
159Q84.5Confident82.9Confident86 Ų8633 Ų3340%0.40218%0.177SC..Hα-helixtrans-88.8-8.2176.3-59.8-70.54.300114.3I155 L157 H161I155-Q159 HydrophobicContact CD1-CG 3.87Å; I155-Q159 HydrophobicContact CG1-CG 4.32Å; I155-Q159 WeakPolarHBondContact O-CB 3.49Å; I155-Q159 VanDerWaalsContact O-CG 3.25Å; I155-Q159 WeakPolarHBondContact O-CG 3.29Å; I155-Q159 PolarHBondContact O-N 2.75Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.5Å; Q159-H161 VanDerWaalsContact CB-CD2 3.49Å; Q159-H161 WeakPolarHBondContact CB-CD2 3.31Å; Q159-H161 VanDerWaalsContact CB-NE2 3.29Å; Q159-H161 WeakPolarHBondContact CB-NE2 3.39Å
160G81.4Confident83Confident44 Ų4438.2 Ų38.245%0.45419%0.193SC..THydrogen-bonded Turntrans75.233.8179.200000114.8A156 L157 D162A156-G160 PolarHBondContact O-N 3.04Å; A156-G160 VanDerWaalsContact O-N 3.09Å; L157-G160 PolarHBondContact O-N 3.01Å; G160-D162 PolarHBondContact O-N 2.85Å
161H86Confident82.4Confident30 Ų3041.4 Ų41.414%0.13920%0.204CC..  trans-92.663.8-176.2-62.6-35.9000112.5A124 Q125 N127 A156 Q159 R163 V164 V165A124-H161 PolarHBondContact O-CD2 3.35Å; Q125-H161 PolarHBondContact O-CD2 3.48Å; Q125-H161 PolarHBondContact O-NE2 3.3Å; N127-H161 HydrophobicContact CB-CB 4.42Å; N127-H161 PolarHBondContact ND2-ND1 3.43Å; A156-H161 PolarHBondContact O-N 2.92Å; Q159-H161 VanDerWaalsContact CB-CD2 3.49Å; Q159-H161 WeakPolarHBondContact CB-CD2 3.31Å; Q159-H161 VanDerWaalsContact CB-NE2 3.29Å; Q159-H161 WeakPolarHBondContact CB-NE2 3.39Å; H161-R163 PolarHBondContact O-N 2.86Å; H161-V164 HydrophobicContact CB-CB 4.05Å; H161-V164 HydrophobicContact CB-CG2 4.33Å; H161-V164 WeakPolarHBondContact O-CA 3.41Å; H161-V164 WeakPolarHBondContact O-CB 3.43Å; H161-V164 PolarHBondContact O-N 3.41Å; H161-V165 PolarHBondContact O-N 3.38Å
162D80.2Confident81.1Confident110 Ų11042.8 Ų42.859%0.58821%0.211SC*.Hα-helixtrans-40.7-42.9-172.4-55.8-7.5000115G160 V165 A166G160-D162 PolarHBondContact O-N 2.85Å; D162-V165 PolarHBondContact O-N 3.42Å; D162-A166 WeakPolarHBondContact O-CB 3.37Å; D162-A166 PolarHBondContact O-N 3.23Å
163R84.4Confident79.4Confident177 Ų17746.2 Ų46.267%0.66824%0.235SC*.Hα-helixtrans-72-34.4-177.7-57.2-173.368.9174.81.4112.8L129 H161 H167L129-R163 HydrophobicContact CD1-CB 4.13Å; L129-R163 WeakPolarHBondContact CD1-O 3.42Å; L129-R163 HydrophobicContact CD2-CB 4.12Å; H161-R163 PolarHBondContact O-N 2.86Å; R163-H167 PolarHBondContact O-N 3.07Å
164V86.6Confident77.9Confident0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-73.6-41.7172.7171.60000109.9A124 L129 V132 A156 H161 A166 H167 L168A124-V164 HydrophobicContact CB-CG1 3.93Å; L129-V164 HydrophobicContact CB-CG2 4.48Å; L129-V164 HydrophobicContact CD1-CB 4.47Å; L129-V164 HydrophobicContact CD1-CG2 3.75Å; V132-V164 HydrophobicContact CG1-CG1 4.36Å; V132-V164 HydrophobicContact CG2-CG1 4.21Å; V132-V164 HydrophobicContact CG2-CG2 4.42Å; A156-V164 HydrophobicContact CB-CB 4.36Å; A156-V164 HydrophobicContact CB-CG1 3.76Å; H161-V164 HydrophobicContact CB-CB 4.05Å; H161-V164 HydrophobicContact CB-CG2 4.33Å; H161-V164 WeakPolarHBondContact O-CA 3.41Å; H161-V164 WeakPolarHBondContact O-CB 3.43Å; H161-V164 PolarHBondContact O-N 3.41Å; V164-A166 VanDerWaalsContact C-N 3.34Å; V164-A166 PolarHBondContact O-N 2.97Å; V164-H167 PolarHBondContact O-N 2.81Å; V164-L168 HydrophobicContact CG1-CD1 3.74Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.22Å
165V82.5Confident76.4Confident6 Ų657.3 Ų57.34%0.03628%0.281CS..Hα-helixtrans-56.2-48.1173.4171.60000110.6L153 A156 L157 H161 D162 L168 L169 A193L153-V165 HydrophobicContact CD1-CG1 4.07Å; A156-V165 HydrophobicContact CB-CG2 3.7Å; L157-V165 HydrophobicContact CD2-CB 4.41Å; L157-V165 HydrophobicContact CD2-CG1 3.62Å; L157-V165 HydrophobicContact CD2-CG2 3.85Å; L157-V165 HydrophobicContact CG-CG1 4.13Å; L157-V165 HydrophobicContact CG-CG2 3.88Å; H161-V165 PolarHBondContact O-N 3.38Å; D162-V165 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.49Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.37Å; V165-L169 PolarHBondContact O-N 3.46Å; V165-A193 HydrophobicContact CG1-CB 4.46Å
166A79.7Confident74.6Confident31 Ų3168.4 Ų68.426%0.25632%0.323SS..Hα-helixtrans-58.8-53.5176.700000112.5D162 V164 L168 L169 E170D162-A166 WeakPolarHBondContact O-CB 3.37Å; D162-A166 PolarHBondContact O-N 3.23Å; V164-A166 VanDerWaalsContact C-N 3.34Å; V164-A166 PolarHBondContact O-N 2.97Å; A166-L168 VanDerWaalsContact C-N 3.29Å; A166-L168 PolarHBondContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 3.46Å; A166-E170 WeakPolarHBondContact O-CB 3.35Å; A166-E170 VanDerWaalsContact O-CG 3.29Å; A166-E170 WeakPolarHBondContact O-CG 3.02Å; A166-E170 PolarHBondContact O-N 3.04Å
167H82.2Confident72.5Confident50 Ų5069.1 Ų69.123%0.23133%0.331CS..Hα-helixtrans-68.6-23.2-178.7-70.8-14.4000114.3D133 R163 V164 E170D133-H167 IonicContact OD2-CD2 2.73Å; D133-H167 PolarHBondContact OD2-CD2 2.91Å; D133-H167 IonicContact OD2-NE2 2.82Å; R163-H167 PolarHBondContact O-N 3.07Å; V164-H167 PolarHBondContact O-N 2.81Å; H167-E170 IonicContact CE1-OE2 2.77Å; H167-E170 IonicContact CG-OE2 2.73Å; H167-E170 IonicContact ND1-OE2 3.71Å; H167-E170 PolarHBondContact ND1-OE2 3.23Å
168L84.5Confident71Confident2 Ų269.5 Ų69.51%0.0134%0.336CS..Hα-helixtrans-73.7-44.5169.2-73.2168.4000111.3A124 V132 L136 Q142 P152 L153 A156 V164 V165 A166 R171 D172A124-L168 HydrophobicContact CB-CD1 4.47Å; V132-L168 HydrophobicContact CG1-CD2 4.49Å; L136-L168 HydrophobicContact CD1-CD2 3.97Å; L136-L168 HydrophobicContact CD2-CD2 4.26Å; Q142-L168 HydrophobicContact CB-CD2 4.27Å; P152-L168 HydrophobicContact CB-CD1 4.24Å; P152-L168 HydrophobicContact CB-CD2 4.41Å; L153-L168 HydrophobicContact CB-CD1 4.34Å; L153-L168 HydrophobicContact CD1-CB 4.2Å; A156-L168 HydrophobicContact CB-CD1 4.24Å; V164-L168 HydrophobicContact CG1-CD1 3.74Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.22Å; V165-L168 PolarHBondContact O-N 3.49Å; A166-L168 VanDerWaalsContact C-N 3.29Å; A166-L168 PolarHBondContact O-N 3.1Å; L168-R171 CarbonylContact O-C 3.59Å; L168-R171 PolarHBondContact O-N 3.05Å; L168-D172 PolarHBondContact O-N 3.35Å
169L76.3Confident69.9Low36 Ų3671.4 Ų71.419%0.18835%0.347CS..Hα-helixtrans-67.3-33.8176.7-71.2169.7000113L153 V165 A166 R171 L196 L197L153-L169 HydrophobicContact CD1-CD1 4.47Å; L153-L169 HydrophobicContact CD1-CD2 4.17Å; L153-L169 HydrophobicContact CD1-CG 3.94Å; L153-L169 HydrophobicContact CD2-CD2 3.7Å; L153-L169 HydrophobicContact CD2-CG 4.37Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.37Å; V165-L169 PolarHBondContact O-N 3.46Å; A166-L169 PolarHBondContact O-N 3.46Å; L169-R171 PolarHBondContact O-N 3.09Å; L169-L196 HydrophobicContact CD1-CB 3.88Å; L169-L196 HydrophobicContact CD1-CD1 3.96Å; L169-L197 HydrophobicContact CD2-CD2 3.85Å; L169-L197 HydrophobicContact CD2-CG 4.47Å
170E74Confident69Low139 Ų13969.7 Ų69.765%0.6534%0.344SS*.THydrogen-bonded Turntrans-65.5-18.5173.7-75.4170.9166.200113.2A166 H167A166-E170 WeakPolarHBondContact O-CB 3.35Å; A166-E170 VanDerWaalsContact O-CG 3.29Å; A166-E170 WeakPolarHBondContact O-CG 3.02Å; A166-E170 PolarHBondContact O-N 3.04Å; H167-E170 IonicContact CE1-OE2 2.77Å; H167-E170 IonicContact CG-OE2 2.73Å; H167-E170 IonicContact ND1-OE2 3.71Å; H167-E170 PolarHBondContact ND1-OE2 3.23Å
171R68.1Low68.8Low102 Ų10267.6 Ų67.639%0.38532%0.322SS..THydrogen-bonded Turntrans-118.1-10.7-177.7-64.5-173.6-174.115012.8114.6D133 Q142 L168 L169D133-R171 IonicContact OD1-CZ 2.75Å; D133-R171 IonicContact OD1-NH1 3.59Å; D133-R171 PolarHBondContact OD1-NH1 3.5Å; D133-R171 IonicContact OD1-NH2 3.62Å; D133-R171 PolarHBondContact OD1-NH2 3.24Å; Q142-R171 PolarHBondContact NE2-O 3.42Å; L168-R171 CarbonylContact O-C 3.59Å; L168-R171 PolarHBondContact O-N 3.05Å; L169-R171 PolarHBondContact O-N 3.09Å
172D58.4Low68.7Low33 Ų3366.3 Ų66.318%0.17632%0.316CS..  trans-108.4119.7170-156.3-9.9000112.6Q142 L168 R174 S175Q142-D172 HydrophobicContact CG-CB 4.13Å; Q142-D172 VanDerWaalsContact NE2-CA 3.34Å; Q142-D172 VanDerWaalsContact NE2-CB 3.25Å; L168-D172 PolarHBondContact O-N 3.35Å; D172-R174 PolarHBondContact OD1-N 2.83Å; D172-S175 PolarHBondContact OD1-N 2.85Å; D172-S175 WeakPolarHBondContact OD2-CB 3.43Å; D172-S175 PolarHBondContact OD2-OG 3.24Å
173S51.8Low69Low72 Ų7262.1 Ų62.150%0.50329%0.293SS..SBendtrans-126.67.2174.243.90000112.3
174R53.9Low69Low214 Ų21454 Ų5481%0.80826%0.263SS*.SBendtrans-145.5-9-165-62.6-168.5-178.592.45.2116.7D172D172-R174 PolarHBondContact OD1-N 2.83Å
175S48.7Very low69Low34 Ų3454.1 Ų54.124%0.23826%0.263CS..  trans-75.9140.5178.679.80000112.7D172 G177D172-S175 PolarHBondContact OD1-N 2.85Å; D172-S175 WeakPolarHBondContact OD2-CB 3.43Å; D172-S175 PolarHBondContact OD2-OG 3.24Å; S175-G177 PolarHBondContact O-N 3.38Å; S175-G177 PolarHBondContact OG-N 3.42Å
176R48.7Very low69.3Low233 Ų23353.8 Ų53.888%0.87926%0.262SS*.THydrogen-bonded Turntrans-68.12.5169.1-64178.8178.5169.4-1.8112.8
177G44.8Very low69.8Low15 Ų1555.5 Ų55.516%0.15526%0.261CS..THydrogen-bonded Turntrans-86.62.5-174.600000115.5S175 L179 P180S175-G177 PolarHBondContact O-N 3.38Å; S175-G177 PolarHBondContact OG-N 3.42Å; G177-L179 PolarHBondContact O-N 3.36Å; G177-P180 WeakPolarHBondContact O-CD 3.45Å
178G50.7Low69.9Low15 Ų1557.2 Ų57.216%0.15527%0.268CS..Hα-helixtrans-70.3-6.2174.700000114.9A181 L182G178-A181 WeakPolarHBondContact O-CB 3.29Å; G178-A181 PolarHBondContact O-N 2.91Å; G178-L182 PolarHBondContact O-N 2.85Å
179L60.5Low70.2Confident71 Ų7159.3 Ų59.337%0.37228%0.279SS..Hα-helixtrans-74.7-40.9-169.2-62.2179.1000114.6G177 H183 H207G177-L179 PolarHBondContact O-N 3.36Å; L179-H183 PolarHBondContact O-ND1 2.93Å; L179-H183 VanDerWaalsContact O-ND1 3.15Å; L179-H207 HydrophobicContact CD2-CB 4.45Å
180P66.6Low70.6Confident50 Ų5059.4 Ų59.433%0.32528%0.28SS..Hα-helixtrans-70.7-34.6166.7-17.332.5000112G177 L182 H183 I184G177-P180 WeakPolarHBondContact O-CD 3.45Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.34Å; P180-H183 PolarHBondContact O-N 3.22Å; P180-H183 VanDerWaalsContact O-N 3.1Å; P180-I184 HydrophobicContact CB-CD1 4.23Å; P180-I184 VanDerWaalsContact O-CG1 3.3Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 2.69Å
181A75.9Confident71.2Confident0 Ų053.9 Ų53.90%026%0.258CS..Hα-helixtrans-56.6-44-174.400000112.7L153 L157 G178 H183 I184 A185 L197L153-A181 HydrophobicContact CD2-CB 4.35Å; L153-A181 HydrophobicContact CG-CB 4.44Å; L157-A181 HydrophobicContact CD1-CB 3.5Å; L157-A181 VanDerWaalsContact CD1-CB 3.5Å; G178-A181 WeakPolarHBondContact O-CB 3.29Å; G178-A181 PolarHBondContact O-N 2.91Å; A181-H183 PolarHBondContact O-N 2.98Å; A181-I184 PolarHBondContact O-N 3.05Å; A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 2.9Å; A181-L197 HydrophobicContact CB-CD1 4.06Å; A181-L197 HydrophobicContact CB-CD2 4.03Å
182L84.9Confident72Confident3 Ų355 Ų552%0.01627%0.272CS..Hα-helixtrans-65.9-35.7178.7-171.364.3000112.9G178 P180 A186 V194 L197 L198 V203 P215G178-L182 PolarHBondContact O-N 2.85Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.34Å; L182-A186 VanDerWaalsContact O-CB 3.3Å; L182-A186 WeakPolarHBondContact O-CB 3.3Å; L182-A186 PolarHBondContact O-N 2.85Å; L182-V194 HydrophobicContact CD1-CB 4.45Å; L182-V194 HydrophobicContact CD1-CG1 4.15Å; L182-V194 HydrophobicContact CD1-CG2 4.18Å; L182-L197 HydrophobicContact CB-CD1 4.31Å; L182-L197 HydrophobicContact CD1-CB 4.26Å; L182-L197 HydrophobicContact CD1-CD1 4.23Å; L182-L198 HydrophobicContact CD1-CD1 4.26Å; L182-L198 HydrophobicContact CD1-CD2 4.17Å; L182-L198 HydrophobicContact CD1-CG 4Å; L182-L198 HydrophobicContact CD2-CD2 3.92Å; L182-V203 HydrophobicContact CD2-CG1 4.07Å; L182-P215 HydrophobicContact CB-CG 4.44Å; L182-P215 HydrophobicContact CD2-CB 4.48Å; L182-P215 HydrophobicContact CD2-CG 3.68Å; L182-P215 HydrophobicContact CG-CB 4.18Å; L182-P215 HydrophobicContact CG-CG 3.7Å
183H85.4Confident73Confident21 Ų2153.5 Ų53.510%0.09726%0.264CS..Hα-helixtrans-70.4-38.6173.7-73.393.4000112.2L179 P180 A181 A186 R187 H207 S209 F213L179-H183 PolarHBondContact O-ND1 2.93Å; L179-H183 VanDerWaalsContact O-ND1 3.15Å; P180-H183 PolarHBondContact O-N 3.22Å; P180-H183 VanDerWaalsContact O-N 3.1Å; A181-H183 PolarHBondContact O-N 2.98Å; H183-A186 PolarHBondContact O-N 2.75Å; H183-R187 PolarHBondContact O-N 3.28Å; H183-H207 AromaticContact CE1-CD2 3.57Å; H183-H207 PolarHBondContact CE1-O 3.12Å; H183-H207 AromaticContact ND1-CD2 3.96Å; H183-S209 PolarHBondContact NE2-N 3.48Å; H183-F213 PolarHBondContact NE2-O 3.39Å; H183-F213 VanDerWaalsContact NE2-O 3.15Å
184I84.3Confident74.6Confident8 Ų850.1 Ų50.14%0.04124%0.24CC..Hα-helixtrans-66.2-46.1177.7-66.1165.1000110.4F150 A154 L157 Q158 P180 A181 A186 R187 K188F150-I184 HydrophobicContact CD1-CD1 4.31Å; F150-I184 HydrophobicContact CE1-CD1 3.89Å; A154-I184 HydrophobicContact CB-CD1 3.8Å; L157-I184 HydrophobicContact CB-CB 4.5Å; L157-I184 HydrophobicContact CB-CG2 3.78Å; Q158-I184 HydrophobicContact CB-CG2 3.89Å; P180-I184 HydrophobicContact CB-CD1 4.23Å; P180-I184 VanDerWaalsContact O-CG1 3.3Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 2.69Å; A181-I184 PolarHBondContact O-N 3.05Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 3.44Å; I184-R187 WeakPolarHBondContact O-CB 3.21Å; I184-R187 PolarHBondContact O-N 3.38Å; I184-R187 VanDerWaalsContact O-N 3.15Å; I184-K188 PolarHBondContact O-N 3.26Å
185A86.1Confident76Confident1 Ų141.3 Ų41.31%0.00821%0.212CC..Hα-helixtrans-61.8-40175.200000111.5A181 R187 K188 D189 D190 A193 V194 L197A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 2.9Å; A185-R187 VanDerWaalsContact C-N 3.32Å; A185-R187 PolarHBondContact O-N 3.36Å; A185-K188 PolarHBondContact O-N 2.63Å; A185-D189 PolarHBondContact O-N 2.93Å; A185-D189 VanDerWaalsContact O-N 3.08Å; A185-D190 HydrophobicContact CB-CB 4.39Å; A185-D190 PolarHBondContact O-N 3.39Å; A185-D190 VanDerWaalsContact O-N 3.09Å; A185-A193 HydrophobicContact CB-CB 4.05Å; A185-V194 HydrophobicContact CB-CG2 3.65Å; A185-L197 HydrophobicContact CB-CD1 4.42Å
186A89.9Confident77.4Confident0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-69.6-21.9174.500000115.2L182 H183 I184 P215 N224 V227 L231L182-A186 VanDerWaalsContact O-CB 3.3Å; L182-A186 WeakPolarHBondContact O-CB 3.3Å; L182-A186 PolarHBondContact O-N 2.85Å; H183-A186 PolarHBondContact O-N 2.75Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 3.44Å; A186-P215 HydrophobicContact CB-CB 3.97Å; A186-P215 WeakPolarHBondContact CB-O 3.5Å; A186-N224 PolarHBondContact O-ND2 3.21Å; A186-V227 HydrophobicContact CB-CG1 3.89Å; A186-L231 HydrophobicContact CB-CD1 4.36Å
187R89.3Confident78.8Confident66 Ų6633.1 Ų33.125%0.24918%0.182CC..Hα-helixtrans-78.6-32.1168.4173174.960.3169.8-2112.7H183 I184 A185 T218 F222 N224H183-R187 PolarHBondContact O-N 3.28Å; I184-R187 WeakPolarHBondContact O-CB 3.21Å; I184-R187 PolarHBondContact O-N 3.38Å; I184-R187 VanDerWaalsContact O-N 3.15Å; A185-R187 VanDerWaalsContact C-N 3.32Å; A185-R187 PolarHBondContact O-N 3.36Å; R187-T218 HydrophobicContact CB-CG2 3.85Å; R187-F222 HydrophobicContact CB-CD2 4.18Å; R187-F222 HydrophobicContact CB-CE2 4.08Å; R187-F222 HydrophobicContact CG-CD2 3.89Å; R187-F222 HydrophobicContact CG-CE1 4.36Å; R187-F222 HydrophobicContact CG-CE2 3.58Å; R187-F222 HydrophobicContact CG-CG 4.44Å; R187-F222 HydrophobicContact CG-CZ 3.85Å; R187-N224 PolarHBondContact O-ND2 2.76Å
188K85Confident80.5Confident86 Ų8633.5 Ų33.537%0.37418%0.18SC..Hα-helixtrans-92.81.7-177.8-69.8-70-166.1174.10114.8Q158 I184 A185 D190Q158-K188 WeakPolarHBondContact O-CE 3.48Å; I184-K188 PolarHBondContact O-N 3.26Å; A185-K188 PolarHBondContact O-N 2.63Å; K188-D190 PolarHBondContact O-N 3.37Å
189D90.4Very high81.9Confident46 Ų4637.8 Ų37.825%0.24620%0.2CC..THydrogen-bonded Turntrans55.228.6-171.9-151.637.8000114.7A185 A191 N224 T226 V227A185-D189 PolarHBondContact O-N 2.93Å; A185-D189 VanDerWaalsContact O-N 3.08Å; D189-A191 PolarHBondContact O-N 2.86Å; D189-N224 HydrophobicContact CB-CB 3.91Å; D189-N224 PolarHBondContact N-ND2 3.32Å; D189-N224 VanDerWaalsContact OD1-CB 3.28Å; D189-N224 WeakPolarHBondContact OD1-CB 3.19Å; D189-T226 PolarHBondContact OD1-N 2.87Å; D189-T226 PolarHBondContact OD1-OG1 2.81Å; D189-T226 VanDerWaalsContact OD1-OG1 3.05Å; D189-T226 WeakPolarHBondContact OD2-CB 3.38Å; D189-T226 WeakPolarHBondContact OD2-CG2 3.26Å; D189-T226 PolarHBondContact OD2-OG1 2.96Å; D189-V227 WeakPolarHBondContact OD1-CB 3.27Å; D189-V227 WeakPolarHBondContact OD1-CG2 3.16Å; D189-V227 PolarHBondContact OD1-N 2.71Å
190D86.1Confident82.2Confident38 Ų3837.2 Ų37.220%0.20320%0.197CC..  trans-79.685177.6-174.6-4.6000111.8A185 K188 N192 A193 V194 V227A185-D190 HydrophobicContact CB-CB 4.39Å; A185-D190 PolarHBondContact O-N 3.39Å; A185-D190 VanDerWaalsContact O-N 3.09Å; K188-D190 PolarHBondContact O-N 3.37Å; D190-N192 PolarHBondContact O-N 2.72Å; D190-N192 WeakPolarHBondContact OD1-CA 3.26Å; D190-N192 WeakPolarHBondContact OD1-CB 3.32Å; D190-N192 PolarHBondContact OD1-N 3.4Å; D190-A193 HydrophobicContact CB-CB 4.19Å; D190-A193 VanDerWaalsContact CG-CB 3.45Å; D190-A193 PolarHBondContact O-N 2.88Å; D190-A193 PolarHBondContact OD1-N 2.96Å; D190-A193 WeakPolarHBondContact OD2-CB 3.44Å; D190-V194 WeakPolarHBondContact O-CB 3.28Å; D190-V194 VanDerWaalsContact O-CG2 3.29Å; D190-V194 WeakPolarHBondContact O-CG2 3.33Å; D190-V194 PolarHBondContact O-N 2.81Å; D190-V227 VanDerWaalsContact C-CG2 3.5Å
191A86.3Confident82.2Confident24 Ų2440 Ų4020%0.19823%0.225CC..Hα-helixtrans-60.4-22.7174.700000113.8D189 S195 V227 V230D189-A191 PolarHBondContact O-N 2.86Å; A191-S195 WeakPolarHBondContact O-CB 3.37Å; A191-S195 PolarHBondContact O-N 3.47Å; A191-S195 PolarHBondContact O-OG 2.86Å; A191-V227 HydrophobicContact CB-CG2 4.26Å; A191-V230 HydrophobicContact CB-CG2 4.16Å
192N83.9Confident81.8Confident125 Ų12547.9 Ų47.967%0.66826%0.261SS*.Hα-helixtrans-79.8-49.6178.3-68.7-47.2000110.9D190 V194 S195 L196D190-N192 PolarHBondContact O-N 2.72Å; D190-N192 WeakPolarHBondContact OD1-CA 3.26Å; D190-N192 WeakPolarHBondContact OD1-CB 3.32Å; D190-N192 PolarHBondContact OD1-N 3.4Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 2.86Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; N192-S195 VanDerWaalsContact O-N 3.15Å; N192-L196 WeakPolarHBondContact O-CG 3.44Å; N192-L196 PolarHBondContact O-N 3.39Å
193A80.2Confident81.2Confident2 Ų249.4 Ų49.42%0.01727%0.271CS..Hα-helixtrans-62.4-40.6173.500000112L157 V165 A185 D190 S195 L196 L197L157-A193 HydrophobicContact CD2-CB 3.48Å; L157-A193 VanDerWaalsContact CD2-CB 3.48Å; V165-A193 HydrophobicContact CG1-CB 4.46Å; A185-A193 HydrophobicContact CB-CB 4.05Å; D190-A193 HydrophobicContact CB-CB 4.19Å; D190-A193 VanDerWaalsContact CG-CB 3.45Å; D190-A193 PolarHBondContact O-N 2.88Å; D190-A193 PolarHBondContact OD1-N 2.96Å; D190-A193 WeakPolarHBondContact OD2-CB 3.44Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.87Å; A193-L196 PolarHBondContact O-N 3.14Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 WeakPolarHBondContact O-CD1 3.46Å; A193-L197 WeakPolarHBondContact O-CG 3.43Å; A193-L197 PolarHBondContact O-N 2.99Å
194V84.4Confident81Confident0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-58.3-45.1172.2170.60000110.7L182 A185 D190 N192 L196 L198 V227 V230 L231L182-V194 HydrophobicContact CD1-CB 4.45Å; L182-V194 HydrophobicContact CD1-CG1 4.15Å; L182-V194 HydrophobicContact CD1-CG2 4.18Å; A185-V194 HydrophobicContact CB-CG2 3.65Å; D190-V194 WeakPolarHBondContact O-CB 3.28Å; D190-V194 VanDerWaalsContact O-CG2 3.29Å; D190-V194 WeakPolarHBondContact O-CG2 3.33Å; D190-V194 PolarHBondContact O-N 2.81Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 2.86Å; V194-L196 PolarHBondContact O-N 2.87Å; V194-L198 HydrophobicContact CG1-CD1 3.69Å; V194-L198 HydrophobicContact CG1-CG 4.43Å; V194-L198 VanDerWaalsContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CB 3.18Å; V194-L198 VanDerWaalsContact O-CG 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.01Å; V194-L198 PolarHBondContact O-N 2.88Å; V194-V227 HydrophobicContact CG1-CG1 4.39Å; V194-V227 HydrophobicContact CG2-CG1 3.78Å; V194-V227 HydrophobicContact CG2-CG2 3.93Å; V194-V230 HydrophobicContact CG1-CG1 3.91Å; V194-L231 HydrophobicContact CG1-CD2 3.9Å; V194-L231 HydrophobicContact CG1-CG 4.32Å
195S84.2Confident81.1Confident29 Ų2953.1 Ų53.120%0.20329%0.292CS..Hα-helixtrans-62.5-39.2176.9-70.60000113.1A191 N192 A193 N199 R234A191-S195 WeakPolarHBondContact O-CB 3.37Å; A191-S195 PolarHBondContact O-N 3.47Å; A191-S195 PolarHBondContact O-OG 2.86Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; N192-S195 VanDerWaalsContact O-N 3.15Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.87Å; S195-N199 PolarHBondContact O-N 2.85Å; S195-N199 PolarHBondContact O-ND2 3.41Å; S195-N199 PolarHBondContact O-OD1 3.26Å; S195-R234 PolarHBondContact O-NH1 3.44Å; S195-R234 PolarHBondContact O-NH2 3.45Å; S195-R234 PolarHBondContact OG-NH2 2.88Å
196L77.7Confident81.2Confident86 Ų8654.4 Ų54.445%0.4530%0.299SS..Hα-helixtrans-72.7-44.6178.7-69.9170.2000112.2L169 N192 A193 V194 L198 N199L169-L196 HydrophobicContact CD1-CB 3.88Å; L169-L196 HydrophobicContact CD1-CD1 3.96Å; N192-L196 WeakPolarHBondContact O-CG 3.44Å; N192-L196 PolarHBondContact O-N 3.39Å; A193-L196 PolarHBondContact O-N 3.14Å; V194-L196 PolarHBondContact O-N 2.87Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 2.86Å; L196-N199 WeakPolarHBondContact O-CB 3.48Å; L196-N199 PolarHBondContact O-N 3.11Å; L196-N199 VanDerWaalsContact O-N 3.15Å
197L78.7Confident80.9Confident10 Ų1056.8 Ų56.85%0.05231%0.31CS..Hα-helixtrans-59.2-44.2175.6-72.4165.2000110.9L153 L157 L169 A181 L182 A185 A193 N199 N200 V203L153-L197 HydrophobicContact CD2-CD2 4.35Å; L157-L197 HydrophobicContact CD1-CD1 4.48Å; L169-L197 HydrophobicContact CD2-CD2 3.85Å; L169-L197 HydrophobicContact CD2-CG 4.47Å; A181-L197 HydrophobicContact CB-CD1 4.06Å; A181-L197 HydrophobicContact CB-CD2 4.03Å; L182-L197 HydrophobicContact CB-CD1 4.31Å; L182-L197 HydrophobicContact CD1-CB 4.26Å; L182-L197 HydrophobicContact CD1-CD1 4.23Å; A185-L197 HydrophobicContact CB-CD1 4.42Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 WeakPolarHBondContact O-CD1 3.46Å; A193-L197 WeakPolarHBondContact O-CG 3.43Å; A193-L197 PolarHBondContact O-N 2.99Å; L197-N199 PolarHBondContact O-N 2.82Å; L197-N200 PolarHBondContact O-N 2.78Å; L197-V203 WeakPolarHBondContact O-CG2 3.29Å
198L80.8Confident80.6Confident22 Ų2258.1 Ų58.112%0.11532%0.319CS..THydrogen-bonded Turntrans-82.310.2178.4-61.9175.9000114.2L182 V194 L196 V203 V205 L231 R234L182-L198 HydrophobicContact CD1-CD1 4.26Å; L182-L198 HydrophobicContact CD1-CD2 4.17Å; L182-L198 HydrophobicContact CD1-CG 4Å; L182-L198 HydrophobicContact CD2-CD2 3.92Å; V194-L198 HydrophobicContact CG1-CD1 3.69Å; V194-L198 HydrophobicContact CG1-CG 4.43Å; V194-L198 VanDerWaalsContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CB 3.18Å; V194-L198 VanDerWaalsContact O-CG 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.01Å; V194-L198 PolarHBondContact O-N 2.88Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 2.86Å; L198-V203 HydrophobicContact CD2-CB 4.4Å; L198-V203 HydrophobicContact CD2-CG1 3.89Å; L198-V205 HydrophobicContact CD1-CB 4.5Å; L198-V205 HydrophobicContact CD1-CG2 3.86Å; L198-V205 HydrophobicContact CD2-CB 3.97Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; L198-L231 HydrophobicContact CD1-CD2 4.04Å; L198-R234 VanDerWaalsContact C-NH1 3.31Å; L198-R234 HydrophobicContact CB-CG 4.45Å; L198-R234 HydrophobicContact CD1-CB 3.83Å; L198-R234 HydrophobicContact CD1-CG 3.92Å; L198-R234 PolarHBondContact O-NH1 3.36Å
199N78.4Confident80.4Confident106 Ų10655.7 Ų55.757%0.56731%0.313SS*.THydrogen-bonded Turntrans-84.8-16.2166.1-71.2-18.1000112.2S195 L196 L197 R234S195-N199 PolarHBondContact O-N 2.85Å; S195-N199 PolarHBondContact O-ND2 3.41Å; S195-N199 PolarHBondContact O-OD1 3.26Å; L196-N199 WeakPolarHBondContact O-CB 3.48Å; L196-N199 PolarHBondContact O-N 3.11Å; L196-N199 VanDerWaalsContact O-N 3.15Å; L197-N199 PolarHBondContact O-N 2.82Å; N199-R234 PolarHBondContact OD1-NH1 3.08Å
200N68.4Low79.2Confident59 Ų5961.8 Ų61.832%0.31634%0.34SS..SBendtrans-86.8118.5168.8-176.2-2.5000109.7L197 E202 V203L197-N200 PolarHBondContact O-N 2.78Å; N200-E202 PolarHBondContact O-N 3Å; N200-E202 VanDerWaalsContact O-N 3.09Å; N200-E202 PolarHBondContact OD1-N 3.37Å; N200-E202 VanDerWaalsContact OD1-N 3.15Å; N200-V203 HydrophobicContact CB-CG2 4.11Å; N200-V203 PolarHBondContact O-N 2.94Å
201A66.7Low78.6Confident109 Ų10962.9 Ų62.990%0.90135%0.349SS*.THydrogen-bonded Turntrans-63.7-13-177.700000114.6V203A201-V203 VanDerWaalsContact C-N 3.34Å
202E67.4Low78.4Confident164 Ų16461.8 Ų61.877%0.76634%0.34SS*.THydrogen-bonded Turntrans-79.9-12.2174.4-61.8-175.9173.400113.5N200 N204N200-E202 PolarHBondContact O-N 3Å; N200-E202 VanDerWaalsContact O-N 3.09Å; N200-E202 PolarHBondContact OD1-N 3.37Å; N200-E202 VanDerWaalsContact OD1-N 3.15Å; E202-N204 PolarHBondContact O-N 3.47Å
203V71.9Confident78.7Confident35 Ų3558.4 Ų58.421%0.21232%0.32CS..SBendtrans-86.9108.7-175.9-178.50000111.2L182 L197 L198 N200 A201 V205L182-V203 HydrophobicContact CD2-CG1 4.07Å; L197-V203 WeakPolarHBondContact O-CG2 3.29Å; L198-V203 HydrophobicContact CD2-CB 4.4Å; L198-V203 HydrophobicContact CD2-CG1 3.89Å; N200-V203 HydrophobicContact CB-CG2 4.11Å; N200-V203 PolarHBondContact O-N 2.94Å; A201-V203 VanDerWaalsContact C-N 3.34Å; V203-V205 PolarHBondContact O-N 3.46Å
204N80.3Confident79.2Confident92 Ų9258.3 Ų58.349%0.49232%0.319SS..  trans-69.1110.7175.1-179.85.1000111.5E202 N206 H207E202-N204 PolarHBondContact O-N 3.47Å; N204-N206 PolarHBondContact O-N 3.13Å; N204-N206 WeakPolarHBondContact OD1-CA 3.49Å; N204-N206 PolarHBondContact OD1-N 3.4Å; N204-H207 HydrophobicContact CB-CB 4.34Å; N204-H207 VanDerWaalsContact O-CB 3.24Å; N204-H207 WeakPolarHBondContact O-CB 3.3Å; N204-H207 PolarHBondContact O-N 2.93Å
205V87.5Confident79.6Confident15 Ų1558.3 Ų58.39%0.09132%0.319CS..THydrogen-bonded Turntrans-59-26.7175.7690000113.6L198 V203 L231 R234 A236L198-V205 HydrophobicContact CD1-CB 4.5Å; L198-V205 HydrophobicContact CD1-CG2 3.86Å; L198-V205 HydrophobicContact CD2-CB 3.97Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; V203-V205 PolarHBondContact O-N 3.46Å; V205-L231 HydrophobicContact CG2-CD2 3.77Å; V205-R234 HydrophobicContact CG2-CB 4.43Å; V205-A236 HydrophobicContact CG2-CB 3.99Å
206N88.6Confident80.1Confident28 Ų2856.9 Ų56.915%0.1531%0.309CS..THydrogen-bonded Turntrans-101.125.5175.8-63.4-57.9000112.5N204 T214 G235 A236 D237 F240N204-N206 PolarHBondContact O-N 3.13Å; N204-N206 WeakPolarHBondContact OD1-CA 3.49Å; N204-N206 PolarHBondContact OD1-N 3.4Å; N206-T214 HydrophobicContact CB-CG2 4.41Å; N206-G235 PolarHBondContact ND2-O 3.42Å; N206-G235 VanDerWaalsContact ND2-O 3.16Å; N206-A236 WeakPolarHBondContact OD1-CA 3.26Å; N206-D237 PolarHBondContact OD1-N 2.71Å; N206-F240 HydrophobicContact CB-CD2 4.4Å; N206-F240 HydrophobicContact CB-CE2 4.4Å
207H82.6Confident80.9Confident50 Ų5052.8 Ų52.823%0.23129%0.288CS..PPolyproline II helixtrans-58141.6172.8175.556.6000111.1L179 H183 N204 T214 P215L179-H207 HydrophobicContact CD2-CB 4.45Å; H183-H207 AromaticContact CE1-CD2 3.57Å; H183-H207 PolarHBondContact CE1-O 3.12Å; H183-H207 AromaticContact ND1-CD2 3.96Å; N204-H207 HydrophobicContact CB-CB 4.34Å; N204-H207 VanDerWaalsContact O-CB 3.24Å; N204-H207 WeakPolarHBondContact O-CB 3.3Å; N204-H207 PolarHBondContact O-N 2.93Å; H207-T214 WeakPolarHBondContact O-CA 2.88Å; H207-P215 VanDerWaalsContact O-CD 3.23Å; H207-P215 WeakPolarHBondContact O-CD 3.36Å
208Q84.3Confident81.6Confident94 Ų9453.3 Ų53.344%0.43929%0.291SS..PPolyproline II helixtrans-103.2131-177.1-6617913.800112.3T214 F240Q208-T214 HydrophobicContact CG-CG2 4.39Å; Q208-F240 HydrophobicContact CG-CE1 4.29Å
209S79.2Confident82.3Confident36 Ų3652.2 Ų52.225%0.25229%0.286SS..PPolyproline II helixtrans-69.8170159.760.80000112.1H183 P211 G212 F213H183-S209 PolarHBondContact NE2-N 3.48Å; S209-P211 VanDerWaalsContact C-CD 3.49Å; S209-G212 WeakPolarHBondContact O-CA 3.47Å; S209-G212 PolarHBondContact O-N 3.2Å; S209-F213 PolarHBondContact N-O 2.93Å; S209-F213 PolarHBondContact OG-O 3.14Å
210Q66.8Low83.1Confident173 Ų17347.2 Ų47.281%0.80826%0.259SS*.THydrogen-bonded Turntrans-49.1-39.2-178.7-67.2-68.52.100116.6G212 K243Q210-G212 PolarHBondContact O-N 3.37Å; Q210-K243 PolarHBondContact O-NZ 2.88Å
211P73Confident84.3Confident61 Ų6146.7 Ų46.740%0.39625%0.254SS..THydrogen-bonded Turntrans-75.6-0.6173.229.6-36.5000114.7S209 F213 K243S209-P211 VanDerWaalsContact C-CD 3.49Å; P211-F213 HydrophobicContact CG-CB 4.28Å; P211-F213 HydrophobicContact CG-CD2 4.16Å; P211-F213 HydrophobicContact CG-CG 4.15Å; P211-K243 WeakPolarHBondContact O-CB 3.35Å; P211-K243 WeakPolarHBondContact O-CD 3.25Å; P211-K243 WeakPolarHBondContact O-CG 3.36Å
212G81.6Confident85.5Confident2 Ų244.4 Ų44.42%0.02122%0.224CC..SBendtrans87.20.8-173.600000114.3S209 Q210 A242S209-G212 WeakPolarHBondContact O-CA 3.47Å; S209-G212 PolarHBondContact O-N 3.2Å; Q210-G212 PolarHBondContact O-N 3.37Å; G212-A242 WeakPolarHBondContact O-CB 3.1Å
213F89.2Confident86.7Confident53 Ų5337.6 Ų37.623%0.23220%0.198CC..  trans-70.6135.3176.6-72.3-6.1000110.8H183 S209 P211 H217 A242 I246 V251H183-F213 PolarHBondContact NE2-O 3.39Å; H183-F213 VanDerWaalsContact NE2-O 3.15Å; S209-F213 PolarHBondContact N-O 2.93Å; S209-F213 PolarHBondContact OG-O 3.14Å; P211-F213 HydrophobicContact CG-CB 4.28Å; P211-F213 HydrophobicContact CG-CD2 4.16Å; P211-F213 HydrophobicContact CG-CG 4.15Å; F213-H217 HydrophobicContact CB-CB 3.68Å; F213-H217 HydrophobicContact CD1-CB 4.13Å; F213-H217 AromaticContact CD1-CD2 3.73Å; F213-H217 HydrophobicContact CD2-CB 4.46Å; F213-H217 HydrophobicContact CG-CB 3.85Å; F213-A242 HydrophobicContact CD1-CB 3.64Å; F213-A242 HydrophobicContact CE1-CB 4.09Å; F213-I246 HydrophobicContact CE1-CG2 4.24Å; F213-V251 HydrophobicContact CE1-CG2 4.48Å; F213-V251 HydrophobicContact CZ-CG2 4.37Å
214T91.9Very high87.8Confident0 Ų037.1 Ų37.10%019%0.194CC..  trans-88.9169.4171.862.50000111.6N206 H207 Q208 L216 H217 T218 F240N206-T214 HydrophobicContact CB-CG2 4.41Å; H207-T214 WeakPolarHBondContact O-CA 2.88Å; Q208-T214 HydrophobicContact CG-CG2 4.39Å; T214-L216 PolarHBondContact O-N 3.16Å; T214-L216 VanDerWaalsContact O-N 3.12Å; T214-H217 PolarHBondContact N-ND1 3.49Å; T214-H217 WeakPolarHBondContact O-CA 3.35Å; T214-H217 WeakPolarHBondContact O-CB 3.14Å; T214-H217 PolarHBondContact O-N 3.01Å; T214-H217 PolarHBondContact OG1-N 2.97Å; T214-H217 PolarHBondContact OG1-ND1 3.32Å; T214-T218 PolarHBondContact O-N 2.86Å; T214-T218 PolarHBondContact O-OG1 3.15Å; T214-F240 HydrophobicContact CG2-CD1 3.68Å; T214-F240 HydrophobicContact CG2-CE1 4.05Å; T214-F240 HydrophobicContact CG2-CG 3.97Å
215P91.5Very high88.4Confident0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-51.5-33.5169.9-29.735.4000113.5L182 A186 H207 T218 A219 L231L182-P215 HydrophobicContact CB-CG 4.44Å; L182-P215 HydrophobicContact CD2-CB 4.48Å; L182-P215 HydrophobicContact CD2-CG 3.68Å; L182-P215 HydrophobicContact CG-CB 4.18Å; L182-P215 HydrophobicContact CG-CG 3.7Å; A186-P215 HydrophobicContact CB-CB 3.97Å; A186-P215 WeakPolarHBondContact CB-O 3.5Å; H207-P215 VanDerWaalsContact O-CD 3.23Å; H207-P215 WeakPolarHBondContact O-CD 3.36Å; P215-T218 WeakPolarHBondContact O-CB 3.29Å; P215-T218 PolarHBondContact O-N 2.96Å; P215-A219 WeakPolarHBondContact O-CB 3.3Å; P215-A219 PolarHBondContact O-N 3.16Å; P215-L231 HydrophobicContact CB-CD1 3.77Å; P215-L231 HydrophobicContact CB-CD2 3.93Å
216L95.6Very high88.7Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-72.6-34.1176.4-173.260.5000112.6T214 T218 A220 A228 L231 I232 A236 V238 P248 L264T214-L216 PolarHBondContact O-N 3.16Å; T214-L216 VanDerWaalsContact O-N 3.12Å; L216-T218 VanDerWaalsContact C-N 3.34Å; L216-A220 WeakPolarHBondContact O-CB 3.26Å; L216-A220 PolarHBondContact O-N 3.17Å; L216-A228 HydrophobicContact CD1-CB 3.71Å; L216-L231 HydrophobicContact CB-CD1 4.28Å; L216-L231 HydrophobicContact CD1-CD1 4.46Å; L216-I232 HydrophobicContact CD1-CD1 4.23Å; L216-I232 HydrophobicContact CD1-CG1 4.18Å; L216-I232 HydrophobicContact CD2-CD1 4.4Å; L216-I232 HydrophobicContact CD2-CG1 4Å; L216-A236 HydrophobicContact CB-CB 4.23Å; L216-A236 HydrophobicContact CD2-CB 4Å; L216-V238 HydrophobicContact CD2-CG2 4.45Å; L216-P248 HydrophobicContact CD2-CG 4.22Å; L216-P248 HydrophobicContact CG-CB 4.23Å; L216-P248 HydrophobicContact CG-CG 4.11Å; L216-L264 HydrophobicContact CD1-CD2 4.34Å; L216-L264 HydrophobicContact CD2-CD2 4.24Å; L216-L264 HydrophobicContact CG-CD2 4.41Å
217H95.1Very high89Confident0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-64-40.4168.2-74.482000111.4F213 T214 A220 H221 F240 I246F213-H217 HydrophobicContact CB-CB 3.68Å; F213-H217 HydrophobicContact CD1-CB 4.13Å; F213-H217 AromaticContact CD1-CD2 3.73Å; F213-H217 HydrophobicContact CD2-CB 4.46Å; F213-H217 HydrophobicContact CG-CB 3.85Å; T214-H217 PolarHBondContact N-ND1 3.49Å; T214-H217 WeakPolarHBondContact O-CA 3.35Å; T214-H217 WeakPolarHBondContact O-CB 3.14Å; T214-H217 PolarHBondContact O-N 3.01Å; T214-H217 PolarHBondContact OG1-N 2.97Å; T214-H217 PolarHBondContact OG1-ND1 3.32Å; H217-A220 PolarHBondContact O-N 3.3Å; H217-H221 PolarHBondContact O-N 3.2Å; H217-F240 PolarHBondContact CE1-O 3.21Å; H217-F240 PolarHBondContact NE2-O 2.97Å; H217-I246 PolarHBondContact NE2-O 3.35Å
218T92.6Very high89.6Confident20 Ų2033.7 Ų33.712%0.12318%0.182CC..Hα-helixtrans-64-49176.6-53.30000110.8R187 T214 P215 L216 A220 H221 F222R187-T218 HydrophobicContact CB-CG2 3.85Å; T214-T218 PolarHBondContact O-N 2.86Å; T214-T218 PolarHBondContact O-OG1 3.15Å; P215-T218 WeakPolarHBondContact O-CB 3.29Å; P215-T218 PolarHBondContact O-N 2.96Å; L216-T218 VanDerWaalsContact C-N 3.34Å; T218-A220 PolarHBondContact O-N 3.16Å; T218-H221 WeakPolarHBondContact O-CB 3.34Å; T218-H221 PolarHBondContact O-N 3.06Å; T218-H221 VanDerWaalsContact O-N 3.12Å; T218-F222 HydrophobicContact CG2-CD2 4.18Å; T218-F222 HydrophobicContact CG2-CE2 4.11Å; T218-F222 VanDerWaalsContact O-CD2 3.3Å; T218-F222 WeakPolarHBondContact O-CD2 3.34Å; T218-F222 PolarHBondContact O-N 2.88Å
219A95.1Very high90.1Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-58-40.8174.200000111.3P215 H221 F222 G223 N224 V227 A228 L231 M260P215-A219 WeakPolarHBondContact O-CB 3.3Å; P215-A219 PolarHBondContact O-N 3.16Å; A219-H221 VanDerWaalsContact C-N 3.33Å; A219-H221 PolarHBondContact O-N 3.04Å; A219-F222 PolarHBondContact O-N 3.39Å; A219-G223 WeakPolarHBondContact O-CA 3.25Å; A219-G223 PolarHBondContact O-N 2.99Å; A219-N224 HydrophobicContact CB-CB 4.08Å; A219-N224 PolarHBondContact O-N 3.42Å; A219-V227 HydrophobicContact CB-CG1 4.49Å; A219-A228 HydrophobicContact CB-CB 4.02Å; A219-L231 HydrophobicContact CB-CD1 4.35Å; A219-M260 HydrophobicContact CB-CE 4.36Å; A219-M260 VanDerWaalsContact O-CE 3.27Å; A219-M260 WeakPolarHBondContact O-CE 3.49Å
220A95.4Very high90.7Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-67.9-25.6177.600000115L216 H217 T218 P248 V251 A252 M260 L264L216-A220 WeakPolarHBondContact O-CB 3.26Å; L216-A220 PolarHBondContact O-N 3.17Å; H217-A220 PolarHBondContact O-N 3.3Å; T218-A220 PolarHBondContact O-N 3.16Å; A220-P248 HydrophobicContact CB-CB 4.01Å; A220-P248 WeakPolarHBondContact CB-O 3.25Å; A220-V251 HydrophobicContact CB-CB 4.49Å; A220-A252 HydrophobicContact CB-CB 4.28Å; A220-M260 HydrophobicContact CB-CG 3.96Å; A220-M260 HydrophobicContact CB-SD 4.17Å; A220-L264 HydrophobicContact CB-CD1 4.45Å
221H93.4Very high92Very high48 Ų4825.9 Ų25.922%0.22214%0.138CC..Hα-helixtrans-69.1-48.6173.4-175.6-89000112H217 T218 A219 V251 W255 R257H217-H221 PolarHBondContact O-N 3.2Å; T218-H221 WeakPolarHBondContact O-CB 3.34Å; T218-H221 PolarHBondContact O-N 3.06Å; T218-H221 VanDerWaalsContact O-N 3.12Å; A219-H221 VanDerWaalsContact C-N 3.33Å; A219-H221 PolarHBondContact O-N 3.04Å; H221-V251 HydrophobicContact CB-CG1 3.85Å; H221-W255 AromaticContact CD2-CD1 3.71Å; H221-W255 AromaticContact CD2-CE2 3.74Å; H221-W255 AromaticContact CD2-NE1 3.21Å; H221-W255 PolarHBondContact CD2-NE1 2.99Å; H221-W255 AromaticContact NE2-CE2 3.4Å; H221-W255 AromaticContact NE2-CZ2 3.44Å; H221-W255 WeakPolarHBondContact NE2-CZ2 3.15Å; H221-W255 AromaticContact NE2-NE1 3.4Å; H221-W255 PolarHBondContact NE2-NE1 3.32Å; H221-R257 PolarHBondContact O-NE 3.02Å; H221-R257 PolarHBondContact O-NH2 3.05Å
222F91.9Very high93.1Very high61 Ų6124.7 Ų24.727%0.26813%0.127SC..Hα-helixtrans-83.9-20.9-177.1-65.7-76.9000112.9R187 T218 A219 N224 R257R187-F222 HydrophobicContact CB-CD2 4.18Å; R187-F222 HydrophobicContact CB-CE2 4.08Å; R187-F222 HydrophobicContact CG-CD2 3.89Å; R187-F222 HydrophobicContact CG-CE1 4.36Å; R187-F222 HydrophobicContact CG-CE2 3.58Å; R187-F222 HydrophobicContact CG-CG 4.44Å; R187-F222 HydrophobicContact CG-CZ 3.85Å; T218-F222 HydrophobicContact CG2-CD2 4.18Å; T218-F222 HydrophobicContact CG2-CE2 4.11Å; T218-F222 VanDerWaalsContact O-CD2 3.3Å; T218-F222 WeakPolarHBondContact O-CD2 3.34Å; T218-F222 PolarHBondContact O-N 2.88Å; A219-F222 PolarHBondContact O-N 3.39Å; F222-N224 WeakPolarHBondContact CB-OD1 3.27Å; F222-R257 PolarHBondContact O-NE 3.02Å
223G92.9Very high93.6Very high22 Ų2231.3 Ų31.323%0.22716%0.158CC..THydrogen-bonded Turntrans91.521.3-177.400000113.4A219 V225A219-G223 WeakPolarHBondContact O-CA 3.25Å; A219-G223 PolarHBondContact O-N 2.99Å; G223-V225 VanDerWaalsContact C-N 3.35Å; G223-V225 WeakPolarHBondContact O-CG2 3.21Å; G223-V225 PolarHBondContact O-N 3.04Å
224N95.2Very high93.7Very high24 Ų2433.2 Ų33.213%0.12816%0.163CC..  trans-76.776.7-169.6-69.60.9000111.6A186 R187 D189 A219 F222 T226 A228 M260A186-N224 PolarHBondContact O-ND2 3.21Å; R187-N224 PolarHBondContact O-ND2 2.76Å; D189-N224 HydrophobicContact CB-CB 3.91Å; D189-N224 PolarHBondContact N-ND2 3.32Å; D189-N224 VanDerWaalsContact OD1-CB 3.28Å; D189-N224 WeakPolarHBondContact OD1-CB 3.19Å; A219-N224 HydrophobicContact CB-CB 4.08Å; A219-N224 PolarHBondContact O-N 3.42Å; F222-N224 WeakPolarHBondContact CB-OD1 3.27Å; N224-T226 VanDerWaalsContact C-N 3.29Å; N224-T226 PolarHBondContact O-N 3.16Å; N224-A228 VanDerWaalsContact O-CB 3.26Å; N224-A228 WeakPolarHBondContact O-CB 3.36Å; N224-A228 PolarHBondContact O-N 3.49Å; N224-M260 VanDerWaalsContact C-CE 3.43Å; N224-M260 WeakPolarHBondContact O-CE 3.35Å
225V94.1Very high93.6Very high41 Ų4135.6 Ų35.625%0.24819%0.188CC..Hα-helixtrans-64.9-29.5-172-174.20000112.3G223 R229 M260 L263G223-V225 VanDerWaalsContact C-N 3.35Å; G223-V225 WeakPolarHBondContact O-CG2 3.21Å; G223-V225 PolarHBondContact O-N 3.04Å; V225-R229 WeakPolarHBondContact O-CB 3.29Å; V225-R229 PolarHBondContact O-N 3.22Å; V225-R229 VanDerWaalsContact O-N 3.07Å; V225-M260 HydrophobicContact CG2-CE 4.37Å; V225-L263 HydrophobicContact CG1-CB 4.3Å; V225-L263 HydrophobicContact CG1-CD2 3.89Å
226T93.7Very high93.7Very high73 Ų7336 Ų3645%0.44819%0.191SC..Hα-helixtrans-74.7-47.8-175.982.50000111D189 N224 R229 V230D189-T226 PolarHBondContact OD1-N 2.87Å; D189-T226 PolarHBondContact OD1-OG1 2.81Å; D189-T226 VanDerWaalsContact OD1-OG1 3.05Å; D189-T226 WeakPolarHBondContact OD2-CB 3.38Å; D189-T226 WeakPolarHBondContact OD2-CG2 3.26Å; D189-T226 PolarHBondContact OD2-OG1 2.96Å; N224-T226 VanDerWaalsContact C-N 3.29Å; N224-T226 PolarHBondContact O-N 3.16Å; T226-R229 PolarHBondContact O-N 3.45Å; T226-V230 PolarHBondContact O-N 3.06Å
227V93.4Very high93.6Very high0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-64.3-42.8170.5165.80000111.6A186 D189 D190 A191 V194 A219 R229 V230 L231A186-V227 HydrophobicContact CB-CG1 3.89Å; D189-V227 WeakPolarHBondContact OD1-CB 3.27Å; D189-V227 WeakPolarHBondContact OD1-CG2 3.16Å; D189-V227 PolarHBondContact OD1-N 2.71Å; D190-V227 VanDerWaalsContact C-CG2 3.5Å; A191-V227 HydrophobicContact CB-CG2 4.26Å; V194-V227 HydrophobicContact CG1-CG1 4.39Å; V194-V227 HydrophobicContact CG2-CG1 3.78Å; V194-V227 HydrophobicContact CG2-CG2 3.93Å; A219-V227 HydrophobicContact CB-CG1 4.49Å; V227-R229 PolarHBondContact O-N 3.25Å; V227-V230 CarbonylContact O-C 3.52Å; V227-V230 PolarHBondContact O-N 3.39Å; V227-L231 HydrophobicContact CG1-CD1 3.57Å; V227-L231 HydrophobicContact CG1-CG 3.75Å; V227-L231 WeakPolarHBondContact O-CB 3.39Å; V227-L231 WeakPolarHBondContact O-CG 3.45Å; V227-L231 PolarHBondContact O-N 3.01Å
228A94.9Very high93.6Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-57.7-37.417900000112.2L216 A219 N224 L231 I232 M260 L263L216-A228 HydrophobicContact CD1-CB 3.71Å; A219-A228 HydrophobicContact CB-CB 4.02Å; N224-A228 VanDerWaalsContact O-CB 3.26Å; N224-A228 WeakPolarHBondContact O-CB 3.36Å; N224-A228 PolarHBondContact O-N 3.49Å; A228-L231 PolarHBondContact O-N 3.39Å; A228-I232 WeakPolarHBondContact O-CB 3.24Å; A228-I232 WeakPolarHBondContact O-CD1 3.16Å; A228-I232 WeakPolarHBondContact O-CG1 3.15Å; A228-I232 PolarHBondContact O-N 2.9Å; A228-M260 HydrophobicContact CB-CE 3.58Å; A228-M260 HydrophobicContact CB-SD 3.58Å; A228-M260 VanDerWaalsContact CB-SD 3.58Å; A228-L263 HydrophobicContact CB-CD2 3.6Å
229R95.3Very high93.7Very high117 Ų11740.6 Ų40.644%0.44222%0.215SC..Hα-helixtrans-62.2-50.8172.6-176.1-176.6-49.5-68.4-6.9111.6V225 T226 V227 L231 I232 E233 L263V225-R229 WeakPolarHBondContact O-CB 3.29Å; V225-R229 PolarHBondContact O-N 3.22Å; V225-R229 VanDerWaalsContact O-N 3.07Å; T226-R229 PolarHBondContact O-N 3.45Å; V227-R229 PolarHBondContact O-N 3.25Å; R229-L231 VanDerWaalsContact C-N 3.31Å; R229-L231 PolarHBondContact O-N 3.29Å; R229-I232 PolarHBondContact O-N 2.94Å; R229-E233 WeakPolarHBondContact CD-OE1 3.46Å; R229-E233 HydrophobicContact CG-CG 4.43Å; R229-E233 WeakPolarHBondContact CG-OE1 3.03Å; R229-E233 WeakPolarHBondContact O-CB 3.25Å; R229-E233 WeakPolarHBondContact O-CG 3.43Å; R229-E233 PolarHBondContact O-N 3Å; R229-L263 HydrophobicContact CB-CD2 4.32Å
230V93.2Very high93.7Very high22 Ų2242.8 Ų42.813%0.13323%0.225CC..Hα-helixtrans-60.8-40.3178.3176.50000111.4A191 V194 T226 V227 E233 R234A191-V230 HydrophobicContact CB-CG2 4.16Å; V194-V230 HydrophobicContact CG1-CG1 3.91Å; T226-V230 PolarHBondContact O-N 3.06Å; V227-V230 CarbonylContact O-C 3.52Å; V227-V230 PolarHBondContact O-N 3.39Å; V230-E233 PolarHBondContact O-N 3.15Å; V230-R234 HydrophobicContact CG1-CG 4.2Å; V230-R234 VanDerWaalsContact O-CB 3.31Å; V230-R234 WeakPolarHBondContact O-CB 3.34Å; V230-R234 WeakPolarHBondContact O-CG 3.47Å; V230-R234 PolarHBondContact O-N 3.13Å
231L93.9Very high93.5Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-60.7-47.5175.9-72.9174.1000111.4A186 V194 L198 V205 P215 L216 A219 V227 A228 R229 R234 G235 A236A186-L231 HydrophobicContact CB-CD1 4.36Å; V194-L231 HydrophobicContact CG1-CD2 3.9Å; V194-L231 HydrophobicContact CG1-CG 4.32Å; L198-L231 HydrophobicContact CD1-CD2 4.04Å; V205-L231 HydrophobicContact CG2-CD2 3.77Å; P215-L231 HydrophobicContact CB-CD1 3.77Å; P215-L231 HydrophobicContact CB-CD2 3.93Å; L216-L231 HydrophobicContact CB-CD1 4.28Å; L216-L231 HydrophobicContact CD1-CD1 4.46Å; A219-L231 HydrophobicContact CB-CD1 4.35Å; V227-L231 HydrophobicContact CG1-CD1 3.57Å; V227-L231 HydrophobicContact CG1-CG 3.75Å; V227-L231 WeakPolarHBondContact O-CB 3.39Å; V227-L231 WeakPolarHBondContact O-CG 3.45Å; V227-L231 PolarHBondContact O-N 3.01Å; A228-L231 PolarHBondContact O-N 3.39Å; R229-L231 VanDerWaalsContact C-N 3.31Å; R229-L231 PolarHBondContact O-N 3.29Å; L231-R234 CarbonylContact O-C 3.54Å; L231-R234 PolarHBondContact O-N 2.88Å; L231-G235 PolarHBondContact O-N 3.01Å; L231-G235 VanDerWaalsContact O-N 3.16Å; L231-A236 VanDerWaalsContact C-CB 3.46Å; L231-A236 HydrophobicContact CB-CB 3.82Å; L231-A236 WeakPolarHBondContact O-CB 3.29Å; L231-A236 PolarHBondContact O-N 3.32Å
232I94.7Very high93.3Very high36 Ų3645.5 Ų45.519%0.18524%0.239CC..Hα-helixtrans-64.6-44.6178.6-67.5166.4000110.8L216 A228 R229 R234 G235 V238 L263 L264L216-I232 HydrophobicContact CD1-CD1 4.23Å; L216-I232 HydrophobicContact CD1-CG1 4.18Å; L216-I232 HydrophobicContact CD2-CD1 4.4Å; L216-I232 HydrophobicContact CD2-CG1 4Å; A228-I232 WeakPolarHBondContact O-CB 3.24Å; A228-I232 WeakPolarHBondContact O-CD1 3.16Å; A228-I232 WeakPolarHBondContact O-CG1 3.15Å; A228-I232 PolarHBondContact O-N 2.9Å; R229-I232 PolarHBondContact O-N 2.94Å; I232-R234 PolarHBondContact O-N 2.94Å; I232-G235 PolarHBondContact O-N 3.28Å; I232-V238 HydrophobicContact CD1-CG2 3.88Å; I232-V238 HydrophobicContact CG1-CG2 3.82Å; I232-V238 HydrophobicContact CG2-CG2 4.17Å; I232-L263 HydrophobicContact CD1-CD2 4.3Å; I232-L263 HydrophobicContact CD1-CG 4.27Å; I232-L264 HydrophobicContact CD1-CD2 4.38Å
233E92.4Very high92.9Very high141 Ų14148 Ų4866%0.65925%0.25SC*.Hα-helixtrans-61.8-24.9174.5-72.4171.9-171.100113.1R229 V230R229-E233 WeakPolarHBondContact CD-OE1 3.46Å; R229-E233 HydrophobicContact CG-CG 4.43Å; R229-E233 WeakPolarHBondContact CG-OE1 3.03Å; R229-E233 WeakPolarHBondContact O-CB 3.25Å; R229-E233 WeakPolarHBondContact O-CG 3.43Å; R229-E233 PolarHBondContact O-N 3Å; V230-E233 PolarHBondContact O-N 3.15Å
234R90.9Very high92.5Very high93 Ų9349 Ų4935%0.35125%0.249SC..THydrogen-bonded Turntrans-94.78.7174.3-61.3-78.2-176.21208.3113.6S195 L198 N199 V205 V230 L231 I232S195-R234 PolarHBondContact O-NH1 3.44Å; S195-R234 PolarHBondContact O-NH2 3.45Å; S195-R234 PolarHBondContact OG-NH2 2.88Å; L198-R234 VanDerWaalsContact C-NH1 3.31Å; L198-R234 HydrophobicContact CB-CG 4.45Å; L198-R234 HydrophobicContact CD1-CB 3.83Å; L198-R234 HydrophobicContact CD1-CG 3.92Å; L198-R234 PolarHBondContact O-NH1 3.36Å; N199-R234 PolarHBondContact OD1-NH1 3.08Å; V205-R234 HydrophobicContact CG2-CB 4.43Å; V230-R234 HydrophobicContact CG1-CG 4.2Å; V230-R234 VanDerWaalsContact O-CB 3.31Å; V230-R234 WeakPolarHBondContact O-CB 3.34Å; V230-R234 WeakPolarHBondContact O-CG 3.47Å; V230-R234 PolarHBondContact O-N 3.13Å; L231-R234 CarbonylContact O-C 3.54Å; L231-R234 PolarHBondContact O-N 2.88Å; I232-R234 PolarHBondContact O-N 2.94Å
235G90.3Very high92.3Very high49 Ų4951.2 Ų51.251%0.50526%0.262SS..THydrogen-bonded Turntrans92.922.7173.500000116.3N206 L231 I232N206-G235 PolarHBondContact ND2-O 3.42Å; N206-G235 VanDerWaalsContact ND2-O 3.16Å; L231-G235 PolarHBondContact O-N 3.01Å; L231-G235 VanDerWaalsContact O-N 3.16Å; I232-G235 PolarHBondContact O-N 3.28Å
236A93.2Very high92.3Very high8 Ų851.5 Ų51.57%0.06626%0.261CS..  trans-64.7134168.400000111.1V205 N206 L216 L231 V238V205-A236 HydrophobicContact CG2-CB 3.99Å; N206-A236 WeakPolarHBondContact OD1-CA 3.26Å; L216-A236 HydrophobicContact CB-CB 4.23Å; L216-A236 HydrophobicContact CD2-CB 4Å; L231-A236 VanDerWaalsContact C-CB 3.46Å; L231-A236 HydrophobicContact CB-CB 3.82Å; L231-A236 WeakPolarHBondContact O-CB 3.29Å; L231-A236 PolarHBondContact O-N 3.32Å; A236-V238 PolarHBondContact O-N 3.33Å
237D93.7Very high92.4Very high68 Ų6848.1 Ų48.136%0.36424%0.24SC..  trans-78.1110.6177.6173.315.8000110.3N206 N239 F240N206-D237 PolarHBondContact OD1-N 2.71Å; D237-N239 PolarHBondContact O-N 2.96Å; D237-N239 WeakPolarHBondContact OD1-CA 3.49Å; D237-N239 PolarHBondContact OD1-N 3.47Å; D237-F240 HydrophobicContact CB-CB 3.98Å; D237-F240 HydrophobicContact CB-CD2 4.03Å; D237-F240 VanDerWaalsContact CG-N 3.34Å; D237-F240 WeakPolarHBondContact O-CB 3.39Å; D237-F240 PolarHBondContact O-N 3.23Å; D237-F240 PolarHBondContact OD1-N 2.99Å; D237-F240 VanDerWaalsContact OD2-CA 3.27Å; D237-F240 WeakPolarHBondContact OD2-CA 3.2Å; D237-F240 PolarHBondContact OD2-N 2.88Å
238V95.2Very high92.5Very high11 Ų1148.1 Ų48.17%0.06724%0.24CC..THydrogen-bonded Turntrans-59.1-27178.4175.90000112.5L216 I232 A236 L264 A269L216-V238 HydrophobicContact CD2-CG2 4.45Å; I232-V238 HydrophobicContact CD1-CG2 3.88Å; I232-V238 HydrophobicContact CG1-CG2 3.82Å; I232-V238 HydrophobicContact CG2-CG2 4.17Å; A236-V238 PolarHBondContact O-N 3.33Å; V238-L264 HydrophobicContact CG1-CB 4.41Å; V238-L264 HydrophobicContact CG1-CD2 3.98Å; V238-A269 HydrophobicContact CG1-CB 3.61Å
239N95.3Very high92.6Very high38 Ų3848.1 Ų48.120%0.20324%0.24CC..THydrogen-bonded Turntrans-108.110-176.7-69.1-66000113.4D237 Q241 N268 A269 L270D237-N239 PolarHBondContact O-N 2.96Å; D237-N239 WeakPolarHBondContact OD1-CA 3.49Å; D237-N239 PolarHBondContact OD1-N 3.47Å; N239-Q241 PolarHBondContact O-N 3.05Å; N239-N268 PolarHBondContact ND2-O 2.92Å; N239-A269 WeakPolarHBondContact OD1-CA 3.27Å; N239-L270 HydrophobicContact CB-CD1 4.48Å; N239-L270 WeakPolarHBondContact OD1-CB 3.2Å; N239-L270 WeakPolarHBondContact OD1-CG 3.39Å; N239-L270 PolarHBondContact OD1-N 3.02Å
240F94.2Very high92.7Very high46 Ų4642.7 Ų42.720%0.20222%0.22CC..  trans-54.2135.2-175.5-160.6-82.3000111.4N206 Q208 T214 H217 D237 T247 P248N206-F240 HydrophobicContact CB-CD2 4.4Å; N206-F240 HydrophobicContact CB-CE2 4.4Å; Q208-F240 HydrophobicContact CG-CE1 4.29Å; T214-F240 HydrophobicContact CG2-CD1 3.68Å; T214-F240 HydrophobicContact CG2-CE1 4.05Å; T214-F240 HydrophobicContact CG2-CG 3.97Å; H217-F240 PolarHBondContact CE1-O 3.21Å; H217-F240 PolarHBondContact NE2-O 2.97Å; D237-F240 HydrophobicContact CB-CB 3.98Å; D237-F240 HydrophobicContact CB-CD2 4.03Å; D237-F240 VanDerWaalsContact CG-N 3.34Å; D237-F240 WeakPolarHBondContact O-CB 3.39Å; D237-F240 PolarHBondContact O-N 3.23Å; D237-F240 PolarHBondContact OD1-N 2.99Å; D237-F240 VanDerWaalsContact OD2-CA 3.27Å; D237-F240 WeakPolarHBondContact OD2-CA 3.2Å; D237-F240 PolarHBondContact OD2-N 2.88Å; F240-T247 WeakPolarHBondContact O-CA 3.45Å; F240-P248 WeakPolarHBondContact O-CD 3.47Å
241Q93Very high92.8Very high97 Ų9742 Ų4245%0.45322%0.216SC..  trans-103.3113.8-178.2-74.1179.131.900111.5N239 N245 I246 T247N239-Q241 PolarHBondContact O-N 3.05Å; Q241-N245 PolarHBondContact OE1-ND2 3.12Å; Q241-I246 CarbonylContact C-O 3.55Å; Q241-I246 WeakPolarHBondContact CA-O 3.16Å; Q241-T247 HydrophobicContact CG-CG2 3.82Å
242A88.7Confident92.9Very high8 Ų842 Ų427%0.06622%0.216CC..  trans-77.6-174.3167.600000111.5G212 F213 N244 N245 I246G212-A242 WeakPolarHBondContact O-CB 3.1Å; F213-A242 HydrophobicContact CD1-CB 3.64Å; F213-A242 HydrophobicContact CE1-CB 4.09Å; A242-N244 PolarHBondContact O-N 3.35Å; A242-N245 WeakPolarHBondContact O-CA 3.39Å; A242-N245 PolarHBondContact O-N 2.97Å; A242-I246 PolarHBondContact N-O 3.34Å
243K83Confident93Very high115 Ų11540.3 Ų40.350%0.521%0.207SC..G310 helixtrans-51.7141.6175.6-68.6176.7179169.20110.8Q210 P211 N245 I246Q210-K243 PolarHBondContact O-NZ 2.88Å; P211-K243 WeakPolarHBondContact O-CB 3.35Å; P211-K243 WeakPolarHBondContact O-CD 3.25Å; P211-K243 WeakPolarHBondContact O-CG 3.36Å; K243-N245 VanDerWaalsContact C-N 3.27Å; K243-N245 PolarHBondContact O-N 3.03Å; K243-I246 WeakPolarHBondContact O-CG1 3.17Å
244N85.3Confident93.1Very high41 Ų4135.4 Ų35.422%0.21918%0.184CC..G310 helixtrans5926.1-171.4-61.8-14.8000115.6A242 I246 T275 R276A242-N244 PolarHBondContact O-N 3.35Å; N244-I246 PolarHBondContact O-N 3.21Å; N244-T275 CarbonylContact O-C 3.54Å; N244-T275 WeakPolarHBondContact O-CA 3.47Å; N244-T275 WeakPolarHBondContact O-CB 3.42Å; N244-R276 HydrophobicContact CB-CB 4.14Å; N244-R276 PolarHBondContact O-N 2.95Å; N244-R276 PolarHBondContact OD1-NH1 3.05Å
245N90.7Very high93.2Very high72 Ų7234.9 Ų34.939%0.38518%0.182SC..G310 helixtrans60.129178.2-55.218.4000113.5Q241 A242 K243Q241-N245 PolarHBondContact OE1-ND2 3.12Å; A242-N245 WeakPolarHBondContact O-CA 3.39Å; A242-N245 PolarHBondContact O-N 2.97Å; K243-N245 VanDerWaalsContact C-N 3.27Å; K243-N245 PolarHBondContact O-N 3.03Å
246I93.6Very high93.3Very high47 Ų4734 Ų3424%0.24117%0.172CC..  trans-72.4134.7174.7-62.2171.9000108.4F213 H217 Q241 A242 K243 N244 H250 V251 T275F213-I246 HydrophobicContact CE1-CG2 4.24Å; H217-I246 PolarHBondContact NE2-O 3.35Å; Q241-I246 CarbonylContact C-O 3.55Å; Q241-I246 WeakPolarHBondContact CA-O 3.16Å; A242-I246 PolarHBondContact N-O 3.34Å; K243-I246 WeakPolarHBondContact O-CG1 3.17Å; N244-I246 PolarHBondContact O-N 3.21Å; I246-H250 HydrophobicContact CG2-CB 4.12Å; I246-V251 HydrophobicContact CG2-CG2 3.66Å; I246-T275 HydrophobicContact CG1-CG2 4.42Å
247T95.8Very high93.3Very high1 Ų137.7 Ų37.71%0.00619%0.185CC..  trans-112.2165.1176.462.60000111.1F240 Q241 L249 H250 V251 C273F240-T247 WeakPolarHBondContact O-CA 3.45Å; Q241-T247 HydrophobicContact CG-CG2 3.82Å; T247-L249 PolarHBondContact O-N 3.3Å; T247-L249 VanDerWaalsContact O-N 3.17Å; T247-H250 WeakPolarHBondContact O-CB 3.07Å; T247-H250 PolarHBondContact O-N 2.93Å; T247-H250 PolarHBondContact OG1-N 2.95Å; T247-H250 PolarHBondContact OG1-ND1 3.16Å; T247-V251 PolarHBondContact O-N 2.81Å; T247-V251 VanDerWaalsContact O-N 3.13Å; T247-C273 HydrophobicContact CG2-CB 4.37Å; T247-C273 PolarHBondContact OG1-SG 2.98Å
248P96Very high93.2Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-54.2-34.8172.6-26.435.5000112.7L216 A220 F240 V251 A252 L264L216-P248 HydrophobicContact CD2-CG 4.22Å; L216-P248 HydrophobicContact CG-CB 4.23Å; L216-P248 HydrophobicContact CG-CG 4.11Å; A220-P248 HydrophobicContact CB-CB 4.01Å; A220-P248 WeakPolarHBondContact CB-O 3.25Å; F240-P248 WeakPolarHBondContact O-CD 3.47Å; P248-V251 PolarHBondContact O-N 2.69Å; P248-A252 WeakPolarHBondContact O-CB 3.24Å; P248-A252 PolarHBondContact O-N 3.16Å; P248-L264 HydrophobicContact CB-CD1 3.98Å; P248-L264 HydrophobicContact CB-CD2 4.03Å
249L97.1Very high93.1Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-67-39.9176.7-173.564.1000112.5T247 V251 A253 V261 L264 L265 A269 P281 L297T247-L249 PolarHBondContact O-N 3.3Å; T247-L249 VanDerWaalsContact O-N 3.17Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 PolarHBondContact O-N 2.7Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.23Å; L249-V261 HydrophobicContact CD1-CB 4.35Å; L249-V261 HydrophobicContact CD1-CG1 3.89Å; L249-V261 HydrophobicContact CD1-CG2 4.18Å; L249-L264 HydrophobicContact CB-CD1 4.45Å; L249-L264 HydrophobicContact CD1-CB 4.36Å; L249-L264 HydrophobicContact CD1-CD1 4.49Å; L249-L265 HydrophobicContact CD1-CD2 4.3Å; L249-L265 HydrophobicContact CD1-CG 4.24Å; L249-L265 HydrophobicContact CD2-CD2 4.07Å; L249-A269 HydrophobicContact CB-CB 4.28Å; L249-A269 HydrophobicContact CD1-CB 4.49Å; L249-A269 HydrophobicContact CD2-CB 3.89Å; L249-A269 HydrophobicContact CG-CB 4.45Å; L249-P281 HydrophobicContact CB-CG 4.34Å; L249-P281 HydrophobicContact CD2-CB 4.28Å; L249-P281 HydrophobicContact CD2-CG 3.79Å; L249-P281 HydrophobicContact CG-CB 3.99Å; L249-P281 HydrophobicContact CG-CG 3.75Å; L249-L297 HydrophobicContact CD1-CD2 4.25Å
250H96.6Very high93.1Very high4 Ų435.8 Ų35.82%0.01919%0.192CC..Hα-helixtrans-61.7-40.9172.1-76.899.5000112.1I246 T247 K254 C273 L279I246-H250 HydrophobicContact CG2-CB 4.12Å; T247-H250 WeakPolarHBondContact O-CB 3.07Å; T247-H250 PolarHBondContact O-N 2.93Å; T247-H250 PolarHBondContact OG1-N 2.95Å; T247-H250 PolarHBondContact OG1-ND1 3.16Å; H250-K254 WeakPolarHBondContact O-CB 3.26Å; H250-K254 PolarHBondContact O-N 2.63Å; H250-C273 PolarHBondContact CE1-O 3.46Å; H250-C273 PolarHBondContact CE1-SG 3.33Å; H250-C273 PolarHBondContact ND1-SG 3.39Å; H250-C273 PolarHBondContact NE2-O 2.82Å; H250-L279 PolarHBondContact NE2-O 3.42Å; H250-L279 VanDerWaalsContact NE2-O 3.08Å
251V95.4Very high93.2Very high7 Ų733.6 Ų33.64%0.04218%0.182CC..Hα-helixtrans-66.3-50.6178.7178.50000110.4F213 A220 H221 I246 T247 P248 L249 A253 K254 W255F213-V251 HydrophobicContact CE1-CG2 4.48Å; F213-V251 HydrophobicContact CZ-CG2 4.37Å; A220-V251 HydrophobicContact CB-CB 4.49Å; H221-V251 HydrophobicContact CB-CG1 3.85Å; I246-V251 HydrophobicContact CG2-CG2 3.66Å; T247-V251 PolarHBondContact O-N 2.81Å; T247-V251 VanDerWaalsContact O-N 3.13Å; P248-V251 PolarHBondContact O-N 2.69Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 PolarHBondContact O-N 2.7Å; V251-A253 VanDerWaalsContact C-N 3.29Å; V251-A253 PolarHBondContact O-N 3.4Å; V251-K254 PolarHBondContact O-N 3.21Å; V251-W255 VanDerWaalsContact O-CD1 3.26Å; V251-W255 PolarHBondContact O-N 3.47Å
252A96.3Very high93.3Very high0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-61-37.1178.200000112.3A220 P248 G256 R257 M260 V261 L264A220-A252 HydrophobicContact CB-CB 4.28Å; P248-A252 WeakPolarHBondContact O-CB 3.24Å; P248-A252 PolarHBondContact O-N 3.16Å; A252-G256 PolarHBondContact O-N 2.92Å; A252-R257 HydrophobicContact CB-CB 4.22Å; A252-R257 PolarHBondContact O-N 3.02Å; A252-M260 HydrophobicContact CB-CB 4.16Å; A252-M260 HydrophobicContact CB-CG 3.72Å; A252-V261 HydrophobicContact CB-CG2 3.51Å; A252-L264 HydrophobicContact CB-CD1 4.03Å
253A95.7Very high93.6Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-71.4-33.8175.400000113.9L249 V251 P281 C284 A285 H290 L297L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.23Å; V251-A253 VanDerWaalsContact C-N 3.29Å; V251-A253 PolarHBondContact O-N 3.4Å; A253-P281 HydrophobicContact CB-CB 3.8Å; A253-P281 WeakPolarHBondContact CB-O 3.4Å; A253-C284 HydrophobicContact CB-CB 4.35Å; A253-A285 HydrophobicContact CB-CB 4.5Å; A253-A285 WeakPolarHBondContact O-CA 3.11Å; A253-H290 PolarHBondContact O-CD2 3.18Å; A253-L297 HydrophobicContact CB-CD1 4Å
254K94.5Very high94.3Very high38 Ų3827.6 Ų27.617%0.16516%0.155CC..Hα-helixtrans-64.7-45.1172-175.2-174.6-175.7-168.40111.4H250 V251 C284 H290 H1924 Y1925H250-K254 WeakPolarHBondContact O-CB 3.26Å; H250-K254 PolarHBondContact O-N 2.63Å; V251-K254 PolarHBondContact O-N 3.21Å; K254-C284 HydrophobicContact CB-CB 4.33Å; K254-H290 PolarHBondContact O-CD2 2.89Å; K254-H290 PolarHBondContact O-NE2 2.57Å; K254-H1924 WeakPolarHBondContact CE-O 3.47Å; K254-H1924 PolarHBondContact NZ-O 3Å; K254-Y1925 HydrophobicContact CD-CE2 4.23Å; K254-Y1925 WeakPolarHBondContact CE-OH 3.48Å; K254-Y1925 HydrophobicContact CG-CE2 3.93Å; K254-Y1925 WeakPolarHBondContact CG-OH 3.33Å; K254-Y1925 PolarHBondContact O-OH 2.86Å; K254-Y1925 VanDerWaalsContact O-OH 3.06Å
255W93.5Very high94.7Very high82 Ų8226.7 Ų26.731%0.31115%0.15SC..THydrogen-bonded Turntrans-95.816.9-172.1-64.5107.4000114.7H221 V251 R257H221-W255 AromaticContact CD2-CD1 3.71Å; H221-W255 AromaticContact CD2-CE2 3.74Å; H221-W255 AromaticContact CD2-NE1 3.21Å; H221-W255 PolarHBondContact CD2-NE1 2.99Å; H221-W255 AromaticContact NE2-CE2 3.4Å; H221-W255 AromaticContact NE2-CZ2 3.44Å; H221-W255 WeakPolarHBondContact NE2-CZ2 3.15Å; H221-W255 AromaticContact NE2-NE1 3.4Å; H221-W255 PolarHBondContact NE2-NE1 3.32Å; V251-W255 VanDerWaalsContact O-CD1 3.26Å; V251-W255 PolarHBondContact O-N 3.47Å; W255-R257 VanDerWaalsContact C-N 3.26Å; W255-R257 HydrophobicContact CB-CG 4.06Å; W255-R257 VanDerWaalsContact O-CD 3.26Å; W255-R257 WeakPolarHBondContact O-CD 3.18Å; W255-R257 PolarHBondContact O-N 3.26Å; W255-R257 PolarHBondContact O-NE 3.13Å
256G92.2Very high94.9Very high30 Ų3028.7 Ų28.731%0.30916%0.161SC..THydrogen-bonded Turntrans69.217171.800000115.1A252 G258 H290A252-G256 PolarHBondContact O-N 2.92Å; G256-G258 VanDerWaalsContact C-N 3.31Å; G256-G258 PolarHBondContact O-N 3.46Å; G256-H290 PolarHBondContact N-CD2 2.99Å; G256-H290 PolarHBondContact N-NE2 3.25Å
257R94.6Very high94.9Very high86 Ų8628 Ų2833%0.32516%0.16SC..  trans-81.169.4-168.4-52.7-54.5-171.3-168.90.8112.2H221 F222 A252 W255 G259 M260 V261H221-R257 PolarHBondContact O-NE 3.02Å; H221-R257 PolarHBondContact O-NH2 3.05Å; F222-R257 PolarHBondContact O-NE 3.02Å; A252-R257 HydrophobicContact CB-CB 4.22Å; A252-R257 PolarHBondContact O-N 3.02Å; W255-R257 VanDerWaalsContact C-N 3.26Å; W255-R257 HydrophobicContact CB-CG 4.06Å; W255-R257 VanDerWaalsContact O-CD 3.26Å; W255-R257 WeakPolarHBondContact O-CD 3.18Å; W255-R257 PolarHBondContact O-N 3.26Å; W255-R257 PolarHBondContact O-NE 3.13Å; R257-G259 PolarHBondContact O-N 2.87Å; R257-M260 HydrophobicContact CB-CB 3.78Å; R257-M260 WeakPolarHBondContact O-CA 3.02Å; R257-M260 VanDerWaalsContact O-CB 3.32Å; R257-M260 WeakPolarHBondContact O-CB 3.42Å; R257-M260 PolarHBondContact O-N 3.41Å; R257-V261 PolarHBondContact O-N 2.92Å
258G91.4Very high94.7Very high28 Ų2834.3 Ų34.329%0.28919%0.194SC..Hα-helixtrans-49.3-50.3-174.400000115.3G256 M260 V261 Q262G256-G258 VanDerWaalsContact C-N 3.31Å; G256-G258 PolarHBondContact O-N 3.46Å; G258-M260 VanDerWaalsContact C-N 3.29Å; G258-M260 PolarHBondContact O-N 3.26Å; G258-V261 PolarHBondContact O-N 3.12Å; G258-Q262 PolarHBondContact O-N 3.48Å
259G92.7Very high94.6Very high48 Ų4834.7 Ų34.750%0.49520%0.197SC..Hα-helixtrans-63.6-30.8177.700000114.3R257 L263R257-G259 PolarHBondContact O-N 2.87Å; G259-L263 PolarHBondContact O-N 3.49Å; G259-L263 VanDerWaalsContact O-N 3.1Å
260M95.4Very high94.4Very high1 Ų139.6 Ų39.61%0.00522%0.223CC..Hα-helixtrans-72.6-46172.9179.669.554.900111.3A219 A220 N224 V225 A228 A252 R257 G258 Q262 L263 L264A219-M260 HydrophobicContact CB-CE 4.36Å; A219-M260 VanDerWaalsContact O-CE 3.27Å; A219-M260 WeakPolarHBondContact O-CE 3.49Å; A220-M260 HydrophobicContact CB-CG 3.96Å; A220-M260 HydrophobicContact CB-SD 4.17Å; N224-M260 VanDerWaalsContact C-CE 3.43Å; N224-M260 WeakPolarHBondContact O-CE 3.35Å; V225-M260 HydrophobicContact CG2-CE 4.37Å; A228-M260 HydrophobicContact CB-CE 3.58Å; A228-M260 HydrophobicContact CB-SD 3.58Å; A228-M260 VanDerWaalsContact CB-SD 3.58Å; A252-M260 HydrophobicContact CB-CB 4.16Å; A252-M260 HydrophobicContact CB-CG 3.72Å; R257-M260 HydrophobicContact CB-CB 3.78Å; R257-M260 WeakPolarHBondContact O-CA 3.02Å; R257-M260 VanDerWaalsContact O-CB 3.32Å; R257-M260 WeakPolarHBondContact O-CB 3.42Å; R257-M260 PolarHBondContact O-N 3.41Å; G258-M260 VanDerWaalsContact C-N 3.29Å; G258-M260 PolarHBondContact O-N 3.26Å; M260-Q262 VanDerWaalsContact C-N 3.28Å; M260-Q262 PolarHBondContact O-N 3.37Å; M260-L263 WeakPolarHBondContact O-CB 2.99Å; M260-L263 PolarHBondContact O-N 3.14Å; M260-L263 VanDerWaalsContact O-N 3.12Å; M260-L264 HydrophobicContact CG-CD1 3.79Å; M260-L264 HydrophobicContact CG-CG 4.22Å; M260-L264 WeakPolarHBondContact O-CB 3.26Å; M260-L264 VanDerWaalsContact O-CG 3.3Å; M260-L264 WeakPolarHBondContact O-CG 3.39Å; M260-L264 PolarHBondContact O-N 3.32Å; M260-L264 HydrophobicContact SD-CD1 4.26Å; M260-L264 HydrophobicContact SD-CG 4.21Å
261V95.7Very high94.3Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-57.9-43.8176168.70000110.2L249 A252 R257 G258 L263 L264 L265 L293 L296 L297L249-V261 HydrophobicContact CD1-CB 4.35Å; L249-V261 HydrophobicContact CD1-CG1 3.89Å; L249-V261 HydrophobicContact CD1-CG2 4.18Å; A252-V261 HydrophobicContact CB-CG2 3.51Å; R257-V261 PolarHBondContact O-N 2.92Å; G258-V261 PolarHBondContact O-N 3.12Å; V261-L263 PolarHBondContact O-N 3.37Å; V261-L264 PolarHBondContact O-N 3.4Å; V261-L265 HydrophobicContact CG1-CD1 3.53Å; V261-L265 HydrophobicContact CG1-CG 4.16Å; V261-L265 WeakPolarHBondContact O-CB 3.36Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.46Å; V261-L293 HydrophobicContact CB-CD1 3.72Å; V261-L293 HydrophobicContact CG1-CD1 3.79Å; V261-L293 HydrophobicContact CG2-CD1 3.76Å; V261-L293 HydrophobicContact CG2-CD2 4.08Å; V261-L293 HydrophobicContact CG2-CG 4.29Å; V261-L296 HydrophobicContact CG1-CD2 3.89Å; V261-L297 HydrophobicContact CG1-CD2 3.94Å; V261-L297 HydrophobicContact CG1-CG 4.34Å
262Q95.3Very high94.1Very high82 Ų8242.8 Ų42.838%0.38324%0.241SC..Hα-helixtrans-62.1-41.9174.8-165.768.466.300112.4G258 M260 N266G258-Q262 PolarHBondContact O-N 3.48Å; M260-Q262 VanDerWaalsContact C-N 3.28Å; M260-Q262 PolarHBondContact O-N 3.37Å; Q262-N266 PolarHBondContact NE2-OD1 3.07Å; Q262-N266 WeakPolarHBondContact O-CB 3.28Å; Q262-N266 PolarHBondContact O-N 2.83Å; Q262-N266 PolarHBondContact O-OD1 3.44Å; Q262-N266 VanDerWaalsContact O-OD1 3.14Å
263L95.6Very high93.9Very high12 Ų1243.4 Ų43.46%0.06325%0.245CC..Hα-helixtrans-61.7-47.5175177.167.5000111.8V225 A228 R229 I232 G259 M260 V261 N266 S267V225-L263 HydrophobicContact CG1-CB 4.3Å; V225-L263 HydrophobicContact CG1-CD2 3.89Å; A228-L263 HydrophobicContact CB-CD2 3.6Å; R229-L263 HydrophobicContact CB-CD2 4.32Å; I232-L263 HydrophobicContact CD1-CD2 4.3Å; I232-L263 HydrophobicContact CD1-CG 4.27Å; G259-L263 PolarHBondContact O-N 3.49Å; G259-L263 VanDerWaalsContact O-N 3.1Å; M260-L263 WeakPolarHBondContact O-CB 2.99Å; M260-L263 PolarHBondContact O-N 3.14Å; M260-L263 VanDerWaalsContact O-N 3.12Å; V261-L263 PolarHBondContact O-N 3.37Å; L263-N266 PolarHBondContact O-N 3.15Å; L263-S267 WeakPolarHBondContact O-CB 3.19Å; L263-S267 PolarHBondContact O-N 2.86Å; L263-S267 PolarHBondContact O-OG 3.19Å
264L96.4Very high93.9Very high0 Ų048.4 Ų48.40%026%0.264CS..Hα-helixtrans-63.8-46.6-179.2-68.9170.7000111.1L216 A220 I232 V238 P248 L249 A252 M260 V261 S267 N268 A269L216-L264 HydrophobicContact CD1-CD2 4.34Å; L216-L264 HydrophobicContact CD2-CD2 4.24Å; L216-L264 HydrophobicContact CG-CD2 4.41Å; A220-L264 HydrophobicContact CB-CD1 4.45Å; I232-L264 HydrophobicContact CD1-CD2 4.38Å; V238-L264 HydrophobicContact CG1-CB 4.41Å; V238-L264 HydrophobicContact CG1-CD2 3.98Å; P248-L264 HydrophobicContact CB-CD1 3.98Å; P248-L264 HydrophobicContact CB-CD2 4.03Å; L249-L264 HydrophobicContact CB-CD1 4.45Å; L249-L264 HydrophobicContact CD1-CB 4.36Å; L249-L264 HydrophobicContact CD1-CD1 4.49Å; A252-L264 HydrophobicContact CB-CD1 4.03Å; M260-L264 HydrophobicContact CG-CD1 3.79Å; M260-L264 HydrophobicContact CG-CG 4.22Å; M260-L264 WeakPolarHBondContact O-CB 3.26Å; M260-L264 VanDerWaalsContact O-CG 3.3Å; M260-L264 WeakPolarHBondContact O-CG 3.39Å; M260-L264 PolarHBondContact O-N 3.32Å; M260-L264 HydrophobicContact SD-CD1 4.26Å; M260-L264 HydrophobicContact SD-CG 4.21Å; V261-L264 PolarHBondContact O-N 3.4Å; L264-S267 CarbonylContact O-C 3.54Å; L264-S267 VanDerWaalsContact O-C 3.27Å; L264-S267 WeakPolarHBondContact O-CA 3.43Å; L264-S267 PolarHBondContact O-N 3.26Å; L264-N268 PolarHBondContact O-N 3.17Å; L264-A269 VanDerWaalsContact C-CB 3.46Å; L264-A269 HydrophobicContact CB-CB 3.91Å; L264-A269 WeakPolarHBondContact O-CB 3.46Å; L264-A269 PolarHBondContact O-N 3.15Å
265L94.8Very high93.8Very high23 Ų2347.2 Ų47.212%0.1226%0.26CS..Hα-helixtrans-62.1-44.2176.4-69168.9000111.9L249 V261 S267 N268 V271 L296 L297 A300L249-L265 HydrophobicContact CD1-CD2 4.3Å; L249-L265 HydrophobicContact CD1-CG 4.24Å; L249-L265 HydrophobicContact CD2-CD2 4.07Å; V261-L265 HydrophobicContact CG1-CD1 3.53Å; V261-L265 HydrophobicContact CG1-CG 4.16Å; V261-L265 WeakPolarHBondContact O-CB 3.36Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.46Å; L265-S267 PolarHBondContact O-N 3.17Å; L265-S267 VanDerWaalsContact O-N 3.13Å; L265-N268 PolarHBondContact O-N 2.94Å; L265-N268 VanDerWaalsContact O-N 3.12Å; L265-V271 HydrophobicContact CD2-CB 4.37Å; L265-V271 HydrophobicContact CD2-CG1 4.21Å; L265-V271 HydrophobicContact CD2-CG2 3.75Å; L265-L296 HydrophobicContact CD1-CD2 3.48Å; L265-L296 VanDerWaalsContact CD1-CD2 3.48Å; L265-L297 HydrophobicContact CD1-CD2 4.42Å; L265-A300 HydrophobicContact CD1-CB 3.8Å; L265-A300 HydrophobicContact CD2-CB 4.12Å
266N94.5Very high93.5Very high113 Ų11348.4 Ų48.460%0.60426%0.264SS*.THydrogen-bonded Turntrans-65.3-12.2173.4-67.78.4000113.1Q262 L263Q262-N266 PolarHBondContact NE2-OD1 3.07Å; Q262-N266 WeakPolarHBondContact O-CB 3.28Å; Q262-N266 PolarHBondContact O-N 2.83Å; Q262-N266 PolarHBondContact O-OD1 3.44Å; Q262-N266 VanDerWaalsContact O-OD1 3.14Å; L263-N266 PolarHBondContact O-N 3.15Å
267S93.4Very high93.3Very high33 Ų3348.3 Ų48.323%0.23126%0.257CS..THydrogen-bonded Turntrans-10925.7176.5-48.30000112.2L263 L264 L265L263-S267 WeakPolarHBondContact O-CB 3.19Å; L263-S267 PolarHBondContact O-N 2.86Å; L263-S267 PolarHBondContact O-OG 3.19Å; L264-S267 CarbonylContact O-C 3.54Å; L264-S267 VanDerWaalsContact O-C 3.27Å; L264-S267 WeakPolarHBondContact O-CA 3.43Å; L264-S267 PolarHBondContact O-N 3.26Å; L265-S267 PolarHBondContact O-N 3.17Å; L265-S267 VanDerWaalsContact O-N 3.13Å
268N92Very high93.1Very high134 Ų13444.6 Ų44.672%0.71725%0.245SC*.THydrogen-bonded Turntrans64.138.1177.9-61.125.4000115N239 L264 L265N239-N268 PolarHBondContact ND2-O 2.92Å; L264-N268 PolarHBondContact O-N 3.17Å; L265-N268 PolarHBondContact O-N 2.94Å; L265-N268 VanDerWaalsContact O-N 3.12Å
269A94.3Very high93.2Very high7 Ų745.1 Ų45.16%0.05824%0.241CC..  trans-64.7134.2165.500000111.8V238 N239 L249 L264 V271V238-A269 HydrophobicContact CG1-CB 3.61Å; N239-A269 WeakPolarHBondContact OD1-CA 3.27Å; L249-A269 HydrophobicContact CB-CB 4.28Å; L249-A269 HydrophobicContact CD1-CB 4.49Å; L249-A269 HydrophobicContact CD2-CB 3.89Å; L249-A269 HydrophobicContact CG-CB 4.45Å; L264-A269 VanDerWaalsContact C-CB 3.46Å; L264-A269 HydrophobicContact CB-CB 3.91Å; L264-A269 WeakPolarHBondContact O-CB 3.46Å; L264-A269 PolarHBondContact O-N 3.15Å; A269-V271 PolarHBondContact O-N 3.45Å; A269-V271 VanDerWaalsContact O-N 3.14Å
270L93Very high93.4Very high104 Ų10442.9 Ų42.955%0.54522%0.218SC..  trans-71.3104.2179.4-69172.8000110.4N239 D272 C273N239-L270 HydrophobicContact CB-CD1 4.48Å; N239-L270 WeakPolarHBondContact OD1-CB 3.2Å; N239-L270 WeakPolarHBondContact OD1-CG 3.39Å; N239-L270 PolarHBondContact OD1-N 3.02Å; L270-D272 PolarHBondContact O-N 3.27Å; L270-C273 HydrophobicContact CB-CB 3.95Å; L270-C273 WeakPolarHBondContact O-CB 3.09Å; L270-C273 PolarHBondContact O-N 2.92Å; L270-C273 PolarHBondContact O-SG 3.45Å
271V93.2Very high93.4Very high33 Ų3342.8 Ų42.820%0.222%0.217CC..THydrogen-bonded Turntrans-56.6-47-169.6-162.40000113.1L265 A269 P281 L297 A300 A302L265-V271 HydrophobicContact CD2-CB 4.37Å; L265-V271 HydrophobicContact CD2-CG1 4.21Å; L265-V271 HydrophobicContact CD2-CG2 3.75Å; A269-V271 PolarHBondContact O-N 3.45Å; A269-V271 VanDerWaalsContact O-N 3.14Å; V271-P281 WeakPolarHBondContact O-CD 3.48Å; V271-P281 WeakPolarHBondContact O-CG 3.37Å; V271-L297 HydrophobicContact CG1-CD2 4.5Å; V271-A300 HydrophobicContact CG1-CB 4.25Å; V271-A300 HydrophobicContact CG2-CB 4.45Å; V271-A302 HydrophobicContact CG1-CB 3.69Å
272D92.8Very high93.5Very high45 Ų4542.8 Ų42.824%0.24122%0.217CC..THydrogen-bonded Turntrans-103.639.8174.4-81.6-35.2000112.5L270 T280 N303L270-D272 PolarHBondContact O-N 3.27Å; D272-T280 HydrophobicContact CB-CG2 4.31Å; D272-N303 VanDerWaalsContact OD2-CB 3.31Å; D272-N303 WeakPolarHBondContact OD2-CB 3.11Å; D272-N303 PolarHBondContact OD2-N 3.38Å
273C91.4Very high93.6Very high12 Ų1239 Ų398%0.08120%0.199CC..  trans-56.3152.1160.559.40000110.3T247 H250 L270 T280 P281T247-C273 HydrophobicContact CG2-CB 4.37Å; T247-C273 PolarHBondContact OG1-SG 2.98Å; H250-C273 PolarHBondContact CE1-O 3.46Å; H250-C273 PolarHBondContact CE1-SG 3.33Å; H250-C273 PolarHBondContact ND1-SG 3.39Å; H250-C273 PolarHBondContact NE2-O 2.82Å; L270-C273 HydrophobicContact CB-CB 3.95Å; L270-C273 WeakPolarHBondContact O-CB 3.09Å; L270-C273 PolarHBondContact O-N 2.92Å; L270-C273 PolarHBondContact O-SG 3.45Å; C273-T280 WeakPolarHBondContact O-CA 3.36Å; C273-P281 VanDerWaalsContact O-CD 3.32Å; C273-P281 WeakPolarHBondContact O-CD 3.43Å
274R94.5Very high93.5Very high105 Ų10539.3 Ų39.340%0.39620%0.203SC..  trans-127.1134.4-174.1-73.4178.3176.895.3-14.9112.4L279 T280R274-L279 CarbonylContact C-O 3.48Å; R274-L279 VanDerWaalsContact CA-O 3.25Å; R274-L279 WeakPolarHBondContact CA-O 3.25Å; R274-T280 HydrophobicContact CG-CG2 3.84Å
275T92.6Very high93.5Very high13 Ų1339.3 Ų39.38%0.0820%0.203CC..  trans-64.9171.4166.474.10000111.1N244 I246 D277 G278 L279N244-T275 CarbonylContact O-C 3.54Å; N244-T275 WeakPolarHBondContact O-CA 3.47Å; N244-T275 WeakPolarHBondContact O-CB 3.42Å; I246-T275 HydrophobicContact CG1-CG2 4.42Å; T275-D277 PolarHBondContact O-N 3.15Å; T275-D277 PolarHBondContact OG1-N 3.24Å; T275-G278 PolarHBondContact O-N 3.29Å; T275-L279 HydrophobicContact CG2-CB 3.98Å; T275-L279 PolarHBondContact N-O 3.21Å; T275-L279 WeakPolarHBondContact OG1-CB 3.12Å; T275-L279 PolarHBondContact OG1-N 3.44Å
276R88.3Confident93.6Very high107 Ų10738.2 Ų38.240%0.40420%0.197SC..THydrogen-bonded Turntrans-47.6-32.6171.7-172.1-177.271.7177.43.4112.9N244 R309N244-R276 HydrophobicContact CB-CB 4.14Å; N244-R276 PolarHBondContact O-N 2.95Å; N244-R276 PolarHBondContact OD1-NH1 3.05Å; R276-R309 WeakPolarHBondContact O-CD 3.19Å; R276-R309 PolarHBondContact O-NE 3.04Å; R276-R309 PolarHBondContact O-NH1 3.39Å; R276-R309 PolarHBondContact O-NH2 3.23Å
277D87.4Confident93.6Very high29 Ų2934.2 Ų34.216%0.15517%0.173CC..THydrogen-bonded Turntrans-101.98-172.5-30.4-80.7000112T275 R309 C1921T275-D277 PolarHBondContact O-N 3.15Å; T275-D277 PolarHBondContact OG1-N 3.24Å; D277-R309 WeakPolarHBondContact O-CB 3.41Å; D277-R309 PolarHBondContact O-N 3.45Å; D277-C1921 VanDerWaalsContact CG-CB 3.49Å; D277-C1921 WeakPolarHBondContact OD1-CB 3.43Å; D277-C1921 WeakPolarHBondContact OD2-CB 3.46Å; D277-C1921 PolarHBondContact OD2-SG 3.17Å
278G89.7Confident93.6Very high8 Ų833.5 Ų33.58%0.08217%0.168CC..  trans80.39.6175.500000115.1T275T275-G278 PolarHBondContact O-N 3.29Å
279L94.9Very high93.6Very high39 Ų3928.8 Ų28.820%0.20415%0.152CC..  trans-65138.2170-62.6163.5000108.8H250 R274 T275 H283 T308 M317H250-L279 PolarHBondContact NE2-O 3.42Å; H250-L279 VanDerWaalsContact NE2-O 3.08Å; R274-L279 CarbonylContact C-O 3.48Å; R274-L279 VanDerWaalsContact CA-O 3.25Å; R274-L279 WeakPolarHBondContact CA-O 3.25Å; T275-L279 HydrophobicContact CG2-CB 3.98Å; T275-L279 PolarHBondContact N-O 3.21Å; T275-L279 WeakPolarHBondContact OG1-CB 3.12Å; T275-L279 PolarHBondContact OG1-N 3.44Å; L279-H283 HydrophobicContact CB-CB 4.22Å; L279-H283 HydrophobicContact CD2-CB 3.79Å; L279-T308 HydrophobicContact CD2-CG2 3.64Å; L279-T308 HydrophobicContact CG-CG2 4.24Å; L279-M317 HydrophobicContact CD2-CE 3.59Å; L279-M317 HydrophobicContact CD2-SD 4.24Å
280T96.3Very high93.6Very high0 Ų031 Ų310%016%0.161CC..  trans-102.2168167.265.60000110.4D272 C273 R274 L282 H283 C284 A306D272-T280 HydrophobicContact CB-CG2 4.31Å; C273-T280 WeakPolarHBondContact O-CA 3.36Å; R274-T280 HydrophobicContact CG-CG2 3.84Å; T280-L282 PolarHBondContact O-N 3.29Å; T280-L282 VanDerWaalsContact O-N 3.16Å; T280-L282 PolarHBondContact OG1-N 2.98Å; T280-H283 PolarHBondContact N-ND1 2.88Å; T280-H283 WeakPolarHBondContact O-CA 3.1Å; T280-H283 WeakPolarHBondContact O-CB 3.21Å; T280-H283 PolarHBondContact O-N 2.89Å; T280-H283 PolarHBondContact OG1-N 2.98Å; T280-H283 PolarHBondContact OG1-ND1 3.4Å; T280-C284 PolarHBondContact O-N 3.12Å; T280-A306 HydrophobicContact CG2-CB 4.32Å
281P96.2Very high93.6Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-51.6-35.2170.5-29.437000113.3L249 A253 V271 C273 C284 A285 L297L249-P281 HydrophobicContact CB-CG 4.34Å; L249-P281 HydrophobicContact CD2-CB 4.28Å; L249-P281 HydrophobicContact CD2-CG 3.79Å; L249-P281 HydrophobicContact CG-CB 3.99Å; L249-P281 HydrophobicContact CG-CG 3.75Å; A253-P281 HydrophobicContact CB-CB 3.8Å; A253-P281 WeakPolarHBondContact CB-O 3.4Å; V271-P281 WeakPolarHBondContact O-CD 3.48Å; V271-P281 WeakPolarHBondContact O-CG 3.37Å; C273-P281 VanDerWaalsContact O-CD 3.32Å; C273-P281 WeakPolarHBondContact O-CD 3.43Å; P281-C284 WeakPolarHBondContact O-CB 3.32Å; P281-C284 PolarHBondContact O-N 3.32Å; P281-A285 PolarHBondContact O-N 2.93Å; P281-L297 HydrophobicContact CB-CD1 4.16Å; P281-L297 HydrophobicContact CB-CD2 4.12Å
282L96.8Very high93.6Very high0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-68.2-35.5174.7-175.461.5000112.8T280 C284 A286 A294 L297 M298 A302 P304 P314 L330T280-L282 PolarHBondContact O-N 3.29Å; T280-L282 VanDerWaalsContact O-N 3.16Å; T280-L282 PolarHBondContact OG1-N 2.98Å; L282-C284 VanDerWaalsContact C-N 3.33Å; L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 3.3Å; L282-A294 HydrophobicContact CD1-CB 3.76Å; L282-L297 HydrophobicContact CD1-CB 4.34Å; L282-M298 HydrophobicContact CD1-CG 3.93Å; L282-M298 HydrophobicContact CD1-SD 4.35Å; L282-M298 HydrophobicContact CD2-CG 3.6Å; L282-M298 HydrophobicContact CD2-SD 4.02Å; L282-M298 HydrophobicContact CG-CG 4.44Å; L282-A302 HydrophobicContact CB-CB 4.01Å; L282-A302 HydrophobicContact CD2-CB 3.93Å; L282-A302 HydrophobicContact CG-CB 4.48Å; L282-P304 HydrophobicContact CD2-CB 4.33Å; L282-P314 HydrophobicContact CB-CG 4.47Å; L282-P314 HydrophobicContact CD2-CG 4.08Å; L282-P314 HydrophobicContact CG-CB 4.14Å; L282-P314 HydrophobicContact CG-CG 3.97Å; L282-L330 HydrophobicContact CD1-CD2 4.09Å; L282-L330 HydrophobicContact CD2-CD2 4.24Å; L282-L330 HydrophobicContact CG-CD2 4.3Å
283H96.8Very high93.6Very high1 Ų131.6 Ų31.61%0.00516%0.16CC..Hα-helixtrans-63.4-39.7170-70.782000111.7L279 T280 A286 R287 A306 T308 L312 P314 M317L279-H283 HydrophobicContact CB-CB 4.22Å; L279-H283 HydrophobicContact CD2-CB 3.79Å; T280-H283 PolarHBondContact N-ND1 2.88Å; T280-H283 WeakPolarHBondContact O-CA 3.1Å; T280-H283 WeakPolarHBondContact O-CB 3.21Å; T280-H283 PolarHBondContact O-N 2.89Å; T280-H283 PolarHBondContact OG1-N 2.98Å; T280-H283 PolarHBondContact OG1-ND1 3.4Å; H283-A286 PolarHBondContact O-N 2.79Å; H283-R287 WeakPolarHBondContact O-CB 3.26Å; H283-R287 PolarHBondContact O-N 3.4Å; H283-A306 PolarHBondContact CE1-O 3.21Å; H283-A306 PolarHBondContact NE2-O 2.83Å; H283-T308 VanDerWaalsContact CD2-CG2 3.46Å; H283-T308 WeakPolarHBondContact CD2-CG2 3.26Å; H283-T308 WeakPolarHBondContact NE2-CG2 3.42Å; H283-L312 PolarHBondContact NE2-O 3.13Å; H283-P314 WeakPolarHBondContact NE2-CD 3.3Å; H283-M317 HydrophobicContact CB-CG 4.28Å
284C95.1Very high93.7Very high20 Ų2031 Ų3114%0.13516%0.156CC..Hα-helixtrans-62.1-56.2175.2-68.80000110.6A253 K254 T280 P281 L282 A286 R287 S288A253-C284 HydrophobicContact CB-CB 4.35Å; K254-C284 HydrophobicContact CB-CB 4.33Å; T280-C284 PolarHBondContact O-N 3.12Å; P281-C284 WeakPolarHBondContact O-CB 3.32Å; P281-C284 PolarHBondContact O-N 3.32Å; L282-C284 VanDerWaalsContact C-N 3.33Å; C284-A286 PolarHBondContact O-N 2.97Å; C284-R287 PolarHBondContact O-N 3.31Å; C284-S288 VanDerWaalsContact O-CB 3.29Å; C284-S288 WeakPolarHBondContact O-CB 3.4Å; C284-S288 PolarHBondContact O-N 2.95Å; C284-S288 PolarHBondContact O-OG 3.06Å
285A95.9Very high93.7Very high0 Ų027.6 Ų27.60%015%0.148CC..Hα-helixtrans-54.6-42176.800000111.8A253 P281 S288 G289 H290 L297A253-A285 HydrophobicContact CB-CB 4.5Å; A253-A285 WeakPolarHBondContact O-CA 3.11Å; P281-A285 PolarHBondContact O-N 2.93Å; A285-S288 PolarHBondContact O-N 3.45Å; A285-S288 VanDerWaalsContact O-N 3.09Å; A285-G289 PolarHBondContact O-N 3.18Å; A285-H290 HydrophobicContact CB-CB 4.44Å; A285-H290 PolarHBondContact O-N 2.89Å; A285-L297 HydrophobicContact CB-CD1 3.93Å
286A95.9Very high93.7Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-72.4-29-177.500000114.9L282 H283 C284 S288 P314 A318 N323 V326 L330L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 3.3Å; H283-A286 PolarHBondContact O-N 2.79Å; C284-A286 PolarHBondContact O-N 2.97Å; A286-S288 VanDerWaalsContact C-N 3.26Å; A286-P314 HydrophobicContact CB-CB 3.77Å; A286-P314 WeakPolarHBondContact CB-O 3.26Å; A286-A318 VanDerWaalsContact O-CA 3.26Å; A286-A318 WeakPolarHBondContact O-CA 3.45Å; A286-A318 PolarHBondContact O-N 3.48Å; A286-N323 PolarHBondContact O-ND2 3.09Å; A286-V326 VanDerWaalsContact CA-CG1 3.47Å; A286-V326 HydrophobicContact CB-CG1 3.76Å; A286-L330 HydrophobicContact CB-CD1 3.99Å
287R94.6Very high94Very high28 Ų2823.9 Ų23.911%0.10614%0.136CC..Hα-helixtrans-71.9-22.1168.9-163.1-176.5-179.981.84.1112.4H283 C284 M317 Q320 N323 H1923 Y1925H283-R287 WeakPolarHBondContact O-CB 3.26Å; H283-R287 PolarHBondContact O-N 3.4Å; C284-R287 PolarHBondContact O-N 3.31Å; R287-M317 HydrophobicContact CB-CB 4.07Å; R287-M317 HydrophobicContact CB-SD 4.47Å; R287-M317 HydrophobicContact CG-SD 4.41Å; R287-M317 PolarHBondContact NH1-SD 3.24Å; R287-Q320 VanDerWaalsContact NH1-CD 3.34Å; R287-N323 PolarHBondContact O-ND2 3.07Å; R287-H1923 PolarHBondContact NH2-ND1 3.03Å; R287-Y1925 HydrophobicContact CG-CD2 4.47Å
288S93.2Very high94.3Very high18 Ų1823.4 Ų23.413%0.12613%0.132CC..Hα-helixtrans-109.30.1-160.3-49.50000115.6C284 A285 A286 H290 Y1925C284-S288 VanDerWaalsContact O-CB 3.29Å; C284-S288 WeakPolarHBondContact O-CB 3.4Å; C284-S288 PolarHBondContact O-N 2.95Å; C284-S288 PolarHBondContact O-OG 3.06Å; A285-S288 PolarHBondContact O-N 3.45Å; A285-S288 VanDerWaalsContact O-N 3.09Å; A286-S288 VanDerWaalsContact C-N 3.26Å; S288-H290 VanDerWaalsContact CB-CD2 3.45Å; S288-H290 WeakPolarHBondContact CB-CD2 3.48Å; S288-H290 WeakPolarHBondContact CB-NE2 3.42Å; S288-H290 PolarHBondContact O-CE1 2.85Å; S288-H290 PolarHBondContact O-NE2 2.87Å; S288-Y1925 WeakPolarHBondContact CB-OH 3.47Å; S288-Y1925 WeakPolarHBondContact OG-CE2 3.25Å; S288-Y1925 PolarHBondContact OG-OH 2.81Å
289G93Very high94.3Very high36 Ų3626 Ų2637%0.37116%0.159SC..THydrogen-bonded Turntrans93.7-3.7177.200000115.9A285 A291 N323 V326A285-G289 PolarHBondContact O-N 3.18Å; G289-A291 PolarHBondContact O-N 3.22Å; G289-N323 VanDerWaalsContact CA-CG 3.44Å; G289-N323 WeakPolarHBondContact CA-OD1 3.31Å; G289-N323 PolarHBondContact N-OD1 3.35Å; G289-V326 WeakPolarHBondContact O-CG2 3.26Å
290H94.7Very high94.2Very high53 Ų5326.1 Ų26.125%0.24517%0.166CC..  trans-84.574.3-168.2-53.1-48.8000112.9A253 K254 G256 A285 S288 E292 L293 A294A253-H290 PolarHBondContact O-CD2 3.18Å; K254-H290 PolarHBondContact O-CD2 2.89Å; K254-H290 PolarHBondContact O-NE2 2.57Å; G256-H290 PolarHBondContact N-CD2 2.99Å; G256-H290 PolarHBondContact N-NE2 3.25Å; A285-H290 HydrophobicContact CB-CB 4.44Å; A285-H290 PolarHBondContact O-N 2.89Å; S288-H290 VanDerWaalsContact CB-CD2 3.45Å; S288-H290 WeakPolarHBondContact CB-CD2 3.48Å; S288-H290 WeakPolarHBondContact CB-NE2 3.42Å; S288-H290 PolarHBondContact O-CE1 2.85Å; S288-H290 PolarHBondContact O-NE2 2.87Å; H290-E292 PolarHBondContact O-N 3.02Å; H290-L293 HydrophobicContact CB-CB 3.64Å; H290-L293 HydrophobicContact CB-CD2 4.27Å; H290-L293 CarbonylContact O-C 2.95Å; H290-L293 WeakPolarHBondContact O-CB 3.44Å; H290-L293 PolarHBondContact O-N 3.23Å; H290-L293 VanDerWaalsContact O-N 3.08Å; H290-A294 PolarHBondContact O-N 3.23Å
291A92.8Very high94Very high15 Ų1528.7 Ų28.712%0.12419%0.193CC..Hα-helixtrans-62.8-41.7-174.700000114.1G289 L293 A294 S295 E325 V326G289-A291 PolarHBondContact O-N 3.22Å; A291-L293 VanDerWaalsContact C-N 3.26Å; A291-L293 PolarHBondContact O-N 3.49Å; A291-A294 PolarHBondContact O-N 2.73Å; A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 PolarHBondContact O-OG 2.92Å; A291-S295 VanDerWaalsContact O-OG 3.11Å; A291-E325 HydrophobicContact CB-CB 4.17Å; A291-E325 HydrophobicContact CB-CG 3.8Å; A291-V326 HydrophobicContact CB-CB 4.48Å; A291-V326 HydrophobicContact CB-CG2 3.99Å
292E91.8Very high93.8Very high174 Ų17428.9 Ų28.981%0.81319%0.194SC*.Hα-helixtrans-60.9-38.4172.1-63.2-172.7167.300111.3H290 S295 L296H290-E292 PolarHBondContact O-N 3.02Å; E292-S295 WeakPolarHBondContact O-CB 3.47Å; E292-S295 PolarHBondContact O-N 2.89Å; E292-L296 WeakPolarHBondContact O-CB 3.45Å; E292-L296 PolarHBondContact O-N 3.13Å
293L93.8Very high93.5Very high6 Ų631.7 Ų31.73%0.03121%0.209CC..Hα-helixtrans-76.8-33.6-177.5-16051.1000112.5V261 H290 A291 S295 L296 L297V261-L293 HydrophobicContact CB-CD1 3.72Å; V261-L293 HydrophobicContact CG1-CD1 3.79Å; V261-L293 HydrophobicContact CG2-CD1 3.76Å; V261-L293 HydrophobicContact CG2-CD2 4.08Å; V261-L293 HydrophobicContact CG2-CG 4.29Å; H290-L293 HydrophobicContact CB-CB 3.64Å; H290-L293 HydrophobicContact CB-CD2 4.27Å; H290-L293 CarbonylContact O-C 2.95Å; H290-L293 WeakPolarHBondContact O-CB 3.44Å; H290-L293 PolarHBondContact O-N 3.23Å; H290-L293 VanDerWaalsContact O-N 3.08Å; A291-L293 VanDerWaalsContact C-N 3.26Å; A291-L293 PolarHBondContact O-N 3.49Å; L293-S295 VanDerWaalsContact C-N 3.35Å; L293-L296 HydrophobicContact CD1-CB 4.35Å; L293-L296 HydrophobicContact CD1-CD1 4.08Å; L293-L296 PolarHBondContact O-N 3.31Å; L293-L297 HydrophobicContact CG-CD1 4.5Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.17Å
294A93.9Very high93.2Very high0 Ų032.6 Ų32.60%022%0.215CC..Hα-helixtrans-61.7-44.1166.800000110.6L282 H290 A291 L296 L297 M298 V329L282-A294 HydrophobicContact CD1-CB 3.76Å; H290-A294 PolarHBondContact O-N 3.23Å; A291-A294 PolarHBondContact O-N 2.73Å; A294-L296 PolarHBondContact O-N 3.22Å; A294-L297 PolarHBondContact O-N 2.92Å; A294-M298 HydrophobicContact CB-CE 4.2Å; A294-M298 WeakPolarHBondContact O-CB 3.25Å; A294-M298 VanDerWaalsContact O-CE 3.26Å; A294-M298 WeakPolarHBondContact O-CE 3.19Å; A294-M298 VanDerWaalsContact O-CG 3.29Å; A294-M298 WeakPolarHBondContact O-CG 3.28Å; A294-M298 PolarHBondContact O-N 3.24Å; A294-V329 HydrophobicContact CB-CG1 4.07Å
295S93.1Very high93Very high32 Ų3233.5 Ų33.522%0.22422%0.222CC..Hα-helixtrans-61-41174.1-65.50000112.9A291 E292 L293 G299 V329A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 PolarHBondContact O-OG 2.92Å; A291-S295 VanDerWaalsContact O-OG 3.11Å; E292-S295 WeakPolarHBondContact O-CB 3.47Å; E292-S295 PolarHBondContact O-N 2.89Å; L293-S295 VanDerWaalsContact C-N 3.35Å; S295-G299 PolarHBondContact O-N 2.97Å; S295-V329 WeakPolarHBondContact OG-CG1 3.47Å; S295-V329 WeakPolarHBondContact OG-CG2 3.45Å
296L93.3Very high92.8Very high43 Ų4333.5 Ų33.523%0.22522%0.222CC..Hα-helixtrans-67-49.3178-165.7171.8000110.9V261 L265 E292 L293 A294 M298 G299 A300V261-L296 HydrophobicContact CG1-CD2 3.89Å; L265-L296 HydrophobicContact CD1-CD2 3.48Å; L265-L296 VanDerWaalsContact CD1-CD2 3.48Å; E292-L296 WeakPolarHBondContact O-CB 3.45Å; E292-L296 PolarHBondContact O-N 3.13Å; L293-L296 HydrophobicContact CD1-CB 4.35Å; L293-L296 HydrophobicContact CD1-CD1 4.08Å; L293-L296 PolarHBondContact O-N 3.31Å; A294-L296 PolarHBondContact O-N 3.22Å; L296-M298 PolarHBondContact O-N 3.24Å; L296-G299 CarbonylContact O-C 3.54Å; L296-G299 WeakPolarHBondContact O-CA 3.26Å; L296-G299 PolarHBondContact O-N 3.35Å; L296-G299 VanDerWaalsContact O-N 3.14Å; L296-A300 PolarHBondContact O-N 3.35Å
297L95Very high92.7Very high0 Ų035 Ų350%023%0.228CC..Hα-helixtrans-60-44.5177.2-74.6166.8000111.8L249 A253 V261 L265 V271 P281 L282 A285 L293 A294 G299 A300 G301 A302L249-L297 HydrophobicContact CD1-CD2 4.25Å; A253-L297 HydrophobicContact CB-CD1 4Å; V261-L297 HydrophobicContact CG1-CD2 3.94Å; V261-L297 HydrophobicContact CG1-CG 4.34Å; L265-L297 HydrophobicContact CD1-CD2 4.42Å; V271-L297 HydrophobicContact CG1-CD2 4.5Å; P281-L297 HydrophobicContact CB-CD1 4.16Å; P281-L297 HydrophobicContact CB-CD2 4.12Å; L282-L297 HydrophobicContact CD1-CB 4.34Å; A285-L297 HydrophobicContact CB-CD1 3.93Å; L293-L297 HydrophobicContact CG-CD1 4.5Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.17Å; A294-L297 PolarHBondContact O-N 2.92Å; L297-G299 VanDerWaalsContact C-N 3.34Å; L297-A300 CarbonylContact O-C 3.57Å; L297-A300 WeakPolarHBondContact O-CA 3.2Å; L297-A300 PolarHBondContact O-N 2.88Å; L297-A300 VanDerWaalsContact O-N 3.13Å; L297-G301 PolarHBondContact O-N 2.93Å; L297-A302 VanDerWaalsContact C-CB 3.49Å; L297-A302 HydrophobicContact CB-CB 3.95Å; L297-A302 WeakPolarHBondContact O-CB 3.45Å; L297-A302 PolarHBondContact O-N 3.15Å
298M93Very high92.6Very high18 Ų1833.9 Ų33.99%0.08923%0.225CC..Hα-helixtrans-68.6-32.6175-68.1-176.1-69.400112.4L282 A294 L296 A300 G301 P304 V329 L330 R333L282-M298 HydrophobicContact CD1-CG 3.93Å; L282-M298 HydrophobicContact CD1-SD 4.35Å; L282-M298 HydrophobicContact CD2-CG 3.6Å; L282-M298 HydrophobicContact CD2-SD 4.02Å; L282-M298 HydrophobicContact CG-CG 4.44Å; A294-M298 HydrophobicContact CB-CE 4.2Å; A294-M298 WeakPolarHBondContact O-CB 3.25Å; A294-M298 VanDerWaalsContact O-CE 3.26Å; A294-M298 WeakPolarHBondContact O-CE 3.19Å; A294-M298 VanDerWaalsContact O-CG 3.29Å; A294-M298 WeakPolarHBondContact O-CG 3.28Å; A294-M298 PolarHBondContact O-N 3.24Å; L296-M298 PolarHBondContact O-N 3.24Å; M298-A300 PolarHBondContact O-N 2.96Å; M298-G301 PolarHBondContact O-N 3.12Å; M298-P304 HydrophobicContact SD-CB 3.76Å; M298-P304 HydrophobicContact SD-CG 4.26Å; M298-V329 HydrophobicContact CE-CG1 3.35Å; M298-L330 HydrophobicContact CE-CD2 3.92Å; M298-L330 HydrophobicContact SD-CD2 3.76Å; M298-R333 HydrophobicContact CB-CG 4.3Å; M298-R333 HydrophobicContact CE-CB 3.96Å; M298-R333 HydrophobicContact CE-CG 3.55Å; M298-R333 HydrophobicContact SD-CB 3.47Å; M298-R333 WeakPolarHBondContact SD-CB 3.21Å; M298-R333 HydrophobicContact SD-CG 3.71Å
299G91.4Very high92.3Very high62 Ų6240.4 Ų40.464%0.63925%0.246SC*.Hα-helixtrans-63.8-27169.600000113.6S295 L296 L297 G301S295-G299 PolarHBondContact O-N 2.97Å; L296-G299 CarbonylContact O-C 3.54Å; L296-G299 WeakPolarHBondContact O-CA 3.26Å; L296-G299 PolarHBondContact O-N 3.35Å; L296-G299 VanDerWaalsContact O-N 3.14Å; L297-G299 VanDerWaalsContact C-N 3.34Å; G299-G301 VanDerWaalsContact C-N 3.35Å
300A91.7Very high91.9Very high43 Ų4343.8 Ų43.836%0.35526%0.256SS..THydrogen-bonded Turntrans-87.72170.600000113.8L265 V271 L296 L297 M298L265-A300 HydrophobicContact CD1-CB 3.8Å; L265-A300 HydrophobicContact CD2-CB 4.12Å; V271-A300 HydrophobicContact CG1-CB 4.25Å; V271-A300 HydrophobicContact CG2-CB 4.45Å; L296-A300 PolarHBondContact O-N 3.35Å; L297-A300 CarbonylContact O-C 3.57Å; L297-A300 WeakPolarHBondContact O-CA 3.2Å; L297-A300 PolarHBondContact O-N 2.88Å; L297-A300 VanDerWaalsContact O-N 3.13Å; M298-A300 PolarHBondContact O-N 2.96Å
301G91.4Very high91.7Very high54 Ų5441.5 Ų41.556%0.55725%0.247SC*.THydrogen-bonded Turntrans98.911.9175.700000116.4L297 M298 G299 N303L297-G301 PolarHBondContact O-N 2.93Å; M298-G301 PolarHBondContact O-N 3.12Å; G299-G301 VanDerWaalsContact C-N 3.35Å; G301-N303 PolarHBondContact O-N 3.08Å
302A93.4Very high91.7Very high4 Ų442.3 Ų42.33%0.03325%0.249CC..  trans-61.2131.2173.500000111.3V271 L282 L297 P304V271-A302 HydrophobicContact CG1-CB 3.69Å; L282-A302 HydrophobicContact CB-CB 4.01Å; L282-A302 HydrophobicContact CD2-CB 3.93Å; L282-A302 HydrophobicContact CG-CB 4.48Å; L297-A302 VanDerWaalsContact C-CB 3.49Å; L297-A302 HydrophobicContact CB-CB 3.95Å; L297-A302 WeakPolarHBondContact O-CB 3.45Å; L297-A302 PolarHBondContact O-N 3.15Å; A302-P304 VanDerWaalsContact O-CD 3.26Å; A302-P304 WeakPolarHBondContact O-CD 3.14Å
303N90.5Very high91.9Very high58 Ų5834 Ų3431%0.3121%0.21SC..  trans-79.2113.8-175.6179.70.1000112.4D272 G301 S305 A306D272-N303 VanDerWaalsContact OD2-CB 3.31Å; D272-N303 WeakPolarHBondContact OD2-CB 3.11Å; D272-N303 PolarHBondContact OD2-N 3.38Å; G301-N303 PolarHBondContact O-N 3.08Å; N303-S305 PolarHBondContact ND2-OG 3.11Å; N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 WeakPolarHBondContact OD1-CA 3.29Å; N303-S305 WeakPolarHBondContact OD1-CB 3.47Å; N303-S305 PolarHBondContact OD1-N 3.43Å; N303-S305 PolarHBondContact OD1-OG 3.44Å; N303-A306 HydrophobicContact CB-CB 4.19Å; N303-A306 VanDerWaalsContact O-CB 3.25Å; N303-A306 WeakPolarHBondContact O-CB 3.19Å; N303-A306 PolarHBondContact O-N 3.22Å; N303-A306 VanDerWaalsContact O-N 3.13Å
304P90.5Very high92Very high21 Ų2133.7 Ų33.714%0.13621%0.209CC..THydrogen-bonded Turntrans-69.3-15.1179.128.4-33.8000114.4L282 M298 A302 P314 L330 R333 A335L282-P304 HydrophobicContact CD2-CB 4.33Å; M298-P304 HydrophobicContact SD-CB 3.76Å; M298-P304 HydrophobicContact SD-CG 4.26Å; A302-P304 VanDerWaalsContact O-CD 3.26Å; A302-P304 WeakPolarHBondContact O-CD 3.14Å; P304-P314 WeakPolarHBondContact O-CD 3.43Å; P304-L330 HydrophobicContact CB-CD2 4.32Å; P304-R333 WeakPolarHBondContact CG-O 3.43Å; P304-A335 HydrophobicContact CB-CB 4.15Å
305S90.5Very high92.1Very high39 Ų3933.7 Ų33.727%0.27321%0.209SC..THydrogen-bonded Turntrans-96.41.3174.371.70000114N303N303-S305 PolarHBondContact ND2-OG 3.11Å; N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 WeakPolarHBondContact OD1-CA 3.29Å; N303-S305 WeakPolarHBondContact OD1-CB 3.47Å; N303-S305 PolarHBondContact OD1-N 3.43Å; N303-S305 PolarHBondContact OD1-OG 3.44Å
306A92Very high92.3Very high0 Ų032.2 Ų32.20%020%0.198CC..  trans-55.1143.3178.100000111.3T280 H283 N303 T313 P314T280-A306 HydrophobicContact CG2-CB 4.32Å; H283-A306 PolarHBondContact CE1-O 3.21Å; H283-A306 PolarHBondContact NE2-O 2.83Å; N303-A306 HydrophobicContact CB-CB 4.19Å; N303-A306 VanDerWaalsContact O-CB 3.25Å; N303-A306 WeakPolarHBondContact O-CB 3.19Å; N303-A306 PolarHBondContact O-N 3.22Å; N303-A306 VanDerWaalsContact O-N 3.13Å; A306-T313 WeakPolarHBondContact O-CA 3.38Å; A306-P314 VanDerWaalsContact O-CD 3.23Å; A306-P314 WeakPolarHBondContact O-CD 3.29Å
307K93.1Very high92.4Very high31 Ų3130.5 Ų30.514%0.13519%0.189CC..  trans-119134.1-177.4-68.2-171.5179.6-165.10113.4G311 L312 T313 D339 R340K307-G311 WeakPolarHBondContact CD-O 3.44Å; K307-L312 WeakPolarHBondContact CA-O 3.46Å; K307-T313 HydrophobicContact CD-CG2 4.28Å; K307-T313 HydrophobicContact CG-CG2 3.69Å; K307-D339 WeakPolarHBondContact CE-OD1 2.94Å; K307-D339 IonicContact NZ-OD1 3.49Å; K307-D339 PolarHBondContact NZ-OD1 2.94Å; K307-R340 PolarHBondContact NZ-O 2.88Å
308T92.2Very high92.5Very high5 Ų530.5 Ų30.53%0.03119%0.189CC..  trans-63.1171.4166.759.20000112.9L279 H283 N310 G311 L312 M317 K1383L279-T308 HydrophobicContact CD2-CG2 3.64Å; L279-T308 HydrophobicContact CG-CG2 4.24Å; H283-T308 VanDerWaalsContact CD2-CG2 3.46Å; H283-T308 WeakPolarHBondContact CD2-CG2 3.26Å; H283-T308 WeakPolarHBondContact NE2-CG2 3.42Å; T308-N310 PolarHBondContact O-N 2.93Å; T308-N310 PolarHBondContact OG1-N 3.45Å; T308-G311 PolarHBondContact O-N 2.94Å; T308-L312 HydrophobicContact CG2-CB 4.38Å; T308-L312 PolarHBondContact N-O 3.35Å; T308-L312 WeakPolarHBondContact OG1-CB 3.5Å; T308-L312 PolarHBondContact OG1-N 3.12Å; T308-L312 VanDerWaalsContact OG1-N 3.12Å; T308-L312 PolarHBondContact OG1-O 2.99Å; T308-M317 HydrophobicContact CG2-CE 3.77Å; T308-K1383 WeakPolarHBondContact O-CD 3.24Å
309R86.8Confident92.6Very high154 Ų15429.7 Ų29.758%0.58119%0.185SC*.THydrogen-bonded Turntrans-55.6-19.3173.5-78.8-166.6176.4178.93.6115R276 D277 K1383R276-R309 WeakPolarHBondContact O-CD 3.19Å; R276-R309 PolarHBondContact O-NE 3.04Å; R276-R309 PolarHBondContact O-NH1 3.39Å; R276-R309 PolarHBondContact O-NH2 3.23Å; D277-R309 WeakPolarHBondContact O-CB 3.41Å; D277-R309 PolarHBondContact O-N 3.45Å; R309-K1383 WeakPolarHBondContact O-CE 3.44Å
310N86.1Confident92.7Very high107 Ų10728.8 Ų28.857%0.57216%0.164SC*.THydrogen-bonded Turntrans-103.25.6177-63.14.4000113.3T308 L312 G342T308-N310 PolarHBondContact O-N 2.93Å; T308-N310 PolarHBondContact OG1-N 3.45Å; N310-L312 VanDerWaalsContact C-N 3.3Å; N310-L312 HydrophobicContact CB-CD1 4.38Å; N310-L312 PolarHBondContact O-N 3.5Å; N310-G342 PolarHBondContact O-N 3.16Å
311G88.5Confident92.4Very high5 Ų528.2 Ų28.25%0.05216%0.163CC..SBendtrans82.7-1.9-179.400000115.2K307 T308K307-G311 WeakPolarHBondContact CD-O 3.44Å; T308-G311 PolarHBondContact O-N 2.94Å
312L94.3Very high92.4Very high32 Ų3228.4 Ų28.417%0.16815%0.151CC..  trans-63.5133.3172.2-56.3156.3000108.9H283 K307 T308 N310 H316 M317 T341H283-L312 PolarHBondContact NE2-O 3.13Å; K307-L312 WeakPolarHBondContact CA-O 3.46Å; T308-L312 HydrophobicContact CG2-CB 4.38Å; T308-L312 PolarHBondContact N-O 3.35Å; T308-L312 WeakPolarHBondContact OG1-CB 3.5Å; T308-L312 PolarHBondContact OG1-N 3.12Å; T308-L312 VanDerWaalsContact OG1-N 3.12Å; T308-L312 PolarHBondContact OG1-O 2.99Å; N310-L312 VanDerWaalsContact C-N 3.3Å; N310-L312 HydrophobicContact CB-CD1 4.38Å; N310-L312 PolarHBondContact O-N 3.5Å; L312-H316 HydrophobicContact CB-CB 3.86Å; L312-H316 HydrophobicContact CD2-CB 3.66Å; L312-H316 HydrophobicContact CG-CB 4.4Å; L312-M317 HydrophobicContact CB-CE 3.95Å; L312-M317 HydrophobicContact CD1-CE 3.7Å; L312-M317 HydrophobicContact CG-CE 4.45Å; L312-T341 HydrophobicContact CD2-CG2 3.61Å; L312-T341 HydrophobicContact CG-CG2 4.19Å
313T95.7Very high92.5Very high0 Ų029.1 Ų29.10%015%0.154CC..  trans-92.1172.4170.356.20000111.3A306 K307 L315 H316 M317 D339A306-T313 WeakPolarHBondContact O-CA 3.38Å; K307-T313 HydrophobicContact CD-CG2 4.28Å; K307-T313 HydrophobicContact CG-CG2 3.69Å; T313-L315 PolarHBondContact O-N 2.93Å; T313-L315 VanDerWaalsContact O-N 3.11Å; T313-L315 VanDerWaalsContact OG1-CB 3.24Å; T313-L315 WeakPolarHBondContact OG1-CB 3.3Å; T313-L315 PolarHBondContact OG1-N 3.42Å; T313-H316 PolarHBondContact N-ND1 2.88Å; T313-H316 PolarHBondContact O-N 3.33Å; T313-H316 PolarHBondContact OG1-N 3.15Å; T313-H316 PolarHBondContact OG1-ND1 3.3Å; T313-M317 PolarHBondContact O-N 2.77Å; T313-D339 HydrophobicContact CG2-CB 4.32Å
314P96Very high92.7Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-50.3-32164.8-28.836.5000112.6L282 H283 A286 P304 A306 M317 A318 L330L282-P314 HydrophobicContact CB-CG 4.47Å; L282-P314 HydrophobicContact CD2-CG 4.08Å; L282-P314 HydrophobicContact CG-CB 4.14Å; L282-P314 HydrophobicContact CG-CG 3.97Å; H283-P314 WeakPolarHBondContact NE2-CD 3.3Å; A286-P314 HydrophobicContact CB-CB 3.77Å; A286-P314 WeakPolarHBondContact CB-O 3.26Å; P304-P314 WeakPolarHBondContact O-CD 3.43Å; A306-P314 VanDerWaalsContact O-CD 3.23Å; A306-P314 WeakPolarHBondContact O-CD 3.29Å; P314-M317 WeakPolarHBondContact O-CB 3.46Å; P314-M317 PolarHBondContact O-N 3.28Å; P314-A318 PolarHBondContact O-N 3.1Å; P314-L330 HydrophobicContact CB-CD1 3.68Å; P314-L330 HydrophobicContact CB-CD2 3.99Å; P314-L330 WeakPolarHBondContact O-CD1 3.09Å
315L96.5Very high92.9Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-64.1-45.3176.5-147.564.4000112.7T313 M317 A318 A319 A327 L330 I331 A335 S336 P347 E1723T313-L315 PolarHBondContact O-N 2.93Å; T313-L315 VanDerWaalsContact O-N 3.11Å; T313-L315 VanDerWaalsContact OG1-CB 3.24Å; T313-L315 WeakPolarHBondContact OG1-CB 3.3Å; T313-L315 PolarHBondContact OG1-N 3.42Å; L315-M317 VanDerWaalsContact C-N 3.27Å; L315-M317 PolarHBondContact O-N 2.83Å; L315-A318 PolarHBondContact O-N 3.42Å; L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 3.39Å; L315-A327 HydrophobicContact CD1-CB 4.09Å; L315-L330 HydrophobicContact CB-CD1 4.46Å; L315-L330 HydrophobicContact CD1-CB 3.57Å; L315-L330 HydrophobicContact CD1-CD1 3.78Å; L315-L330 HydrophobicContact CD1-CG 4.35Å; L315-I331 HydrophobicContact CD1-CD1 3.63Å; L315-I331 HydrophobicContact CD1-CG1 3.92Å; L315-I331 HydrophobicContact CD2-CD1 3.87Å; L315-I331 HydrophobicContact CD2-CG1 4.09Å; L315-I331 HydrophobicContact CG-CD1 4.2Å; L315-A335 HydrophobicContact CB-CB 4.36Å; L315-A335 HydrophobicContact CD1-CB 3.74Å; L315-A335 HydrophobicContact CD2-CB 3.92Å; L315-A335 HydrophobicContact CG-CB 4.25Å; L315-S336 VanDerWaalsContact CD2-C 3.49Å; L315-S336 WeakPolarHBondContact CD2-O 3.49Å; L315-P347 HydrophobicContact CB-CG 4.46Å; L315-P347 HydrophobicContact CD2-CG 4Å; L315-P347 HydrophobicContact CG-CG 4.27Å; L315-E1723 HydrophobicContact CD1-CG 3.81Å; L315-E1723 HydrophobicContact CD2-CG 4.24Å; L315-E1723 VanDerWaalsContact CD2-OE1 3.27Å; L315-E1723 WeakPolarHBondContact CD2-OE1 3.24Å; L315-E1723 HydrophobicContact CG-CG 3.83Å; L315-E1723 WeakPolarHBondContact CG-OE1 3.32Å
316H96.5Very high93.1Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-67.3-27.4173.1-6980.3000112.6L312 T313 A319 Q320 D339 T341 L345L312-H316 HydrophobicContact CB-CB 3.86Å; L312-H316 HydrophobicContact CD2-CB 3.66Å; L312-H316 HydrophobicContact CG-CB 4.4Å; T313-H316 PolarHBondContact N-ND1 2.88Å; T313-H316 PolarHBondContact O-N 3.33Å; T313-H316 PolarHBondContact OG1-N 3.15Å; T313-H316 PolarHBondContact OG1-ND1 3.3Å; H316-A319 WeakPolarHBondContact O-CB 3.3Å; H316-A319 PolarHBondContact O-N 2.82Å; H316-Q320 PolarHBondContact O-N 2.83Å; H316-D339 PolarHBondContact CE1-O 2.83Å; H316-T341 VanDerWaalsContact CD2-CG2 3.47Å; H316-T341 WeakPolarHBondContact CD2-CG2 3.36Å; H316-T341 WeakPolarHBondContact NE2-CG2 3.45Å; H316-L345 PolarHBondContact NE2-O 3.02Å
317M95.4Very high93.3Very high8 Ų831.7 Ų31.74%0.03916%0.158CC..Hα-helixtrans-72.3-43.8174.9-72-67.1161.800111.9L279 H283 R287 T308 L312 T313 P314 L315 A319 Q320 G321L279-M317 HydrophobicContact CD2-CE 3.59Å; L279-M317 HydrophobicContact CD2-SD 4.24Å; H283-M317 HydrophobicContact CB-CG 4.28Å; R287-M317 HydrophobicContact CB-CB 4.07Å; R287-M317 HydrophobicContact CB-SD 4.47Å; R287-M317 HydrophobicContact CG-SD 4.41Å; R287-M317 PolarHBondContact NH1-SD 3.24Å; T308-M317 HydrophobicContact CG2-CE 3.77Å; L312-M317 HydrophobicContact CB-CE 3.95Å; L312-M317 HydrophobicContact CD1-CE 3.7Å; L312-M317 HydrophobicContact CG-CE 4.45Å; T313-M317 PolarHBondContact O-N 2.77Å; P314-M317 WeakPolarHBondContact O-CB 3.46Å; P314-M317 PolarHBondContact O-N 3.28Å; L315-M317 VanDerWaalsContact C-N 3.27Å; L315-M317 PolarHBondContact O-N 2.83Å; M317-A319 VanDerWaalsContact C-N 3.3Å; M317-Q320 PolarHBondContact O-N 3.43Å; M317-Q320 VanDerWaalsContact O-N 3.11Å; M317-G321 PolarHBondContact O-N 2.84Å
318A96.1Very high93.4Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-60.8-44169.300000110.1A286 P314 L315 Q320 G321 N323 V326 A327 G1721A286-A318 VanDerWaalsContact O-CA 3.26Å; A286-A318 WeakPolarHBondContact O-CA 3.45Å; A286-A318 PolarHBondContact O-N 3.48Å; P314-A318 PolarHBondContact O-N 3.1Å; L315-A318 PolarHBondContact O-N 3.42Å; A318-Q320 PolarHBondContact O-N 2.93Å; A318-G321 PolarHBondContact O-N 3.48Å; A318-N323 HydrophobicContact CB-CB 4.32Å; A318-V326 HydrophobicContact CB-CG1 3.91Å; A318-A327 HydrophobicContact CB-CB 3.35Å; A318-G1721 CarbonylContact C-O 3.08Å; A318-G1721 CarbonylContact O-C 3.31Å; A318-G1721 VanDerWaalsContact O-CA 3.29Å; A318-G1721 WeakPolarHBondContact O-CA 3.38Å; A318-G1721 PolarHBondContact O-N 3.04Å
319A95.5Very high93.4Very high0 Ų034.5 Ų34.50%017%0.169CC..THydrogen-bonded Turntrans-50.9-11.817300000115.2L315 H316 M317 P347 V350 N356 K1720 G1721 V1722L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 3.39Å; H316-A319 WeakPolarHBondContact O-CB 3.3Å; H316-A319 PolarHBondContact O-N 2.82Å; M317-A319 VanDerWaalsContact C-N 3.3Å; A319-P347 HydrophobicContact CB-CB 4.03Å; A319-V350 HydrophobicContact CB-CB 4.06Å; A319-V350 HydrophobicContact CB-CG1 3.89Å; A319-N356 PolarHBondContact O-ND2 3.29Å; A319-K1720 CarbonylContact O-C 3.55Å; A319-G1721 PolarHBondContact O-N 3.49Å; A319-V1722 HydrophobicContact CB-CG2 3.32Å
320Q93.2Very high93.8Very high43 Ų4327.2 Ų27.220%0.20114%0.141CC..THydrogen-bonded Turntrans-120.12.7-179.5-149.9-165.2-16.600115.9R287 H316 M317 A318 V350 K1720 H1923R287-Q320 VanDerWaalsContact NH1-CD 3.34Å; H316-Q320 PolarHBondContact O-N 2.83Å; M317-Q320 PolarHBondContact O-N 3.43Å; M317-Q320 VanDerWaalsContact O-N 3.11Å; A318-Q320 PolarHBondContact O-N 2.93Å; Q320-V350 HydrophobicContact CB-CG1 4.23Å; Q320-V350 HydrophobicContact CG-CG1 4.42Å; Q320-K1720 CarbonylContact C-O 3.59Å; Q320-K1720 VanDerWaalsContact CA-O 3.25Å; Q320-K1720 WeakPolarHBondContact CA-O 3.45Å; Q320-H1923 PolarHBondContact NE2-NE2 3.32Å; Q320-H1923 VanDerWaalsContact NE2-NE2 3.19Å
321G86.8Confident94.2Very high32 Ų3222.3 Ų22.333%0.3312%0.115SC..THydrogen-bonded Turntrans-128.810.117600000121.6M317 A318 N323 K1720M317-G321 PolarHBondContact O-N 2.84Å; A318-G321 PolarHBondContact O-N 3.48Å; G321-N323 VanDerWaalsContact C-N 3.34Å; G321-N323 PolarHBondContact O-N 2.78Å; G321-N323 PolarHBondContact O-OD1 3.37Å; G321-N323 VanDerWaalsContact O-OD1 3.1Å; G321-K1720 CarbonylContact C-O 3.16Å; G321-K1720 VanDerWaalsContact CA-O 3.3Å; G321-K1720 WeakPolarHBondContact CA-O 3.22Å; G321-K1720 PolarHBondContact N-O 3.26Å
322N91.7Very high94.3Very high58 Ų5826 Ų2631%0.3113%0.133SC..THydrogen-bonded Turntrans54.729-167.4-141.145.8000119.3E324 K1720 G1721N322-E324 PolarHBondContact ND2-OE1 2.86Å; N322-E324 PolarHBondContact O-N 3.49Å; N322-E324 PolarHBondContact OD1-OE1 3.36Å; N322-K1720 HydrophobicContact CB-CB 3.58Å; N322-K1720 PolarHBondContact N-O 3.49Å; N322-K1720 WeakPolarHBondContact OD1-CB 3.41Å; N322-G1721 CarbonylContact C-O 3.24Å; N322-G1721 WeakPolarHBondContact CA-O 3.45Å; N322-G1721 PolarHBondContact N-O 2.86Å
323N93.8Very high94Very high18 Ų1830.3 Ų30.310%0.09615%0.147CC..  trans-8066.5173.7-40.6-48000110.5A286 R287 G289 A318 G321 V326 A327 G1721A286-N323 PolarHBondContact O-ND2 3.09Å; R287-N323 PolarHBondContact O-ND2 3.07Å; G289-N323 VanDerWaalsContact CA-CG 3.44Å; G289-N323 WeakPolarHBondContact CA-OD1 3.31Å; G289-N323 PolarHBondContact N-OD1 3.35Å; A318-N323 HydrophobicContact CB-CB 4.32Å; G321-N323 VanDerWaalsContact C-N 3.34Å; G321-N323 PolarHBondContact O-N 2.78Å; G321-N323 PolarHBondContact O-OD1 3.37Å; G321-N323 VanDerWaalsContact O-OD1 3.1Å; N323-V326 HydrophobicContact CB-CB 3.54Å; N323-V326 HydrophobicContact CB-CG1 4.06Å; N323-V326 HydrophobicContact CB-CG2 3.7Å; N323-V326 WeakPolarHBondContact O-CB 3.3Å; N323-V326 PolarHBondContact O-N 3.18Å; N323-A327 PolarHBondContact O-N 3.11Å; N323-G1721 CarbonylContact C-O 3.46Å; N323-G1721 WeakPolarHBondContact CA-O 3.3Å; N323-G1721 PolarHBondContact N-O 3.1Å
324E95.2Very high93.6Very high58 Ų5832.3 Ų32.327%0.27117%0.167SC..Hα-helixtrans-51.4-60.7174.2-69.7170.2-144.300109.8N322 V326 A327 R328 V359 I362N322-E324 PolarHBondContact ND2-OE1 2.86Å; N322-E324 PolarHBondContact O-N 3.49Å; N322-E324 PolarHBondContact OD1-OE1 3.36Å; E324-V326 PolarHBondContact O-N 3.03Å; E324-A327 PolarHBondContact O-N 3.38Å; E324-A327 VanDerWaalsContact O-N 3.14Å; E324-R328 WeakPolarHBondContact O-CG 3.48Å; E324-R328 PolarHBondContact O-N 2.89Å; E324-V359 HydrophobicContact CG-CG2 3.72Å; E324-I362 HydrophobicContact CB-CD1 4.4Å; E324-I362 HydrophobicContact CG-CD1 4.25Å
325E94.5Very high93.4Very high113 Ų11332.6 Ų32.653%0.52817%0.169SC..Hα-helixtrans-62.6-35.7-178.2-17055.4-142.500114.2A291 A327 R328 V329A291-E325 HydrophobicContact CB-CB 4.17Å; A291-E325 HydrophobicContact CB-CG 3.8Å; E325-A327 PolarHBondContact O-N 2.94Å; E325-R328 WeakPolarHBondContact O-CB 3.47Å; E325-R328 PolarHBondContact O-N 3.24Å; E325-R328 WeakPolarHBondContact OE2-CD 3.46Å; E325-V329 WeakPolarHBondContact O-CB 3.3Å; E325-V329 PolarHBondContact O-N 3.44Å
326V95.1Very high93.2Very high1 Ų135.1 Ų35.11%0.00619%0.187CC..Hα-helixtrans-54-46.6174.5151.20000111.3A286 G289 A291 A318 N323 E324 V329 L330A286-V326 VanDerWaalsContact CA-CG1 3.47Å; A286-V326 HydrophobicContact CB-CG1 3.76Å; G289-V326 WeakPolarHBondContact O-CG2 3.26Å; A291-V326 HydrophobicContact CB-CB 4.48Å; A291-V326 HydrophobicContact CB-CG2 3.99Å; A318-V326 HydrophobicContact CB-CG1 3.91Å; N323-V326 HydrophobicContact CB-CB 3.54Å; N323-V326 HydrophobicContact CB-CG1 4.06Å; N323-V326 HydrophobicContact CB-CG2 3.7Å; N323-V326 WeakPolarHBondContact O-CB 3.3Å; N323-V326 PolarHBondContact O-N 3.18Å; E324-V326 PolarHBondContact O-N 3.03Å; V326-V329 CarbonylContact O-C 3.48Å; V326-V329 WeakPolarHBondContact O-CA 3.44Å; V326-V329 WeakPolarHBondContact O-CB 3.06Å; V326-V329 PolarHBondContact O-N 3.04Å; V326-L330 HydrophobicContact CG1-CD1 4.33Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 PolarHBondContact O-N 3.41Å
327A95.3Very high93Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-94.6-16-170.900000111.3L315 A318 N323 E324 E325 V329 L330 I331 E1723 N1724L315-A327 HydrophobicContact CD1-CB 4.09Å; A318-A327 HydrophobicContact CB-CB 3.35Å; N323-A327 PolarHBondContact O-N 3.11Å; E324-A327 PolarHBondContact O-N 3.38Å; E324-A327 VanDerWaalsContact O-N 3.14Å; E325-A327 PolarHBondContact O-N 2.94Å; A327-V329 PolarHBondContact O-N 3.37Å; A327-L330 HydrophobicContact CB-CB 4.3Å; A327-L330 HydrophobicContact CB-CD1 3.96Å; A327-L330 HydrophobicContact CB-CG 4.34Å; A327-L330 PolarHBondContact O-N 3.34Å; A327-I331 PolarHBondContact O-N 3.37Å; A327-I331 VanDerWaalsContact O-N 3.16Å; A327-E1723 CarbonylContact O-C 3.53Å; A327-E1723 WeakPolarHBondContact O-CA 3.31Å; A327-N1724 PolarHBondContact O-N 3.34Å
328R95.3Very high92.8Very high86 Ų8638.5 Ų38.533%0.32522%0.215SC..Hα-helixtrans-49.5-53.6153.3-69.5-164.4-177-71.62.6109.6E324 E325 L330 L332 I362 E1723 N1724 I1725E324-R328 WeakPolarHBondContact O-CG 3.48Å; E324-R328 PolarHBondContact O-N 2.89Å; E325-R328 WeakPolarHBondContact O-CB 3.47Å; E325-R328 PolarHBondContact O-N 3.24Å; E325-R328 WeakPolarHBondContact OE2-CD 3.46Å; R328-L330 PolarHBondContact O-N 3.42Å; R328-L332 WeakPolarHBondContact O-CB 3.34Å; R328-L332 PolarHBondContact O-N 3.06Å; R328-L332 VanDerWaalsContact O-N 3.1Å; R328-I362 VanDerWaalsContact NH2-CD1 3.27Å; R328-E1723 VanDerWaalsContact CA-O 3.23Å; R328-E1723 WeakPolarHBondContact CA-O 3.38Å; R328-E1723 WeakPolarHBondContact CG-O 3.46Å; R328-E1723 PolarHBondContact N-O 3.26Å; R328-E1723 VanDerWaalsContact N-O 3.12Å; R328-N1724 VanDerWaalsContact CA-C 3.43Å; R328-N1724 WeakPolarHBondContact CA-O 3.32Å; R328-N1724 VanDerWaalsContact CB-O 3.23Å; R328-N1724 WeakPolarHBondContact CB-O 3.23Å; R328-N1724 WeakPolarHBondContact CG-O 3.34Å; R328-N1724 CarbonylContact O-C 3.57Å; R328-N1724 VanDerWaalsContact O-C 3.31Å; R328-I1725 PolarHBondContact O-N 3.03Å; R328-I1725 VanDerWaalsContact O-N 3.11Å
329V93.4Very high92.6Very high10 Ų1039.8 Ų39.86%0.06122%0.221CC..Hα-helixtrans-58.7-35.6172.2152.40000113.7A294 S295 M298 E325 V326 A327 L332 R333A294-V329 HydrophobicContact CB-CG1 4.07Å; S295-V329 WeakPolarHBondContact OG-CG1 3.47Å; S295-V329 WeakPolarHBondContact OG-CG2 3.45Å; M298-V329 HydrophobicContact CE-CG1 3.35Å; E325-V329 WeakPolarHBondContact O-CB 3.3Å; E325-V329 PolarHBondContact O-N 3.44Å; V326-V329 CarbonylContact O-C 3.48Å; V326-V329 WeakPolarHBondContact O-CA 3.44Å; V326-V329 WeakPolarHBondContact O-CB 3.06Å; V326-V329 PolarHBondContact O-N 3.04Å; A327-V329 PolarHBondContact O-N 3.37Å; V329-L332 WeakPolarHBondContact O-CB 3.17Å; V329-R333 WeakPolarHBondContact O-CG 3.31Å; V329-R333 PolarHBondContact O-N 3.15Å
330L95.2Very high92.4Very high0 Ų042.3 Ų42.30%023%0.231CC..Hα-helixtrans-69.9-44.6-178.9-71.6177.5000114.7L282 A286 M298 P304 P314 L315 V326 A327 R328 R333 G334 A335L282-L330 HydrophobicContact CD1-CD2 4.09Å; L282-L330 HydrophobicContact CD2-CD2 4.24Å; L282-L330 HydrophobicContact CG-CD2 4.3Å; A286-L330 HydrophobicContact CB-CD1 3.99Å; M298-L330 HydrophobicContact CE-CD2 3.92Å; M298-L330 HydrophobicContact SD-CD2 3.76Å; P304-L330 HydrophobicContact CB-CD2 4.32Å; P314-L330 HydrophobicContact CB-CD1 3.68Å; P314-L330 HydrophobicContact CB-CD2 3.99Å; P314-L330 WeakPolarHBondContact O-CD1 3.09Å; L315-L330 HydrophobicContact CB-CD1 4.46Å; L315-L330 HydrophobicContact CD1-CB 3.57Å; L315-L330 HydrophobicContact CD1-CD1 3.78Å; L315-L330 HydrophobicContact CD1-CG 4.35Å; V326-L330 HydrophobicContact CG1-CD1 4.33Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 PolarHBondContact O-N 3.41Å; A327-L330 HydrophobicContact CB-CB 4.3Å; A327-L330 HydrophobicContact CB-CD1 3.96Å; A327-L330 HydrophobicContact CB-CG 4.34Å; A327-L330 PolarHBondContact O-N 3.34Å; R328-L330 PolarHBondContact O-N 3.42Å; L330-R333 CarbonylContact O-C 3.42Å; L330-R333 PolarHBondContact O-N 3.19Å; L330-R333 VanDerWaalsContact O-N 3.15Å; L330-G334 PolarHBondContact O-N 3.36Å; L330-G334 VanDerWaalsContact O-N 3.17Å; L330-A335 HydrophobicContact CB-CB 4.11Å; L330-A335 PolarHBondContact O-N 2.92Å
331I93.9Very high92.3Very high4 Ų440.6 Ų40.62%0.02122%0.223CC..Hα-helixtrans-78.9-25175.8-71.2133.4000111.5L315 A327 R333 G334 A335 V337 E1723 N1724 L1726L315-I331 HydrophobicContact CD1-CD1 3.63Å; L315-I331 HydrophobicContact CD1-CG1 3.92Å; L315-I331 HydrophobicContact CD2-CD1 3.87Å; L315-I331 HydrophobicContact CD2-CG1 4.09Å; L315-I331 HydrophobicContact CG-CD1 4.2Å; A327-I331 PolarHBondContact O-N 3.37Å; A327-I331 VanDerWaalsContact O-N 3.16Å; I331-R333 PolarHBondContact O-N 2.87Å; I331-R333 VanDerWaalsContact O-N 3.16Å; I331-G334 PolarHBondContact O-N 2.88Å; I331-A335 HydrophobicContact CG1-CB 4.12Å; I331-A335 WeakPolarHBondContact CG1-O 3.32Å; I331-V337 HydrophobicContact CD1-CG1 3.66Å; I331-V337 HydrophobicContact CG1-CG1 4.18Å; I331-E1723 HydrophobicContact CD1-CB 3.31Å; I331-E1723 VanDerWaalsContact CD1-CD 3.44Å; I331-E1723 HydrophobicContact CD1-CG 3.28Å; I331-N1724 WeakPolarHBondContact CD1-OD1 3.49Å; I331-N1724 WeakPolarHBondContact CG2-OD1 3.34Å; I331-L1726 VanDerWaalsContact C-N 3.3Å; I331-L1726 HydrophobicContact CG2-CD2 3.84Å; I331-L1726 HydrophobicContact CG2-CG 4.31Å; I331-L1726 WeakPolarHBondContact O-CA 3.36Å; I331-L1726 PolarHBondContact O-N 3.26Å
332L91.6Very high92.1Very high83 Ų8340.5 Ų40.544%0.43522%0.222SC..Hα-helixtrans-55.9-24.7162.3177.154.7000112.6R328 V329 I1725 L1726R328-L332 WeakPolarHBondContact O-CB 3.34Å; R328-L332 PolarHBondContact O-N 3.06Å; R328-L332 VanDerWaalsContact O-N 3.1Å; V329-L332 WeakPolarHBondContact O-CB 3.17Å; L332-I1725 WeakPolarHBondContact CA-O 3.3Å; L332-I1725 WeakPolarHBondContact CB-O 3.43Å; L332-I1725 VanDerWaalsContact CD1-O 3.23Å; L332-I1725 WeakPolarHBondContact CD1-O 3.23Å; L332-I1725 VanDerWaalsContact N-C 3.35Å; L332-L1726 VanDerWaalsContact CD1-O 3.29Å; L332-L1726 WeakPolarHBondContact CD1-O 3.49Å
333R88.3Confident91.9Very high123 Ų12341.1 Ų41.146%0.46423%0.226SC..THydrogen-bonded Turntrans-106.315.3170.4-55.3-49.1179.7102.74.5114.3M298 P304 V329 L330 I331M298-R333 HydrophobicContact CB-CG 4.3Å; M298-R333 HydrophobicContact CE-CB 3.96Å; M298-R333 HydrophobicContact CE-CG 3.55Å; M298-R333 HydrophobicContact SD-CB 3.47Å; M298-R333 WeakPolarHBondContact SD-CB 3.21Å; M298-R333 HydrophobicContact SD-CG 3.71Å; P304-R333 WeakPolarHBondContact CG-O 3.43Å; V329-R333 WeakPolarHBondContact O-CG 3.31Å; V329-R333 PolarHBondContact O-N 3.15Å; L330-R333 CarbonylContact O-C 3.42Å; L330-R333 PolarHBondContact O-N 3.19Å; L330-R333 VanDerWaalsContact O-N 3.15Å; I331-R333 PolarHBondContact O-N 2.87Å; I331-R333 VanDerWaalsContact O-N 3.16Å
334G86Confident91.6Very high41 Ų4140.4 Ų40.442%0.42322%0.222SC..THydrogen-bonded Turntrans87.719.7168.200000117L330 I331L330-G334 PolarHBondContact O-N 3.36Å; L330-G334 VanDerWaalsContact O-N 3.17Å; I331-G334 PolarHBondContact O-N 2.88Å
335A91.9Very high91.6Very high6 Ų639.9 Ų39.95%0.0522%0.221CC..  trans-60.7153.9160.800000110.7P304 L315 L330 I331P304-A335 HydrophobicContact CB-CB 4.15Å; L315-A335 HydrophobicContact CB-CB 4.36Å; L315-A335 HydrophobicContact CD1-CB 3.74Å; L315-A335 HydrophobicContact CD2-CB 3.92Å; L315-A335 HydrophobicContact CG-CB 4.25Å; L330-A335 HydrophobicContact CB-CB 4.11Å; L330-A335 PolarHBondContact O-N 2.92Å; I331-A335 HydrophobicContact CG1-CB 4.12Å; I331-A335 WeakPolarHBondContact CG1-O 3.32Å
336S92Very high91.6Very high53 Ų5334.6 Ų34.637%0.37120%0.196SC..  trans-103.7123.6-175.6-178.70000112.8L315 A338 D339L315-S336 VanDerWaalsContact CD2-C 3.49Å; L315-S336 WeakPolarHBondContact CD2-O 3.49Å; S336-A338 PolarHBondContact O-N 2.87Å; S336-A338 VanDerWaalsContact O-N 3.1Å; S336-A338 PolarHBondContact OG-N 3.23Å; S336-D339 WeakPolarHBondContact O-CB 3.49Å; S336-D339 PolarHBondContact O-N 3.13Å
337V93Very high91.7Very high21 Ų2134.6 Ų34.613%0.12720%0.196CC..THydrogen-bonded Turntrans-58.8-21.1171.4-49.30000112.8I331 P347 L363 N366 C368 E1723I331-V337 HydrophobicContact CD1-CG1 3.66Å; I331-V337 HydrophobicContact CG1-CG1 4.18Å; V337-P347 WeakPolarHBondContact O-CD 3.34Å; V337-L363 HydrophobicContact CB-CD2 4.48Å; V337-N366 HydrophobicContact CG1-CB 4.35Å; V337-C368 HydrophobicContact CB-CB 4.02Å; V337-C368 HydrophobicContact CG2-CB 4.06Å; V337-C368 PolarHBondContact O-SG 3.06Å; V337-E1723 WeakPolarHBondContact CG1-OE2 3.45Å
338A91.3Very high91.8Very high59 Ų5934.6 Ų34.649%0.48820%0.196SC..THydrogen-bonded Turntrans-99.96.9-179.800000113.5S336S336-A338 PolarHBondContact O-N 2.87Å; S336-A338 VanDerWaalsContact O-N 3.1Å; S336-A338 PolarHBondContact OG-N 3.23Å
339D91.5Very high91.9Very high27 Ų2730.5 Ų30.514%0.14418%0.181CC..  trans-59.6144.3174.1-112-48.3000111.2K307 T313 H316 S336 T346 P347K307-D339 WeakPolarHBondContact CE-OD1 2.94Å; K307-D339 IonicContact NZ-OD1 3.49Å; K307-D339 PolarHBondContact NZ-OD1 2.94Å; T313-D339 HydrophobicContact CG2-CB 4.32Å; H316-D339 PolarHBondContact CE1-O 2.83Å; S336-D339 WeakPolarHBondContact O-CB 3.49Å; S336-D339 PolarHBondContact O-N 3.13Å; D339-T346 WeakPolarHBondContact O-CA 3.39Å; D339-P347 WeakPolarHBondContact O-CD 3.16Å
340R92.3Very high92Very high53 Ų5330.6 Ų30.620%0.218%0.181CC..  trans-117.5143.8179-73.2-179.4-176.6171.41.6112.5K307 L345 T346 E1330K307-R340 PolarHBondContact NZ-O 2.88Å; R340-L345 CarbonylContact C-O 3.35Å; R340-L345 VanDerWaalsContact CA-O 3.31Å; R340-L345 WeakPolarHBondContact CA-O 3.4Å; R340-T346 HydrophobicContact CG-CG2 4.02Å; R340-E1330 IonicContact CZ-OE1 3.99Å; R340-E1330 IonicContact NH1-OE1 2.72Å; R340-E1330 PolarHBondContact NH1-OE1 3.44Å
341T91Very high92.1Very high6 Ų630.6 Ų30.64%0.03718%0.181CC..  trans-74.3178166.573.30000111.7L312 H316 D343 S344 L345L312-T341 HydrophobicContact CD2-CG2 3.61Å; L312-T341 HydrophobicContact CG-CG2 4.19Å; H316-T341 VanDerWaalsContact CD2-CG2 3.47Å; H316-T341 WeakPolarHBondContact CD2-CG2 3.36Å; H316-T341 WeakPolarHBondContact NE2-CG2 3.45Å; T341-D343 PolarHBondContact O-N 2.84Å; T341-D343 VanDerWaalsContact O-N 3.11Å; T341-D343 PolarHBondContact OG1-N 3.06Å; T341-S344 PolarHBondContact O-N 2.8Å; T341-S344 VanDerWaalsContact O-N 3.15Å; T341-L345 HydrophobicContact CG2-CB 4.05Å; T341-L345 PolarHBondContact N-O 2.76Å; T341-L345 WeakPolarHBondContact OG1-CB 3.36Å; T341-L345 PolarHBondContact OG1-N 2.99Å
342G81.8Confident92.2Very high30 Ų3030.4 Ų30.431%0.30918%0.18SC..THydrogen-bonded Turntrans-63.2-9.617300000115.5N310 K1458N310-G342 PolarHBondContact O-N 3.16Å; G342-K1458 PolarHBondContact O-NZ 2.9Å
343D87.6Confident92.4Very high72 Ų7230.5 Ų30.539%0.38518%0.178SC..THydrogen-bonded Turntrans-114.522177.4-55-51.5000111.9T341 L345 L375 K1458T341-D343 PolarHBondContact O-N 2.84Å; T341-D343 VanDerWaalsContact O-N 3.11Å; T341-D343 PolarHBondContact OG1-N 3.06Å; D343-L345 HydrophobicContact CB-CG 4.36Å; D343-L345 PolarHBondContact O-N 3.05Å; D343-L345 VanDerWaalsContact O-N 3.11Å; D343-L375 WeakPolarHBondContact O-CB 2.99Å; D343-L375 PolarHBondContact O-N 3.25Å; D343-K1458 IonicContact OD1-NZ 2.72Å; D343-K1458 PolarHBondContact OD1-NZ 3.43Å
344S87Confident92.6Very high2 Ų225.1 Ų25.11%0.01416%0.16CC..SBendtrans57.516.1-176.3-61.50000115.6T341T341-S344 PolarHBondContact O-N 2.8Å; T341-S344 VanDerWaalsContact O-N 3.15Å
345L94.9Very high92.9Very high47 Ų4723.5 Ų23.525%0.24614%0.143CC..  trans-68.3132.1171.7-54.3172.8000109.2H316 R340 T341 D343 H349 A374 I383H316-L345 PolarHBondContact NE2-O 3.02Å; R340-L345 CarbonylContact C-O 3.35Å; R340-L345 VanDerWaalsContact CA-O 3.31Å; R340-L345 WeakPolarHBondContact CA-O 3.4Å; T341-L345 HydrophobicContact CG2-CB 4.05Å; T341-L345 PolarHBondContact N-O 2.76Å; T341-L345 WeakPolarHBondContact OG1-CB 3.36Å; T341-L345 PolarHBondContact OG1-N 2.99Å; D343-L345 HydrophobicContact CB-CG 4.36Å; D343-L345 PolarHBondContact O-N 3.05Å; D343-L345 VanDerWaalsContact O-N 3.11Å; L345-H349 HydrophobicContact CB-CB 3.83Å; L345-H349 HydrophobicContact CD2-CB 3.79Å; L345-H349 HydrophobicContact CG-CB 4.41Å; L345-A374 HydrophobicContact CD2-CB 3.73Å; L345-I383 HydrophobicContact CD2-CD1 4.08Å
346T96Very high93.1Very high3 Ų323.2 Ų23.22%0.01814%0.14CC..  trans-88171.7165.664.20000110.7D339 R340 L348 H349 V350 A372D339-T346 WeakPolarHBondContact O-CA 3.39Å; R340-T346 HydrophobicContact CG-CG2 4.02Å; T346-L348 PolarHBondContact O-N 3.06Å; T346-L348 PolarHBondContact OG1-N 3.1Å; T346-H349 PolarHBondContact N-ND1 2.86Å; T346-H349 WeakPolarHBondContact O-CA 3.4Å; T346-H349 WeakPolarHBondContact O-CB 3.48Å; T346-H349 PolarHBondContact O-N 3.29Å; T346-H349 PolarHBondContact OG1-N 3.1Å; T346-H349 PolarHBondContact OG1-ND1 3.25Å; T346-V350 PolarHBondContact O-N 3.24Å; T346-V350 VanDerWaalsContact O-N 3.09Å; T346-A372 HydrophobicContact CG2-CB 4.23Å
347P96.1Very high93.2Very high0 Ų021.4 Ų21.40%013%0.127CC..Hα-helixtrans-60.9-25.2171.3-13.826.3000111.7L315 A319 V337 D339 V350 A351 L363 V1722 E1723L315-P347 HydrophobicContact CB-CG 4.46Å; L315-P347 HydrophobicContact CD2-CG 4Å; L315-P347 HydrophobicContact CG-CG 4.27Å; A319-P347 HydrophobicContact CB-CB 4.03Å; V337-P347 WeakPolarHBondContact O-CD 3.34Å; D339-P347 WeakPolarHBondContact O-CD 3.16Å; P347-V350 PolarHBondContact O-N 3.1Å; P347-A351 VanDerWaalsContact O-CB 3.25Å; P347-A351 WeakPolarHBondContact O-CB 3.28Å; P347-A351 PolarHBondContact O-N 3.5Å; P347-L363 HydrophobicContact CB-CD2 4.15Å; P347-V1722 HydrophobicContact CB-CG2 4.33Å; P347-E1723 WeakPolarHBondContact CB-OE1 3.23Å; P347-E1723 WeakPolarHBondContact CG-OE1 3.35Å
348L97.4Very high93.2Very high0 Ų023.9 Ų23.90%014%0.137CC..Hα-helixtrans-68.1-32.6168.7-171.160.9000114.2T346 A351 A352 A360 L363 L364 P380 L396T346-L348 PolarHBondContact O-N 3.06Å; T346-L348 PolarHBondContact OG1-N 3.1Å; L348-A351 HydrophobicContact CD1-CB 4.31Å; L348-A351 WeakPolarHBondContact O-CB 3.06Å; L348-A351 PolarHBondContact O-N 2.93Å; L348-A352 WeakPolarHBondContact O-CB 3.39Å; L348-A352 PolarHBondContact O-N 3.07Å; L348-A360 HydrophobicContact CD1-CB 3.64Å; L348-L363 HydrophobicContact CB-CD1 3.9Å; L348-L363 HydrophobicContact CB-CD2 4.03Å; L348-L363 HydrophobicContact CB-CG 4.48Å; L348-L363 HydrophobicContact CD1-CB 4.19Å; L348-L363 HydrophobicContact CD1-CD1 3.8Å; L348-L363 HydrophobicContact CG-CD1 4.45Å; L348-L364 HydrophobicContact CD1-CG 4.39Å; L348-L364 HydrophobicContact CD2-CD2 3.79Å; L348-L364 HydrophobicContact CD2-CG 4.32Å; L348-P380 HydrophobicContact CB-CG 4.3Å; L348-P380 HydrophobicContact CD2-CB 4.24Å; L348-P380 HydrophobicContact CD2-CG 3.81Å; L348-P380 HydrophobicContact CG-CB 3.94Å; L348-P380 HydrophobicContact CG-CG 3.72Å; L348-L396 HydrophobicContact CD1-CD2 4.22Å; L348-L396 HydrophobicContact CD2-CD2 4.1Å; L348-L396 HydrophobicContact CG-CD2 4.41Å
349H97.1Very high93.5Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-69.9-38.4171.5-70.579.8000111.7L345 T346 A351 A352 H353 A372 A374 F378 I383L345-H349 HydrophobicContact CB-CB 3.83Å; L345-H349 HydrophobicContact CD2-CB 3.79Å; L345-H349 HydrophobicContact CG-CB 4.41Å; T346-H349 PolarHBondContact N-ND1 2.86Å; T346-H349 WeakPolarHBondContact O-CA 3.4Å; T346-H349 WeakPolarHBondContact O-CB 3.48Å; T346-H349 PolarHBondContact O-N 3.29Å; T346-H349 PolarHBondContact OG1-N 3.1Å; T346-H349 PolarHBondContact OG1-ND1 3.25Å; H349-A351 VanDerWaalsContact C-N 3.31Å; H349-A352 PolarHBondContact O-N 2.99Å; H349-H353 VanDerWaalsContact O-CB 3.24Å; H349-H353 WeakPolarHBondContact O-CB 3.47Å; H349-H353 PolarHBondContact O-N 2.86Å; H349-A372 PolarHBondContact CE1-O 3.29Å; H349-A372 PolarHBondContact NE2-O 3.14Å; H349-A374 PolarHBondContact NE2-N 3.04Å; H349-A374 VanDerWaalsContact NE2-N 3.17Å; H349-F378 PolarHBondContact NE2-O 3.33Å; H349-F378 VanDerWaalsContact NE2-O 3.13Å; H349-I383 HydrophobicContact CB-CD1 4.24Å
350V95.8Very high93.7Very high13 Ų1319.8 Ų19.88%0.07911%0.107CC..Hα-helixtrans-64.9-40171.4179.50000110.2A319 Q320 T346 P347 A352 C354A319-V350 HydrophobicContact CB-CB 4.06Å; A319-V350 HydrophobicContact CB-CG1 3.89Å; Q320-V350 HydrophobicContact CB-CG1 4.23Å; Q320-V350 HydrophobicContact CG-CG1 4.42Å; T346-V350 PolarHBondContact O-N 3.24Å; T346-V350 VanDerWaalsContact O-N 3.09Å; P347-V350 PolarHBondContact O-N 3.1Å; V350-A352 PolarHBondContact O-N 3.34Å; V350-C354 VanDerWaalsContact O-CB 3.3Å; V350-C354 WeakPolarHBondContact O-CB 3.06Å; V350-C354 PolarHBondContact O-N 3.05Å; V350-C354 VanDerWaalsContact O-N 3.08Å; V350-C354 PolarHBondContact O-SG 2.98Å
351A96.6Very high93.9Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-59.3-44.1174.700000112.9P347 L348 H349 G355 N356 V359 A360 L363P347-A351 VanDerWaalsContact O-CB 3.25Å; P347-A351 WeakPolarHBondContact O-CB 3.28Å; P347-A351 PolarHBondContact O-N 3.5Å; L348-A351 HydrophobicContact CD1-CB 4.31Å; L348-A351 WeakPolarHBondContact O-CB 3.06Å; L348-A351 PolarHBondContact O-N 2.93Å; H349-A351 VanDerWaalsContact C-N 3.31Å; A351-G355 PolarHBondContact O-N 3.21Å; A351-N356 WeakPolarHBondContact CA-ND2 3.35Å; A351-N356 HydrophobicContact CB-CB 3.9Å; A351-N356 WeakPolarHBondContact O-CB 3.26Å; A351-N356 PolarHBondContact O-N 2.95Å; A351-N356 PolarHBondContact O-OD1 2.99Å; A351-V359 HydrophobicContact CB-CG1 3.76Å; A351-A360 HydrophobicContact CB-CB 4.38Å; A351-L363 HydrophobicContact CB-CD1 3.7Å
352A96.6Very high94.1Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-78.9-35.9179.600000113.8L348 H349 V350 C354 P380 I383 A384 V392 L396L348-A352 WeakPolarHBondContact O-CB 3.39Å; L348-A352 PolarHBondContact O-N 3.07Å; H349-A352 PolarHBondContact O-N 2.99Å; V350-A352 PolarHBondContact O-N 3.34Å; A352-C354 PolarHBondContact O-N 2.97Å; A352-P380 HydrophobicContact CB-CB 3.82Å; A352-P380 VanDerWaalsContact CB-O 3.31Å; A352-P380 WeakPolarHBondContact CB-O 3.46Å; A352-I383 HydrophobicContact CB-CG2 4.42Å; A352-A384 HydrophobicContact CB-CB 4.25Å; A352-V392 HydrophobicContact CB-CG1 4.14Å; A352-L396 HydrophobicContact CB-CD1 4.49Å
353H95.8Very high94.9Very high84 Ų8419.3 Ų19.339%0.38910%0.096SC..Hα-helixtrans-57.6-42.4172.9171-91.1000111.1H349 I383 K387H349-H353 VanDerWaalsContact O-CB 3.24Å; H349-H353 WeakPolarHBondContact O-CB 3.47Å; H349-H353 PolarHBondContact O-N 2.86Å; H353-I383 HydrophobicContact CB-CG2 3.66Å; H353-I383 VanDerWaalsContact N-CG2 3.28Å; H353-K387 VanDerWaalsContact NE2-CE 3.26Å; H353-K387 WeakPolarHBondContact NE2-CE 3.46Å; H353-K387 PolarHBondContact NE2-NZ 3.19Å; H353-K387 WeakPolarHBondContact O-CG 3.05Å
354C93Very high95.3Very high11 Ų1116.6 Ų16.67%0.0748%0.081CC..Hα-helixtrans-78.4-63.1179.4-63.80000109.6V350 A352 N356 K389 L1719V350-C354 VanDerWaalsContact O-CB 3.3Å; V350-C354 WeakPolarHBondContact O-CB 3.06Å; V350-C354 PolarHBondContact O-N 3.05Å; V350-C354 VanDerWaalsContact O-N 3.08Å; V350-C354 PolarHBondContact O-SG 2.98Å; A352-C354 PolarHBondContact O-N 2.97Å; C354-N356 VanDerWaalsContact C-OD1 3.32Å; C354-N356 VanDerWaalsContact CB-CG 3.47Å; C354-N356 VanDerWaalsContact CB-ND2 3.35Å; C354-N356 WeakPolarHBondContact CB-ND2 3.4Å; C354-N356 WeakPolarHBondContact CB-OD1 3.41Å; C354-K389 WeakPolarHBondContact O-CD 3.47Å; C354-K389 WeakPolarHBondContact O-CE 3.32Å; C354-K389 WeakPolarHBondContact O-CG 3.21Å; C354-L1719 VanDerWaalsContact C-CD2 3.47Å; C354-L1719 HydrophobicContact CB-CB 3.97Å; C354-L1719 HydrophobicContact CB-CD2 3.88Å; C354-L1719 HydrophobicContact CB-CG 4.42Å; C354-L1719 WeakPolarHBondContact O-CD1 3.26Å; C354-L1719 WeakPolarHBondContact O-CD2 3.42Å; C354-L1719 WeakPolarHBondContact O-CG 3.12Å
355G92.7Very high95.7Very high6 Ų620.8 Ų20.86%0.06210%0.103CC..THydrogen-bonded Turntrans127.650.3-174.600000112.9A351 T357 V392 K1720A351-G355 PolarHBondContact O-N 3.21Å; G355-T357 PolarHBondContact O-N 3.02Å; G355-V392 VanDerWaalsContact C-CG2 3.44Å; G355-K1720 PolarHBondContact O-NZ 3.18Å
356N95Very high95.6Very high0 Ų020.5 Ų20.50%010%0.102CC..  trans-106.564.7-152.7-55.9-0.8000111.5A319 A351 C354 V359 A360 V392 L1719 K1720A319-N356 PolarHBondContact O-ND2 3.29Å; A351-N356 WeakPolarHBondContact CA-ND2 3.35Å; A351-N356 HydrophobicContact CB-CB 3.9Å; A351-N356 WeakPolarHBondContact O-CB 3.26Å; A351-N356 PolarHBondContact O-N 2.95Å; A351-N356 PolarHBondContact O-OD1 2.99Å; C354-N356 VanDerWaalsContact C-OD1 3.32Å; C354-N356 VanDerWaalsContact CB-CG 3.47Å; C354-N356 VanDerWaalsContact CB-ND2 3.35Å; C354-N356 WeakPolarHBondContact CB-ND2 3.4Å; C354-N356 WeakPolarHBondContact CB-OD1 3.41Å; N356-V359 HydrophobicContact CB-CB 4.01Å; N356-V359 HydrophobicContact CB-CG1 3.3Å; N356-V359 CarbonylContact O-C 3.6Å; N356-V359 WeakPolarHBondContact O-CA 3.09Å; N356-V359 WeakPolarHBondContact O-CB 3.41Å; N356-V359 VanDerWaalsContact O-CG1 3.24Å; N356-V359 WeakPolarHBondContact O-CG1 3.46Å; N356-V359 PolarHBondContact O-N 3.05Å; N356-A360 PolarHBondContact O-N 3.09Å; N356-V392 VanDerWaalsContact N-CG2 3.29Å; N356-L1719 WeakPolarHBondContact OD1-CB 3.47Å; N356-K1720 HydrophobicContact CB-CB 4.05Å; N356-K1720 HydrophobicContact CB-CG 4.39Å; N356-K1720 WeakPolarHBondContact ND2-CA 3.46Å; N356-K1720 PolarHBondContact ND2-N 3.21Å; N356-K1720 VanDerWaalsContact OD1-CA 3.25Å; N356-K1720 WeakPolarHBondContact OD1-CA 3.4Å; N356-K1720 PolarHBondContact OD1-N 2.91Å
357T94.1Very high95.4Very high16 Ų1623.4 Ų23.410%0.09813%0.132CC..Hα-helixtrans-44.2-68.3-168.7-40.30000116.7G355 V359 A360 R361 R391 L395 K1720G355-T357 PolarHBondContact O-N 3.02Å; T357-V359 PolarHBondContact O-N 2.86Å; T357-A360 PolarHBondContact O-N 3.18Å; T357-R361 PolarHBondContact O-N 2.95Å; T357-R391 HydrophobicContact CG2-CB 4.11Å; T357-L395 HydrophobicContact CG2-CD2 4.17Å; T357-L395 WeakPolarHBondContact O-CD2 3.41Å; T357-K1720 PolarHBondContact OG1-NZ 3.04Å
358E94.6Very high95.3Very high73 Ų7323.6 Ų23.634%0.34113%0.134SC..Hα-helixtrans-59.7-11.9-177.5-55.2-36.211000113.7R361 I362E358-R361 VanDerWaalsContact CD-NH2 3.34Å; E358-R361 WeakPolarHBondContact O-CB 3.41Å; E358-R361 IonicContact OE1-NH2 3.12Å; E358-R361 PolarHBondContact OE1-NH2 3.12Å; E358-R361 VanDerWaalsContact OE1-NH2 3.12Å; E358-R361 IonicContact OE2-CZ 3.2Å; E358-R361 IonicContact OE2-NE 3.14Å; E358-R361 PolarHBondContact OE2-NE 3.37Å; E358-R361 IonicContact OE2-NH2 2.76Å; E358-R361 PolarHBondContact OE2-NH2 3.28Å; E358-I362 WeakPolarHBondContact O-CB 3.3Å; E358-I362 WeakPolarHBondContact O-CD1 3.47Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.29Å; E358-I362 VanDerWaalsContact O-N 3.07Å
359V95.7Very high95.1Very high0 Ų027.6 Ų27.60%016%0.155CC..Hα-helixtrans-103.1-46.4-168.1129.80000110.8E324 A351 N356 T357 R361 I362 L363 V1722E324-V359 HydrophobicContact CG-CG2 3.72Å; A351-V359 HydrophobicContact CB-CG1 3.76Å; N356-V359 HydrophobicContact CB-CB 4.01Å; N356-V359 HydrophobicContact CB-CG1 3.3Å; N356-V359 CarbonylContact O-C 3.6Å; N356-V359 WeakPolarHBondContact O-CA 3.09Å; N356-V359 WeakPolarHBondContact O-CB 3.41Å; N356-V359 VanDerWaalsContact O-CG1 3.24Å; N356-V359 WeakPolarHBondContact O-CG1 3.46Å; N356-V359 PolarHBondContact O-N 3.05Å; T357-V359 PolarHBondContact O-N 2.86Å; V359-R361 PolarHBondContact O-N 3.05Å; V359-I362 PolarHBondContact O-N 3.24Å; V359-L363 HydrophobicContact CG1-CD1 4.45Å; V359-L363 VanDerWaalsContact O-CB 3.29Å; V359-L363 WeakPolarHBondContact O-CB 3.25Å; V359-L363 WeakPolarHBondContact O-CD1 3.34Å; V359-L363 PolarHBondContact O-N 3.14Å; V359-V1722 HydrophobicContact CB-CB 3.79Å; V359-V1722 HydrophobicContact CB-CG1 3.63Å; V359-V1722 HydrophobicContact CG1-CB 3.37Å; V359-V1722 HydrophobicContact CG1-CG1 3.41Å; V359-V1722 VanDerWaalsContact CG1-CG1 3.41Å; V359-V1722 HydrophobicContact CG1-CG2 4.08Å; V359-V1722 HydrophobicContact CG2-CB 3.68Å; V359-V1722 HydrophobicContact CG2-CG1 3.74Å; V359-V1722 WeakPolarHBondContact O-CG1 3.3Å
360A96.5Very high95Very high0 Ų028.2 Ų28.20%016%0.159CC..Hα-helixtrans-54.4-36.8161.700000109.1L348 A351 N356 T357 L363 L364 V392 L395L348-A360 HydrophobicContact CD1-CB 3.64Å; A351-A360 HydrophobicContact CB-CB 4.38Å; N356-A360 PolarHBondContact O-N 3.09Å; T357-A360 PolarHBondContact O-N 3.18Å; A360-L363 WeakPolarHBondContact O-CB 3.37Å; A360-L364 VanDerWaalsContact O-CB 3.28Å; A360-L364 WeakPolarHBondContact O-CB 3.19Å; A360-L364 WeakPolarHBondContact O-CD1 3.24Å; A360-L364 WeakPolarHBondContact O-CG 3.38Å; A360-L364 PolarHBondContact O-N 2.96Å; A360-V392 HydrophobicContact CB-CG1 4.11Å; A360-L395 HydrophobicContact CB-CD2 3.74Å
361R96.8Very high95Very high74 Ų7428.8 Ų28.828%0.27916%0.161SC..Hα-helixtrans-59.9-59.7172.3-174.2-162.4-47.3-59-3.8110.9T357 E358 V359 L363 L364 D365 L395 Y399T357-R361 PolarHBondContact O-N 2.95Å; E358-R361 VanDerWaalsContact CD-NH2 3.34Å; E358-R361 WeakPolarHBondContact O-CB 3.41Å; E358-R361 IonicContact OE1-NH2 3.12Å; E358-R361 PolarHBondContact OE1-NH2 3.12Å; E358-R361 VanDerWaalsContact OE1-NH2 3.12Å; E358-R361 IonicContact OE2-CZ 3.2Å; E358-R361 IonicContact OE2-NE 3.14Å; E358-R361 PolarHBondContact OE2-NE 3.37Å; E358-R361 IonicContact OE2-NH2 2.76Å; E358-R361 PolarHBondContact OE2-NH2 3.28Å; V359-R361 PolarHBondContact O-N 3.05Å; R361-L363 VanDerWaalsContact C-N 3.26Å; R361-L363 PolarHBondContact O-N 3.17Å; R361-L364 PolarHBondContact O-N 2.86Å; R361-D365 WeakPolarHBondContact O-CB 3.48Å; R361-D365 PolarHBondContact O-N 3.15Å; R361-L395 HydrophobicContact CB-CD1 4.31Å; R361-L395 HydrophobicContact CB-CD2 4.03Å; R361-Y399 WeakPolarHBondContact CG-OH 3.38Å
362I96.2Very high94.8Very high5 Ų528.9 Ų28.93%0.02616%0.163CC..Hα-helixtrans-58.8-36.6-177.5-68158.9000112.4E324 R328 E358 V359 N366 E1723 N1724E324-I362 HydrophobicContact CB-CD1 4.4Å; E324-I362 HydrophobicContact CG-CD1 4.25Å; R328-I362 VanDerWaalsContact NH2-CD1 3.27Å; E358-I362 WeakPolarHBondContact O-CB 3.3Å; E358-I362 WeakPolarHBondContact O-CD1 3.47Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.29Å; E358-I362 VanDerWaalsContact O-N 3.07Å; V359-I362 PolarHBondContact O-N 3.24Å; I362-N366 PolarHBondContact O-ND2 2.94Å; I362-E1723 HydrophobicContact CG2-CB 4.14Å; I362-E1723 WeakPolarHBondContact CG2-O 3.46Å; I362-N1724 HydrophobicContact CG2-CB 3.58Å; I362-N1724 PolarHBondContact O-ND2 3.21Å
363L96.6Very high94.8Very high0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-57.3-53169.8-93153.1000112.7V337 P347 L348 A351 V359 A360 R361 N366 G367 C368 V1722 E1723V337-L363 HydrophobicContact CB-CD2 4.48Å; P347-L363 HydrophobicContact CB-CD2 4.15Å; L348-L363 HydrophobicContact CB-CD1 3.9Å; L348-L363 HydrophobicContact CB-CD2 4.03Å; L348-L363 HydrophobicContact CB-CG 4.48Å; L348-L363 HydrophobicContact CD1-CB 4.19Å; L348-L363 HydrophobicContact CD1-CD1 3.8Å; L348-L363 HydrophobicContact CG-CD1 4.45Å; A351-L363 HydrophobicContact CB-CD1 3.7Å; V359-L363 HydrophobicContact CG1-CD1 4.45Å; V359-L363 VanDerWaalsContact O-CB 3.29Å; V359-L363 WeakPolarHBondContact O-CB 3.25Å; V359-L363 WeakPolarHBondContact O-CD1 3.34Å; V359-L363 PolarHBondContact O-N 3.14Å; A360-L363 WeakPolarHBondContact O-CB 3.37Å; R361-L363 VanDerWaalsContact C-N 3.26Å; R361-L363 PolarHBondContact O-N 3.17Å; L363-N366 CarbonylContact O-C 2.76Å; L363-N366 PolarHBondContact O-N 2.85Å; L363-G367 PolarHBondContact O-N 3.32Å; L363-C368 HydrophobicContact CB-CB 3.96Å; L363-C368 HydrophobicContact CD2-CB 3.51Å; L363-C368 VanDerWaalsContact CD2-SG 3.51Å; L363-C368 HydrophobicContact CG-CB 4.4Å; L363-C368 VanDerWaalsContact O-CB 3.25Å; L363-C368 WeakPolarHBondContact O-CB 3.37Å; L363-C368 PolarHBondContact O-N 3.17Å; L363-V1722 HydrophobicContact CD1-CB 4.48Å; L363-V1722 HydrophobicContact CD1-CG1 3.71Å; L363-V1722 HydrophobicContact CD1-CG2 4.08Å; L363-V1722 HydrophobicContact CG-CG1 3.7Å; L363-V1722 HydrophobicContact CG-CG2 4.44Å; L363-E1723 WeakPolarHBondContact CD2-OE1 3.31Å; L363-E1723 WeakPolarHBondContact CD2-OE2 3.32Å; L363-E1723 HydrophobicContact CG-CG 4.39Å; L363-E1723 VanDerWaalsContact CG-OE2 3.26Å; L363-E1723 WeakPolarHBondContact CG-OE2 3.43Å
364L96.1Very high94.5Very high15 Ų1527.9 Ų27.98%0.07916%0.158CC..Hα-helixtrans-68.8-38-175.8-68.6162.8000111.4L348 A360 R361 N366 G367 V370 L395 L396 Y399L348-L364 HydrophobicContact CD1-CG 4.39Å; L348-L364 HydrophobicContact CD2-CD2 3.79Å; L348-L364 HydrophobicContact CD2-CG 4.32Å; A360-L364 VanDerWaalsContact O-CB 3.28Å; A360-L364 WeakPolarHBondContact O-CB 3.19Å; A360-L364 WeakPolarHBondContact O-CD1 3.24Å; A360-L364 WeakPolarHBondContact O-CG 3.38Å; A360-L364 PolarHBondContact O-N 2.96Å; R361-L364 PolarHBondContact O-N 2.86Å; L364-N366 PolarHBondContact O-N 3.26Å; L364-G367 PolarHBondContact O-N 3.21Å; L364-V370 HydrophobicContact CD2-CB 3.47Å; L364-V370 VanDerWaalsContact CD2-CB 3.47Å; L364-V370 HydrophobicContact CD2-CG2 3.63Å; L364-L395 HydrophobicContact CD1-CG 4.29Å; L364-L396 HydrophobicContact CD1-CD2 4.21Å; L364-Y399 HydrophobicContact CB-CD1 3.46Å; L364-Y399 VanDerWaalsContact CB-CD1 3.46Å; L364-Y399 HydrophobicContact CB-CE1 3.52Å; L364-Y399 HydrophobicContact CB-CG 3.96Å; L364-Y399 HydrophobicContact CD1-CD1 4.3Å; L364-Y399 HydrophobicContact CD1-CD2 3.97Å; L364-Y399 HydrophobicContact CD1-CE2 4.38Å; L364-Y399 HydrophobicContact CD1-CG 3.9Å; L364-Y399 HydrophobicContact CG-CD1 4.3Å; L364-Y399 HydrophobicContact CG-CG 4.35Å
365D95.4Very high94.2Very high89 Ų8928.5 Ų28.548%0.47616%0.16SC..THydrogen-bonded Turntrans-56.2-17.8172.5-68.1-21.3000113R361 Y399R361-D365 WeakPolarHBondContact O-CB 3.48Å; R361-D365 PolarHBondContact O-N 3.15Å; D365-Y399 PolarHBondContact OD1-OH 3.43Å
366N94.1Very high93.8Very high42 Ų4231.4 Ų31.423%0.22517%0.174CC..THydrogen-bonded Turntrans-118.921.6-178.3-70.4-86.5000113.2V337 I362 L363 L364 C368 N1724 I1725V337-N366 HydrophobicContact CG1-CB 4.35Å; I362-N366 PolarHBondContact O-ND2 2.94Å; L363-N366 CarbonylContact O-C 2.76Å; L363-N366 PolarHBondContact O-N 2.85Å; L364-N366 PolarHBondContact O-N 3.26Å; N366-C368 VanDerWaalsContact C-N 3.33Å; N366-C368 PolarHBondContact O-N 3.22Å; N366-N1724 HydrophobicContact CB-CB 4.33Å; N366-N1724 VanDerWaalsContact CB-ND2 3.29Å; N366-N1724 WeakPolarHBondContact CB-ND2 3.34Å; N366-N1724 WeakPolarHBondContact CB-OD1 3.49Å; N366-N1724 WeakPolarHBondContact ND2-CB 3.26Å; N366-N1724 PolarHBondContact ND2-ND2 3.5Å; N366-I1725 WeakPolarHBondContact OD1-CD1 3.37Å; N366-I1725 WeakPolarHBondContact OD1-CG1 3.36Å
367G91.8Very high93.5Very high63 Ų6331.4 Ų31.465%0.64917%0.174SC*.THydrogen-bonded Turntrans72.123.9172.300000114.1L363 L364 D369L363-G367 PolarHBondContact O-N 3.32Å; L364-G367 PolarHBondContact O-N 3.21Å; G367-D369 PolarHBondContact O-N 3.41Å
368C93.7Very high93.5Very high5 Ų532.5 Ų32.53%0.03418%0.178CC..  trans-61.8126.1159.7-166.50000108.6V337 L363 N366 V370V337-C368 HydrophobicContact CB-CB 4.02Å; V337-C368 HydrophobicContact CG2-CB 4.06Å; V337-C368 PolarHBondContact O-SG 3.06Å; L363-C368 HydrophobicContact CB-CB 3.96Å; L363-C368 HydrophobicContact CD2-CB 3.51Å; L363-C368 VanDerWaalsContact CD2-SG 3.51Å; L363-C368 HydrophobicContact CG-CB 4.4Å; L363-C368 VanDerWaalsContact O-CB 3.25Å; L363-C368 WeakPolarHBondContact O-CB 3.37Å; L363-C368 PolarHBondContact O-N 3.17Å; N366-C368 VanDerWaalsContact C-N 3.33Å; N366-C368 PolarHBondContact O-N 3.22Å; C368-V370 PolarHBondContact O-N 2.98Å
369D93.1Very high93.6Very high83 Ų8329.1 Ų29.144%0.44416%0.162SC..  trans-63.7106.6-176.517220.6000111.4G367 N371 A372G367-D369 PolarHBondContact O-N 3.41Å; D369-N371 PolarHBondContact O-N 3.42Å; D369-N371 VanDerWaalsContact O-N 3.1Å; D369-N371 WeakPolarHBondContact OD1-CA 3.23Å; D369-N371 WeakPolarHBondContact OD1-CB 3.47Å; D369-N371 PolarHBondContact OD1-N 3.06Å; D369-A372 HydrophobicContact CB-CB 3.99Å; D369-A372 WeakPolarHBondContact O-CB 3.49Å; D369-A372 PolarHBondContact O-N 3Å; D369-A372 PolarHBondContact OD1-N 2.58Å; D369-A372 WeakPolarHBondContact OD2-CA 3.22Å; D369-A372 PolarHBondContact OD2-N 2.98Å; D369-A372 VanDerWaalsContact OD2-N 3.1Å
370V95.4Very high93.7Very high14 Ų1429.1 Ų29.19%0.08516%0.162CC..THydrogen-bonded Turntrans-51.2-28.6174.273.50000112.9L364 C368 L396 Y399 A401L364-V370 HydrophobicContact CD2-CB 3.47Å; L364-V370 VanDerWaalsContact CD2-CB 3.47Å; L364-V370 HydrophobicContact CD2-CG2 3.63Å; C368-V370 PolarHBondContact O-N 2.98Å; V370-L396 HydrophobicContact CG2-CB 4.3Å; V370-L396 HydrophobicContact CG2-CD2 3.63Å; V370-Y399 WeakPolarHBondContact CG1-O 3.41Å; V370-A401 HydrophobicContact CG2-CB 3.82Å
371N95.4Very high93.7Very high24 Ų2429.1 Ų29.113%0.12816%0.162CC..THydrogen-bonded Turntrans-106.25.7-173.1-77.6-47.7000112.8D369 T379 D400 Q402 M405D369-N371 PolarHBondContact O-N 3.42Å; D369-N371 VanDerWaalsContact O-N 3.1Å; D369-N371 WeakPolarHBondContact OD1-CA 3.23Å; D369-N371 WeakPolarHBondContact OD1-CB 3.47Å; D369-N371 PolarHBondContact OD1-N 3.06Å; N371-T379 WeakPolarHBondContact O-CG2 3.14Å; N371-D400 PolarHBondContact ND2-O 3.21Å; N371-D400 VanDerWaalsContact ND2-O 3.16Å; N371-Q402 WeakPolarHBondContact OD1-CB 3.19Å; N371-Q402 PolarHBondContact OD1-N 3.41Å; N371-M405 HydrophobicContact CB-CE 3.76Å
372A93.2Very high93.7Very high3 Ų325.6 Ų25.63%0.02515%0.148CC..  trans-54.3146.1-179.700000111.2T346 H349 D369 T379 P380T346-A372 HydrophobicContact CG2-CB 4.23Å; H349-A372 PolarHBondContact CE1-O 3.29Å; H349-A372 PolarHBondContact NE2-O 3.14Å; D369-A372 HydrophobicContact CB-CB 3.99Å; D369-A372 WeakPolarHBondContact O-CB 3.49Å; D369-A372 PolarHBondContact O-N 3Å; D369-A372 PolarHBondContact OD1-N 2.58Å; D369-A372 WeakPolarHBondContact OD2-CA 3.22Å; D369-A372 PolarHBondContact OD2-N 2.98Å; D369-A372 VanDerWaalsContact OD2-N 3.1Å; A372-T379 VanDerWaalsContact O-CA 3.26Å; A372-T379 WeakPolarHBondContact O-CA 3.49Å; A372-P380 VanDerWaalsContact O-CD 3.22Å; A372-P380 WeakPolarHBondContact O-CD 3.24Å
373R94.8Very high93.7Very high52 Ų5226.2 Ų26.220%0.19615%0.152CC..  trans-109.3128-178-61.4173.271.280-6.9111.3G377 T379 M405 T406 E408R373-G377 PolarHBondContact NH1-O 3.1Å; R373-T379 HydrophobicContact CG-CG2 4.3Å; R373-M405 HydrophobicContact CG-SD 4.09Å; R373-M405 PolarHBondContact NH1-SD 2.8Å; R373-T406 VanDerWaalsContact CZ-O 3.28Å; R373-T406 PolarHBondContact NH1-O 3.14Å; R373-T406 PolarHBondContact NH2-O 2.94Å; R373-E408 IonicContact CZ-OE1 2.82Å; R373-E408 IonicContact NE-OE1 3.56Å; R373-E408 IonicContact NH2-OE1 2.73Å; R373-E408 PolarHBondContact NH2-OE1 3.01Å
374A91.5Very high93.7Very high11 Ų1126.2 Ų26.29%0.09115%0.152CC..  trans-71.8173.1163.100000111.4L345 H349 N376 G377 F378L345-A374 HydrophobicContact CD2-CB 3.73Å; H349-A374 PolarHBondContact NE2-N 3.04Å; H349-A374 VanDerWaalsContact NE2-N 3.17Å; A374-N376 PolarHBondContact O-N 3.31Å; A374-G377 PolarHBondContact O-N 3.39Å; A374-F378 HydrophobicContact CB-CB 4.43Å; A374-F378 WeakPolarHBondContact CB-O 3.45Å; A374-F378 PolarHBondContact N-O 3.42Å
375L85.9Confident93.7Very high24 Ų2425.5 Ų25.513%0.12615%0.148CC..THydrogen-bonded Turntrans-52.2-31.2-174-177.261.9000114.7D343 F1326 I1403D343-L375 WeakPolarHBondContact O-CB 2.99Å; D343-L375 PolarHBondContact O-N 3.25Å; L375-F1326 HydrophobicContact CD1-CZ 4.39Å; L375-I1403 HydrophobicContact CD1-CD1 3.73Å
376N84Confident93.7Very high67 Ų6726.5 Ų26.536%0.35815%0.148SC..THydrogen-bonded Turntrans-98.517.6-179.7-61.41.4000113A374 F378 T407 E408 I1456A374-N376 PolarHBondContact O-N 3.31Å; N376-F378 HydrophobicContact CB-CD2 3.92Å; N376-F378 HydrophobicContact CB-CE2 4.37Å; N376-F378 PolarHBondContact O-N 3.15Å; N376-T407 WeakPolarHBondContact O-CB 3.47Å; N376-E408 PolarHBondContact O-N 3.35Å; N376-I1456 VanDerWaalsContact OD1-CD1 3.3Å; N376-I1456 WeakPolarHBondContact OD1-CD1 3.49Å
377G89Confident93.7Very high0 Ų028.7 Ų28.70%016%0.156CC..SBendtrans73.54.2-178.500000114.9R373 A374 T379 E408R373-G377 PolarHBondContact NH1-O 3.1Å; A374-G377 PolarHBondContact O-N 3.39Å; G377-T379 PolarHBondContact O-N 3.48Å; G377-E408 WeakPolarHBondContact CA-OE1 3.39Å
378F94.7Very high93.8Very high39 Ų3930.3 Ų30.317%0.17115%0.146CC..  trans-67.9125.3174-84.8-106.8000109.7H349 A374 N376 H382 I383 K386 T407 V416H349-F378 PolarHBondContact NE2-O 3.33Å; H349-F378 VanDerWaalsContact NE2-O 3.13Å; A374-F378 HydrophobicContact CB-CB 4.43Å; A374-F378 WeakPolarHBondContact CB-O 3.45Å; A374-F378 PolarHBondContact N-O 3.42Å; N376-F378 HydrophobicContact CB-CD2 3.92Å; N376-F378 HydrophobicContact CB-CE2 4.37Å; N376-F378 PolarHBondContact O-N 3.15Å; F378-H382 HydrophobicContact CB-CB 4.24Å; F378-H382 HydrophobicContact CD1-CB 3.57Å; F378-H382 HydrophobicContact CE1-CB 4.25Å; F378-H382 HydrophobicContact CG-CB 4.18Å; F378-I383 HydrophobicContact CB-CD1 4.43Å; F378-I383 HydrophobicContact CB-CG1 4.02Å; F378-I383 HydrophobicContact CD1-CG1 4.06Å; F378-I383 HydrophobicContact CG-CG1 4.48Å; F378-K386 HydrophobicContact CE1-CD 4.13Å; F378-T407 HydrophobicContact CD1-CG2 4.4Å; F378-T407 HydrophobicContact CD2-CG2 3.5Å; F378-T407 VanDerWaalsContact CD2-CG2 3.5Å; F378-T407 HydrophobicContact CE1-CG2 4.39Å; F378-T407 HydrophobicContact CE2-CG2 3.52Å; F378-T407 HydrophobicContact CG-CG2 3.96Å; F378-T407 HydrophobicContact CZ-CG2 3.98Å; F378-V416 HydrophobicContact CE1-CG2 4.39Å
379T96.2Very high93.9Very high1 Ų132.8 Ų32.81%0.00616%0.156CC..  trans-87.5168.516869.60000111.6N371 A372 R373 G377 L381 H382 I383 M405N371-T379 WeakPolarHBondContact O-CG2 3.14Å; A372-T379 VanDerWaalsContact O-CA 3.26Å; A372-T379 WeakPolarHBondContact O-CA 3.49Å; R373-T379 HydrophobicContact CG-CG2 4.3Å; G377-T379 PolarHBondContact O-N 3.48Å; T379-L381 PolarHBondContact O-N 3.15Å; T379-L381 VanDerWaalsContact O-N 3.15Å; T379-L381 PolarHBondContact OG1-N 3.37Å; T379-H382 PolarHBondContact N-ND1 3.12Å; T379-H382 WeakPolarHBondContact O-CB 3.38Å; T379-H382 PolarHBondContact O-N 3.27Å; T379-H382 PolarHBondContact OG1-N 2.95Å; T379-H382 PolarHBondContact OG1-ND1 3.43Å; T379-I383 PolarHBondContact O-N 3.48Å; T379-M405 HydrophobicContact CG2-CE 4.19Å; T379-M405 HydrophobicContact CG2-SD 3.42Å; T379-M405 WeakPolarHBondContact CG2-SD 3.35Å
380P96.5Very high94Very high0 Ų031.4 Ų31.40%015%0.149CC..Hα-helixtrans-48.7-38.3168.6-30.537.5000112.7L348 A352 A372 I383 A384 L396L348-P380 HydrophobicContact CB-CG 4.3Å; L348-P380 HydrophobicContact CD2-CB 4.24Å; L348-P380 HydrophobicContact CD2-CG 3.81Å; L348-P380 HydrophobicContact CG-CB 3.94Å; L348-P380 HydrophobicContact CG-CG 3.72Å; A352-P380 HydrophobicContact CB-CB 3.82Å; A352-P380 VanDerWaalsContact CB-O 3.31Å; A352-P380 WeakPolarHBondContact CB-O 3.46Å; A372-P380 VanDerWaalsContact O-CD 3.22Å; A372-P380 WeakPolarHBondContact O-CD 3.24Å; P380-I383 PolarHBondContact O-N 3.18Å; P380-A384 WeakPolarHBondContact O-CB 3.26Å; P380-A384 PolarHBondContact O-N 3.23Å; P380-L396 VanDerWaalsContact C-CD1 3.47Å; P380-L396 HydrophobicContact CB-CD1 3.74Å; P380-L396 HydrophobicContact CB-CD2 3.86Å
381L97.4Very high94Very high0 Ų039.5 Ų39.50%018%0.178CC..Hα-helixtrans-65.8-44.5178.1-175.763.1000112T379 I383 A384 C385 I393 L396 L397 A401 I403 P413T379-L381 PolarHBondContact O-N 3.15Å; T379-L381 VanDerWaalsContact O-N 3.15Å; T379-L381 PolarHBondContact OG1-N 3.37Å; L381-I383 VanDerWaalsContact C-N 3.3Å; L381-I383 PolarHBondContact O-N 3.22Å; L381-A384 PolarHBondContact O-N 2.89Å; L381-C385 WeakPolarHBondContact O-CB 3.25Å; L381-C385 PolarHBondContact O-N 3.27Å; L381-C385 PolarHBondContact O-SG 3.48Å; L381-I393 HydrophobicContact CD1-CB 4.37Å; L381-I393 HydrophobicContact CD1-CG2 3.78Å; L381-L396 HydrophobicContact CB-CD1 4.24Å; L381-L396 HydrophobicContact CD1-CB 4.3Å; L381-L396 HydrophobicContact CD1-CD1 4.49Å; L381-L397 HydrophobicContact CD1-CD2 4.42Å; L381-L397 HydrophobicContact CD1-CG 4.25Å; L381-L397 HydrophobicContact CD2-CD2 4.04Å; L381-A401 HydrophobicContact CB-CB 4.31Å; L381-A401 HydrophobicContact CD2-CB 3.87Å; L381-I403 HydrophobicContact CD2-CG1 4.41Å; L381-P413 HydrophobicContact CD2-CB 4.22Å; L381-P413 HydrophobicContact CD2-CG 3.78Å; L381-P413 HydrophobicContact CG-CB 4.11Å; L381-P413 HydrophobicContact CG-CG 3.92Å
382H96.8Very high94Very high0 Ų038.4 Ų38.40%017%0.172CC..Hα-helixtrans-60.5-40.8174.4-68.782.3000111.9F378 T379 K386 M405 T407 L411 P413F378-H382 HydrophobicContact CB-CB 4.24Å; F378-H382 HydrophobicContact CD1-CB 3.57Å; F378-H382 HydrophobicContact CE1-CB 4.25Å; F378-H382 HydrophobicContact CG-CB 4.18Å; T379-H382 PolarHBondContact N-ND1 3.12Å; T379-H382 WeakPolarHBondContact O-CB 3.38Å; T379-H382 PolarHBondContact O-N 3.27Å; T379-H382 PolarHBondContact OG1-N 2.95Å; T379-H382 PolarHBondContact OG1-ND1 3.43Å; H382-K386 WeakPolarHBondContact O-CB 3.43Å; H382-K386 PolarHBondContact O-N 3.35Å; H382-M405 PolarHBondContact CE1-O 3.34Å; H382-M405 PolarHBondContact NE2-O 2.93Å; H382-T407 PolarHBondContact NE2-N 3.38Å; H382-L411 PolarHBondContact CD2-O 3.41Å; H382-L411 PolarHBondContact NE2-O 3.18Å; H382-P413 WeakPolarHBondContact NE2-CD 3.41Å
383I96Very high94.2Very high19 Ų1938.3 Ų38.310%0.09717%0.171CC..Hα-helixtrans-68.9-45.3179.6-67.6-170.7000110.8L345 H349 A352 H353 F378 T379 P380 L381 C385 K386 K387L345-I383 HydrophobicContact CD2-CD1 4.08Å; H349-I383 HydrophobicContact CB-CD1 4.24Å; A352-I383 HydrophobicContact CB-CG2 4.42Å; H353-I383 HydrophobicContact CB-CG2 3.66Å; H353-I383 VanDerWaalsContact N-CG2 3.28Å; F378-I383 HydrophobicContact CB-CD1 4.43Å; F378-I383 HydrophobicContact CB-CG1 4.02Å; F378-I383 HydrophobicContact CD1-CG1 4.06Å; F378-I383 HydrophobicContact CG-CG1 4.48Å; T379-I383 PolarHBondContact O-N 3.48Å; P380-I383 PolarHBondContact O-N 3.18Å; L381-I383 VanDerWaalsContact C-N 3.3Å; L381-I383 PolarHBondContact O-N 3.22Å; I383-C385 VanDerWaalsContact C-N 3.3Å; I383-C385 PolarHBondContact O-N 2.85Å; I383-K386 PolarHBondContact O-N 2.9Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 PolarHBondContact O-N 3.18Å
384A96.7Very high94.2Very high0 Ų039.6 Ų39.60%018%0.179CC..Hα-helixtrans-60.7-39.5176.300000111.4A352 P380 L381 K387 Q388 K389 V392 I393 L396A352-A384 HydrophobicContact CB-CB 4.25Å; P380-A384 WeakPolarHBondContact O-CB 3.26Å; P380-A384 PolarHBondContact O-N 3.23Å; L381-A384 PolarHBondContact O-N 2.89Å; A384-K387 CarbonylContact O-C 3.54Å; A384-K387 PolarHBondContact O-N 2.84Å; A384-Q388 WeakPolarHBondContact O-CA 3.35Å; A384-Q388 PolarHBondContact O-N 3.46Å; A384-K389 PolarHBondContact O-N 3.49Å; A384-V392 HydrophobicContact CB-CB 4.34Å; A384-V392 HydrophobicContact CB-CG1 4.28Å; A384-I393 HydrophobicContact CB-CG1 3.62Å; A384-L396 HydrophobicContact CB-CD1 4.22Å
385C96.3Very high94.5Very high0 Ų039.2 Ų39.20%018%0.175CC..Hα-helixtrans-63-49171.6-65.10000111.8L381 I383 K387 Q388 I393 V416 I425L381-C385 WeakPolarHBondContact O-CB 3.25Å; L381-C385 PolarHBondContact O-N 3.27Å; L381-C385 PolarHBondContact O-SG 3.48Å; I383-C385 VanDerWaalsContact C-N 3.3Å; I383-C385 PolarHBondContact O-N 2.85Å; C385-K387 PolarHBondContact O-N 3.16Å; C385-Q388 PolarHBondContact O-N 3.16Å; C385-Q388 VanDerWaalsContact O-N 3.12Å; C385-I393 HydrophobicContact CB-CD1 4.46Å; C385-V416 HydrophobicContact CB-CG1 4.42Å; C385-I425 HydrophobicContact CB-CG2 4.31Å
386K95.1Very high95Very high109 Ų10938 Ų3847%0.47417%0.169SC..Hα-helixtrans-59.4-32.6177.9-172.9175178.7179.70113F378 H382 I383 V416 I420F378-K386 HydrophobicContact CE1-CD 4.13Å; H382-K386 WeakPolarHBondContact O-CB 3.43Å; H382-K386 PolarHBondContact O-N 3.35Å; I383-K386 PolarHBondContact O-N 2.9Å; K386-V416 HydrophobicContact CB-CG1 3.75Å; K386-V416 HydrophobicContact CG-CG1 4.42Å; K386-I420 HydrophobicContact CG-CD1 4.22Å; K386-I420 HydrophobicContact CG-CG1 4.49Å
387K95.1Very high95.5Very high88 Ų8835.7 Ų35.738%0.38316%0.157SC..THydrogen-bonded Turntrans-98.35-178.7-68.1-84.2161.6158.60113.1H353 I383 A384 C385 K389H353-K387 VanDerWaalsContact NE2-CE 3.26Å; H353-K387 WeakPolarHBondContact NE2-CE 3.46Å; H353-K387 PolarHBondContact NE2-NZ 3.19Å; H353-K387 WeakPolarHBondContact O-CG 3.05Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 PolarHBondContact O-N 3.18Å; A384-K387 CarbonylContact O-C 3.54Å; A384-K387 PolarHBondContact O-N 2.84Å; C385-K387 PolarHBondContact O-N 3.16Å; K387-K389 VanDerWaalsContact C-N 3.32Å; K387-K389 HydrophobicContact CB-CG 3.88Å; K387-K389 VanDerWaalsContact O-CD 3.26Å; K387-K389 WeakPolarHBondContact O-CD 3.35Å; K387-K389 WeakPolarHBondContact O-CE 3.46Å; K387-K389 WeakPolarHBondContact O-CG 3.34Å; K387-K389 PolarHBondContact O-N 2.88Å
388Q94Very high95.8Very high98 Ų9842.3 Ų42.346%0.45819%0.188SC..THydrogen-bonded Turntrans50.842.2-178.6-54.1-166.719.700114.6A384 C385 I390 I420 I425A384-Q388 WeakPolarHBondContact O-CA 3.35Å; A384-Q388 PolarHBondContact O-N 3.46Å; C385-Q388 PolarHBondContact O-N 3.16Å; C385-Q388 VanDerWaalsContact O-N 3.12Å; Q388-I390 PolarHBondContact O-N 3.33Å; Q388-I420 HydrophobicContact CG-CG2 4.03Å; Q388-I425 HydrophobicContact CB-CD1 3.8Å; Q388-I425 HydrophobicContact CG-CD1 3.88Å
389K95.1Very high95.8Very high56 Ų5643.9 Ų43.924%0.24319%0.193CC..  trans-95.368.3-175.6-55.4-53.6176.6-169.20111.4C354 A384 K387 R391 V392 I393 L1719C354-K389 WeakPolarHBondContact O-CD 3.47Å; C354-K389 WeakPolarHBondContact O-CE 3.32Å; C354-K389 WeakPolarHBondContact O-CG 3.21Å; A384-K389 PolarHBondContact O-N 3.49Å; K387-K389 VanDerWaalsContact C-N 3.32Å; K387-K389 HydrophobicContact CB-CG 3.88Å; K387-K389 VanDerWaalsContact O-CD 3.26Å; K387-K389 WeakPolarHBondContact O-CD 3.35Å; K387-K389 WeakPolarHBondContact O-CE 3.46Å; K387-K389 WeakPolarHBondContact O-CG 3.34Å; K387-K389 PolarHBondContact O-N 2.88Å; K389-R391 PolarHBondContact O-N 3.04Å; K389-V392 HydrophobicContact CB-CB 4.47Å; K389-V392 WeakPolarHBondContact O-CA 3.29Å; K389-V392 PolarHBondContact O-N 3.3Å; K389-I393 PolarHBondContact O-N 2.91Å; K389-I393 VanDerWaalsContact O-N 3.11Å; K389-L1719 HydrophobicContact CD-CD1 4.33Å
390I94Very high95.6Very high54 Ų5450.4 Ų50.428%0.27723%0.228SC..Hα-helixtrans-44.5-51.9-172.2-60.2174.6000113Q388 V392 I393 E394 E424 I425 L428Q388-I390 PolarHBondContact O-N 3.33Å; I390-V392 PolarHBondContact O-N 2.85Å; I390-I393 CarbonylContact O-C 3.09Å; I390-I393 WeakPolarHBondContact O-CA 3.38Å; I390-I393 WeakPolarHBondContact O-CB 3.38Å; I390-I393 PolarHBondContact O-N 2.94Å; I390-E394 HydrophobicContact CG2-CG 4.12Å; I390-E394 WeakPolarHBondContact O-CG 3.41Å; I390-E394 PolarHBondContact O-N 2.91Å; I390-E424 WeakPolarHBondContact CD1-OE2 3.36Å; I390-I425 HydrophobicContact CG1-CD1 4.35Å; I390-I425 HydrophobicContact CG1-CG1 4.02Å; I390-L428 HydrophobicContact CG2-CD2 4.32Å
391R95.7Very high95.5Very high185 Ų18550.8 Ų50.870%0.69823%0.231SC*.Hα-helixtrans-59.3-17.1178.1-66.5-172.4-174.2171.33.4115.9T357 K389 E394 L395T357-R391 HydrophobicContact CG2-CB 4.11Å; K389-R391 PolarHBondContact O-N 3.04Å; R391-E394 VanDerWaalsContact CA-OE2 3.3Å; R391-E394 WeakPolarHBondContact CA-OE2 3.29Å; R391-L395 WeakPolarHBondContact O-CB 3.33Å
392V95.9Very high95.3Very high1 Ų156.2 Ų56.21%0.00626%0.256CS..Hα-helixtrans-96.1-29.7171.3-175.50000111.2A352 G355 N356 A360 A384 K389 I390 L395 L396A352-V392 HydrophobicContact CB-CG1 4.14Å; G355-V392 VanDerWaalsContact C-CG2 3.44Å; N356-V392 VanDerWaalsContact N-CG2 3.29Å; A360-V392 HydrophobicContact CB-CG1 4.11Å; A384-V392 HydrophobicContact CB-CB 4.34Å; A384-V392 HydrophobicContact CB-CG1 4.28Å; K389-V392 HydrophobicContact CB-CB 4.47Å; K389-V392 WeakPolarHBondContact O-CA 3.29Å; K389-V392 PolarHBondContact O-N 3.3Å; I390-V392 PolarHBondContact O-N 2.85Å; V392-L395 PolarHBondContact O-N 2.9Å; V392-L396 HydrophobicContact CG1-CD1 3.78Å; V392-L396 HydrophobicContact CG1-CG 4.01Å; V392-L396 VanDerWaalsContact O-CB 3.26Å; V392-L396 WeakPolarHBondContact O-CB 3.42Å; V392-L396 WeakPolarHBondContact O-CD1 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.16Å; V392-L396 PolarHBondContact O-N 3.36Å
393I96.8Very high95.1Very high0 Ų057 Ų570%026%0.26CS..Hα-helixtrans-61.3-51.7170.6-58173.5000109.4L381 A384 C385 K389 I390 L395 L396 L397 I425 L428 L429L381-I393 HydrophobicContact CD1-CB 4.37Å; L381-I393 HydrophobicContact CD1-CG2 3.78Å; A384-I393 HydrophobicContact CB-CG1 3.62Å; C385-I393 HydrophobicContact CB-CD1 4.46Å; K389-I393 PolarHBondContact O-N 2.91Å; K389-I393 VanDerWaalsContact O-N 3.11Å; I390-I393 CarbonylContact O-C 3.09Å; I390-I393 WeakPolarHBondContact O-CA 3.38Å; I390-I393 WeakPolarHBondContact O-CB 3.38Å; I390-I393 PolarHBondContact O-N 2.94Å; I393-L395 PolarHBondContact O-N 3.31Å; I393-L396 PolarHBondContact O-N 3.06Å; I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 WeakPolarHBondContact O-CB 3.32Å; I393-L397 VanDerWaalsContact O-CG 3.24Å; I393-L397 WeakPolarHBondContact O-CG 3.44Å; I393-L397 PolarHBondContact O-N 3.45Å; I393-I425 HydrophobicContact CD1-CB 4.42Å; I393-I425 HydrophobicContact CD1-CD1 3.8Å; I393-I425 HydrophobicContact CD1-CG1 3.86Å; I393-I425 HydrophobicContact CD1-CG2 3.7Å; I393-L428 HydrophobicContact CB-CD2 4.31Å; I393-L428 HydrophobicContact CG2-CD2 3.77Å; I393-L429 HydrophobicContact CG2-CD2 4.48Å
394E96Very high94.8Very high79 Ų7958.9 Ų58.937%0.36927%0.271SS..Hα-helixtrans-54.6-49.3175.2-65.8169.9140.100111.6I390 R391 L397 Q398 L428I390-E394 HydrophobicContact CG2-CG 4.12Å; I390-E394 WeakPolarHBondContact O-CG 3.41Å; I390-E394 PolarHBondContact O-N 2.91Å; R391-E394 VanDerWaalsContact CA-OE2 3.3Å; R391-E394 WeakPolarHBondContact CA-OE2 3.29Å; E394-L397 PolarHBondContact O-N 3.47Å; E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.06Å; E394-Q398 PolarHBondContact O-N 3.47Å; E394-L428 HydrophobicContact CG-CD2 3.93Å
395L96.4Very high94.6Very high3 Ų360.7 Ų60.72%0.01628%0.279CS..Hα-helixtrans-66.8-40-178.8-177.868.3000113T357 A360 R361 L364 R391 V392 I393 L397 Q398 Y399T357-L395 HydrophobicContact CG2-CD2 4.17Å; T357-L395 WeakPolarHBondContact O-CD2 3.41Å; A360-L395 HydrophobicContact CB-CD2 3.74Å; R361-L395 HydrophobicContact CB-CD1 4.31Å; R361-L395 HydrophobicContact CB-CD2 4.03Å; L364-L395 HydrophobicContact CD1-CG 4.29Å; R391-L395 WeakPolarHBondContact O-CB 3.33Å; V392-L395 PolarHBondContact O-N 2.9Å; I393-L395 PolarHBondContact O-N 3.31Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L395-Q398 WeakPolarHBondContact O-CB 3.27Å; L395-Q398 PolarHBondContact O-N 2.98Å; L395-Y399 HydrophobicContact CD1-CD2 4.18Å; L395-Y399 HydrophobicContact CD1-CE2 3.66Å; L395-Y399 HydrophobicContact CG-CE2 4.45Å; L395-Y399 VanDerWaalsContact O-CD2 3.28Å; L395-Y399 WeakPolarHBondContact O-CD2 3.21Å; L395-Y399 PolarHBondContact O-N 2.95Å
396L97.1Very high94.4Very high0 Ų062.7 Ų62.70%029%0.292CS..Hα-helixtrans-65.3-40.4175.1-72.5168000110.6L348 A352 L364 V370 P380 L381 A384 V392 I393 Q398 Y399 A401L348-L396 HydrophobicContact CD1-CD2 4.22Å; L348-L396 HydrophobicContact CD2-CD2 4.1Å; L348-L396 HydrophobicContact CG-CD2 4.41Å; A352-L396 HydrophobicContact CB-CD1 4.49Å; L364-L396 HydrophobicContact CD1-CD2 4.21Å; V370-L396 HydrophobicContact CG2-CB 4.3Å; V370-L396 HydrophobicContact CG2-CD2 3.63Å; P380-L396 VanDerWaalsContact C-CD1 3.47Å; P380-L396 HydrophobicContact CB-CD1 3.74Å; P380-L396 HydrophobicContact CB-CD2 3.86Å; L381-L396 HydrophobicContact CB-CD1 4.24Å; L381-L396 HydrophobicContact CD1-CB 4.3Å; L381-L396 HydrophobicContact CD1-CD1 4.49Å; A384-L396 HydrophobicContact CB-CD1 4.22Å; V392-L396 HydrophobicContact CG1-CD1 3.78Å; V392-L396 HydrophobicContact CG1-CG 4.01Å; V392-L396 VanDerWaalsContact O-CB 3.26Å; V392-L396 WeakPolarHBondContact O-CB 3.42Å; V392-L396 WeakPolarHBondContact O-CD1 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.16Å; V392-L396 PolarHBondContact O-N 3.36Å; I393-L396 PolarHBondContact O-N 3.06Å; L396-Q398 VanDerWaalsContact C-N 3.32Å; L396-Q398 PolarHBondContact O-N 2.94Å; L396-Y399 CarbonylContact O-C 3.25Å; L396-Y399 PolarHBondContact O-N 2.9Å; L396-A401 VanDerWaalsContact C-CB 3.5Å; L396-A401 HydrophobicContact CB-CB 3.93Å; L396-A401 WeakPolarHBondContact O-CB 3.43Å; L396-A401 PolarHBondContact O-N 3.08Å
397L95.2Very high94.3Very high18 Ų1857.7 Ų57.79%0.09427%0.27CS..Hα-helixtrans-65.3-32.9175-68.3168.7000112.4L381 I393 E394 L395 Y399 D400 I403 L428 H432L381-L397 HydrophobicContact CD1-CD2 4.42Å; L381-L397 HydrophobicContact CD1-CG 4.25Å; L381-L397 HydrophobicContact CD2-CD2 4.04Å; I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 WeakPolarHBondContact O-CB 3.32Å; I393-L397 VanDerWaalsContact O-CG 3.24Å; I393-L397 WeakPolarHBondContact O-CG 3.44Å; I393-L397 PolarHBondContact O-N 3.45Å; E394-L397 PolarHBondContact O-N 3.47Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L397-Y399 VanDerWaalsContact C-N 3.26Å; L397-Y399 PolarHBondContact O-N 3.44Å; L397-D400 PolarHBondContact O-N 2.9Å; L397-I403 HydrophobicContact CD2-CB 4.24Å; L397-I403 HydrophobicContact CD2-CD1 3.74Å; L397-I403 HydrophobicContact CD2-CG1 3.99Å; L397-L428 HydrophobicContact CD1-CG 4.38Å; L397-H432 HydrophobicContact CD1-CB 4.22Å; L397-H432 HydrophobicContact CD2-CB 4.27Å
398Q94.6Very high93.9Very high138 Ų13855.2 Ų55.265%0.64526%0.26SS*.Hα-helixtrans-66.7-21.8173.2-75.2168.65.400114E394 L395 L396E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.06Å; E394-Q398 PolarHBondContact O-N 3.47Å; L395-Q398 WeakPolarHBondContact O-CB 3.27Å; L395-Q398 PolarHBondContact O-N 2.98Å; L396-Q398 VanDerWaalsContact C-N 3.32Å; L396-Q398 PolarHBondContact O-N 2.94Å
399Y95.1Very high93.5Very high72 Ų7253.1 Ų53.128%0.28226%0.257SS..THydrogen-bonded Turntrans-108.935.8176.2-70.7-115.2000111R361 L364 D365 V370 L395 L396 L397 A401R361-Y399 WeakPolarHBondContact CG-OH 3.38Å; L364-Y399 HydrophobicContact CB-CD1 3.46Å; L364-Y399 VanDerWaalsContact CB-CD1 3.46Å; L364-Y399 HydrophobicContact CB-CE1 3.52Å; L364-Y399 HydrophobicContact CB-CG 3.96Å; L364-Y399 HydrophobicContact CD1-CD1 4.3Å; L364-Y399 HydrophobicContact CD1-CD2 3.97Å; L364-Y399 HydrophobicContact CD1-CE2 4.38Å; L364-Y399 HydrophobicContact CD1-CG 3.9Å; L364-Y399 HydrophobicContact CG-CD1 4.3Å; L364-Y399 HydrophobicContact CG-CG 4.35Å; D365-Y399 PolarHBondContact OD1-OH 3.43Å; V370-Y399 WeakPolarHBondContact CG1-O 3.41Å; L395-Y399 HydrophobicContact CD1-CD2 4.18Å; L395-Y399 HydrophobicContact CD1-CE2 3.66Å; L395-Y399 HydrophobicContact CG-CE2 4.45Å; L395-Y399 VanDerWaalsContact O-CD2 3.28Å; L395-Y399 WeakPolarHBondContact O-CD2 3.21Å; L395-Y399 PolarHBondContact O-N 2.95Å; L396-Y399 CarbonylContact O-C 3.25Å; L396-Y399 PolarHBondContact O-N 2.9Å; L397-Y399 VanDerWaalsContact C-N 3.26Å; L397-Y399 PolarHBondContact O-N 3.44Å; Y399-A401 PolarHBondContact O-N 2.9Å
400D92.4Very high93.3Very high138 Ų13850.7 Ų50.774%0.73825%0.247SC*.THydrogen-bonded Turntrans58.340.1174.2-64.1-46.2000115.6N371 L397 Q402N371-D400 PolarHBondContact ND2-O 3.21Å; N371-D400 VanDerWaalsContact ND2-O 3.16Å; L397-D400 PolarHBondContact O-N 2.9Å; D400-Q402 PolarHBondContact O-N 3.32Å
401A94.6Very high93.3Very high8 Ų850 Ų507%0.06624%0.244CC..  trans-59.8122.8166.800000111.5V370 L381 L396 Y399 I403V370-A401 HydrophobicContact CG2-CB 3.82Å; L381-A401 HydrophobicContact CB-CB 4.31Å; L381-A401 HydrophobicContact CD2-CB 3.87Å; L396-A401 VanDerWaalsContact C-CB 3.5Å; L396-A401 HydrophobicContact CB-CB 3.93Å; L396-A401 WeakPolarHBondContact O-CB 3.43Å; L396-A401 PolarHBondContact O-N 3.08Å; Y399-A401 PolarHBondContact O-N 2.9Å; A401-I403 PolarHBondContact O-N 3.45Å
402Q92.8Very high93.3Very high115 Ų11541.2 Ų41.254%0.53721%0.21SC..  trans-70.692.7-177-72.3179.811.500111.1N371 D400 N404 M405N371-Q402 WeakPolarHBondContact OD1-CB 3.19Å; N371-Q402 PolarHBondContact OD1-N 3.41Å; D400-Q402 PolarHBondContact O-N 3.32Å; Q402-N404 PolarHBondContact O-N 3.03Å; Q402-M405 HydrophobicContact CB-CB 4.2Å; Q402-M405 HydrophobicContact CB-CE 4.12Å; Q402-M405 WeakPolarHBondContact O-CB 3.46Å; Q402-M405 PolarHBondContact O-N 3.06Å
403I93.2Very high93.3Very high15 Ų1541.1 Ų41.18%0.07721%0.21CC..THydrogen-bonded Turntrans-60.6-19.9-170.6-156.2170.1000115.8L381 L397 A401 P413 L429 H432 A434L381-I403 HydrophobicContact CD2-CG1 4.41Å; L397-I403 HydrophobicContact CD2-CB 4.24Å; L397-I403 HydrophobicContact CD2-CD1 3.74Å; L397-I403 HydrophobicContact CD2-CG1 3.99Å; A401-I403 PolarHBondContact O-N 3.45Å; I403-P413 WeakPolarHBondContact O-CD 3.48Å; I403-L429 HydrophobicContact CD1-CB 4.28Å; I403-L429 HydrophobicContact CD1-CD2 3.86Å; I403-L429 WeakPolarHBondContact CD1-O 3.36Å; I403-L429 HydrophobicContact CG1-CD2 3.67Å; I403-H432 HydrophobicContact CD1-CB 3.41Å; I403-H432 VanDerWaalsContact CD1-CB 3.41Å; I403-H432 WeakPolarHBondContact CD1-O 3.42Å; I403-A434 HydrophobicContact CD1-CB 4.04Å; I403-A434 HydrophobicContact CG1-CB 4.03Å
404N89.7Confident93.3Very high60 Ų6041.1 Ų41.132%0.32121%0.21SC..THydrogen-bonded Turntrans-107.42.6-179.7-69.1-54.9000113.5Q402 G433 A434 N435 Q438Q402-N404 PolarHBondContact O-N 3.03Å; N404-G433 PolarHBondContact ND2-O 2.89Å; N404-A434 WeakPolarHBondContact OD1-CA 3.47Å; N404-N435 PolarHBondContact OD1-N 3.39Å; N404-Q438 PolarHBondContact O-NE2 3Å
405M91.3Very high93.3Very high37 Ų3737.4 Ų37.418%0.18219%0.193CC..  trans-62.9148.2172.4-162.9-165.8-6300109.9N371 R373 T379 H382 Q402 S412 P413N371-M405 HydrophobicContact CB-CE 3.76Å; R373-M405 HydrophobicContact CG-SD 4.09Å; R373-M405 PolarHBondContact NH1-SD 2.8Å; T379-M405 HydrophobicContact CG2-CE 4.19Å; T379-M405 HydrophobicContact CG2-SD 3.42Å; T379-M405 WeakPolarHBondContact CG2-SD 3.35Å; H382-M405 PolarHBondContact CE1-O 3.34Å; H382-M405 PolarHBondContact NE2-O 2.93Å; Q402-M405 HydrophobicContact CB-CB 4.2Å; Q402-M405 HydrophobicContact CB-CE 4.12Å; Q402-M405 WeakPolarHBondContact O-CB 3.46Å; Q402-M405 PolarHBondContact O-N 3.06Å; M405-S412 WeakPolarHBondContact O-CA 3.44Å; M405-S412 WeakPolarHBondContact O-CB 3.49Å; M405-P413 VanDerWaalsContact O-CD 3.25Å; M405-P413 WeakPolarHBondContact O-CD 3.16Å
406T93Very high93.3Very high43 Ų4337.7 Ų37.726%0.26420%0.195SC..  trans-117.6151.9-177.2570000113.6R373 G410 L411R373-T406 VanDerWaalsContact CZ-O 3.28Å; R373-T406 PolarHBondContact NH1-O 3.14Å; R373-T406 PolarHBondContact NH2-O 2.94Å; T406-G410 WeakPolarHBondContact CG2-O 3.19Å; T406-L411 CarbonylContact C-O 3.6Å; T406-L411 VanDerWaalsContact CA-O 3.28Å; T406-L411 WeakPolarHBondContact CA-O 3.36Å
407T91.8Very high93.2Very high3 Ų337.7 Ų37.72%0.01820%0.195CC..  trans-57.5170.516065.10000111.7N376 F378 H382 S409 G410 L411N376-T407 WeakPolarHBondContact O-CB 3.47Å; F378-T407 HydrophobicContact CD1-CG2 4.4Å; F378-T407 HydrophobicContact CD2-CG2 3.5Å; F378-T407 VanDerWaalsContact CD2-CG2 3.5Å; F378-T407 HydrophobicContact CE1-CG2 4.39Å; F378-T407 HydrophobicContact CE2-CG2 3.52Å; F378-T407 HydrophobicContact CG-CG2 3.96Å; F378-T407 HydrophobicContact CZ-CG2 3.98Å; H382-T407 PolarHBondContact NE2-N 3.38Å; T407-S409 PolarHBondContact O-N 3.3Å; T407-S409 PolarHBondContact OG1-N 3.28Å; T407-S409 PolarHBondContact OG1-OG 3.26Å; T407-G410 WeakPolarHBondContact O-CA 3.39Å; T407-G410 PolarHBondContact O-N 2.93Å; T407-G410 PolarHBondContact OG1-N 3.35Å; T407-L411 HydrophobicContact CG2-CB 4.12Å; T407-L411 WeakPolarHBondContact CG2-O 3.32Å; T407-L411 PolarHBondContact N-O 2.95Å; T407-L411 WeakPolarHBondContact OG1-CB 3.33Å; T407-L411 PolarHBondContact OG1-N 3.46Å; T407-L411 PolarHBondContact OG1-O 3.29Å
408E87.6Confident93.3Very high36 Ų3636.9 Ų36.917%0.16819%0.19CC..THydrogen-bonded Turntrans-56.7-34.2172.7-58.9-47.8120.400112.5R373 N376 G377 G410 Y1451R373-E408 IonicContact CZ-OE1 2.82Å; R373-E408 IonicContact NE-OE1 3.56Å; R373-E408 IonicContact NH2-OE1 2.73Å; R373-E408 PolarHBondContact NH2-OE1 3.01Å; N376-E408 PolarHBondContact O-N 3.35Å; G377-E408 WeakPolarHBondContact CA-OE1 3.39Å; E408-G410 PolarHBondContact O-N 3.31Å; E408-Y1451 HydrophobicContact CB-CD1 4.12Å; E408-Y1451 HydrophobicContact CB-CD2 3.61Å; E408-Y1451 HydrophobicContact CB-CE1 4.38Å; E408-Y1451 HydrophobicContact CB-CE2 3.88Å; E408-Y1451 HydrophobicContact CB-CG 3.7Å; E408-Y1451 HydrophobicContact CG-CD2 4.05Å; E408-Y1451 HydrophobicContact CG-CE2 3.82Å; E408-Y1451 VanDerWaalsContact O-CB 3.3Å; E408-Y1451 WeakPolarHBondContact O-CB 3.23Å
409S85.6Confident93.3Very high55 Ų5533.5 Ų33.539%0.38517%0.174SC..THydrogen-bonded Turntrans-76.72.9174.453.60000114.9T407 L411 M441T407-S409 PolarHBondContact O-N 3.3Å; T407-S409 PolarHBondContact OG1-N 3.28Å; T407-S409 PolarHBondContact OG1-OG 3.26Å; S409-L411 WeakPolarHBondContact OG-CD1 3.49Å; S409-M441 WeakPolarHBondContact O-CB 3.35Å; S409-M441 WeakPolarHBondContact O-CG 3.5Å; S409-M441 PolarHBondContact O-N 2.89Å
410G89.5Confident93.1Very high4 Ų432.7 Ų32.74%0.04117%0.174CC..SBendtrans79.88.2-178.500000115T406 T407 E408 S412 T440T406-G410 WeakPolarHBondContact CG2-O 3.19Å; T407-G410 WeakPolarHBondContact O-CA 3.39Å; T407-G410 PolarHBondContact O-N 2.93Å; T407-G410 PolarHBondContact OG1-N 3.35Å; E408-G410 PolarHBondContact O-N 3.31Å; G410-S412 PolarHBondContact O-N 3.4Å; G410-T440 WeakPolarHBondContact O-CA 3.34Å
411L94.9Very high93Very high40 Ų4027 Ų2721%0.20915%0.147CC..  trans-74.2118.9175.8-58163.4000108.6H382 T406 T407 S409 H415 V416 T440 L449H382-L411 PolarHBondContact CD2-O 3.41Å; H382-L411 PolarHBondContact NE2-O 3.18Å; T406-L411 CarbonylContact C-O 3.6Å; T406-L411 VanDerWaalsContact CA-O 3.28Å; T406-L411 WeakPolarHBondContact CA-O 3.36Å; T407-L411 HydrophobicContact CG2-CB 4.12Å; T407-L411 WeakPolarHBondContact CG2-O 3.32Å; T407-L411 PolarHBondContact N-O 2.95Å; T407-L411 WeakPolarHBondContact OG1-CB 3.33Å; T407-L411 PolarHBondContact OG1-N 3.46Å; T407-L411 PolarHBondContact OG1-O 3.29Å; S409-L411 WeakPolarHBondContact OG-CD1 3.49Å; L411-H415 HydrophobicContact CB-CB 4.08Å; L411-H415 HydrophobicContact CD2-CB 3.89Å; L411-V416 HydrophobicContact CB-CG2 4.07Å; L411-T440 HydrophobicContact CD2-CG2 3.64Å; L411-T440 HydrophobicContact CG-CG2 4.4Å; L411-L449 HydrophobicContact CD2-CD1 3.43Å; L411-L449 VanDerWaalsContact CD2-CD1 3.43Å
412S95.8Very high92.6Very high0 Ų026.8 Ų26.80%015%0.146CC..  trans-82.7170165.260.90000111.5M405 G410 L414 H415 V416 Q438M405-S412 WeakPolarHBondContact O-CA 3.44Å; M405-S412 WeakPolarHBondContact O-CB 3.49Å; G410-S412 PolarHBondContact O-N 3.4Å; S412-L414 PolarHBondContact O-N 3Å; S412-L414 VanDerWaalsContact O-N 3.13Å; S412-H415 PolarHBondContact N-ND1 2.85Å; S412-H415 WeakPolarHBondContact O-CA 3.24Å; S412-H415 WeakPolarHBondContact O-CB 3.24Å; S412-H415 PolarHBondContact O-N 3.42Å; S412-H415 PolarHBondContact OG-ND1 3.48Å; S412-V416 PolarHBondContact O-N 3.01Å; S412-Q438 PolarHBondContact OG-OE1 3.08Å
413P96Very high92.4Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-51.1-36.4174.8-28.835.6000113L381 H382 I403 M405 V416 A417 L429L381-P413 HydrophobicContact CD2-CB 4.22Å; L381-P413 HydrophobicContact CD2-CG 3.78Å; L381-P413 HydrophobicContact CG-CB 4.11Å; L381-P413 HydrophobicContact CG-CG 3.92Å; H382-P413 WeakPolarHBondContact NE2-CD 3.41Å; I403-P413 WeakPolarHBondContact O-CD 3.48Å; M405-P413 VanDerWaalsContact O-CD 3.25Å; M405-P413 WeakPolarHBondContact O-CD 3.16Å; P413-V416 PolarHBondContact O-N 3.18Å; P413-A417 WeakPolarHBondContact O-CB 3.47Å; P413-A417 PolarHBondContact O-N 3.01Å; P413-L429 HydrophobicContact CB-CD1 4.06Å; P413-L429 HydrophobicContact CB-CD2 4.07Å
414L97Very high92.4Very high0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-66.9-40.6176.1-172.964.8000112.5S412 V416 A417 A418 V426 L429 I430 A434 V436 A446 L462S412-L414 PolarHBondContact O-N 3Å; S412-L414 VanDerWaalsContact O-N 3.13Å; L414-V416 VanDerWaalsContact C-N 3.33Å; L414-V416 PolarHBondContact O-N 2.91Å; L414-A417 PolarHBondContact O-N 3.41Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.3Å; L414-V426 HydrophobicContact CD1-CB 4.32Å; L414-V426 HydrophobicContact CD1-CG1 3.99Å; L414-V426 HydrophobicContact CD1-CG2 4.3Å; L414-L429 HydrophobicContact CB-CD1 4.43Å; L414-L429 HydrophobicContact CD1-CB 4.17Å; L414-L429 HydrophobicContact CD1-CD1 4.37Å; L414-I430 HydrophobicContact CD1-CD1 4.22Å; L414-I430 HydrophobicContact CD1-CG1 3.92Å; L414-I430 HydrophobicContact CD2-CG1 4.2Å; L414-A434 HydrophobicContact CB-CB 4.06Å; L414-A434 HydrophobicContact CD1-CB 4.46Å; L414-A434 HydrophobicContact CD2-CB 3.92Å; L414-A434 HydrophobicContact CG-CB 4.37Å; L414-V436 HydrophobicContact CD2-CG2 4.46Å; L414-A446 HydrophobicContact CD2-CB 4.43Å; L414-A446 HydrophobicContact CG-CB 4.24Å; L414-L462 HydrophobicContact CD1-CD2 4.37Å; L414-L462 HydrophobicContact CD2-CD2 4.35Å; L414-L462 HydrophobicContact CG-CD2 4.46Å
415H96.6Very high92.6Very high1 Ų126.2 Ų26.21%0.00515%0.145CC..Hα-helixtrans-62.6-40.3173-73.495.2000111.9L411 S412 F419 Q438 T440 E444 A446 L449L411-H415 HydrophobicContact CB-CB 4.08Å; L411-H415 HydrophobicContact CD2-CB 3.89Å; S412-H415 PolarHBondContact N-ND1 2.85Å; S412-H415 WeakPolarHBondContact O-CA 3.24Å; S412-H415 WeakPolarHBondContact O-CB 3.24Å; S412-H415 PolarHBondContact O-N 3.42Å; S412-H415 PolarHBondContact OG-ND1 3.48Å; H415-F419 WeakPolarHBondContact O-CB 3.26Å; H415-F419 PolarHBondContact O-N 3.03Å; H415-Q438 PolarHBondContact CE1-O 2.84Å; H415-Q438 PolarHBondContact NE2-O 3.49Å; H415-Q438 VanDerWaalsContact NE2-O 3.12Å; H415-T440 WeakPolarHBondContact CD2-CG2 3.48Å; H415-T440 PolarHBondContact NE2-N 3.32Å; H415-E444 PolarHBondContact NE2-O 3.45Å; H415-A446 PolarHBondContact CD2-N 3.48Å; H415-A446 VanDerWaalsContact CD2-N 3.33Å; H415-A446 PolarHBondContact NE2-N 3.05Å; H415-L449 HydrophobicContact CB-CD1 3.75Å
416V95.1Very high92.8Very high9 Ų924.4 Ų24.46%0.05514%0.136CC..Hα-helixtrans-66.5-491771760000110.8F378 C385 K386 L411 S412 P413 L414 A418 F419 I420F378-V416 HydrophobicContact CE1-CG2 4.39Å; C385-V416 HydrophobicContact CB-CG1 4.42Å; K386-V416 HydrophobicContact CB-CG1 3.75Å; K386-V416 HydrophobicContact CG-CG1 4.42Å; L411-V416 HydrophobicContact CB-CG2 4.07Å; S412-V416 PolarHBondContact O-N 3.01Å; P413-V416 PolarHBondContact O-N 3.18Å; L414-V416 VanDerWaalsContact C-N 3.33Å; L414-V416 PolarHBondContact O-N 2.91Å; V416-A418 VanDerWaalsContact C-N 3.31Å; V416-A418 PolarHBondContact O-N 3.45Å; V416-F419 PolarHBondContact O-N 2.9Å; V416-I420 HydrophobicContact CG1-CG1 4.27Å; V416-I420 VanDerWaalsContact O-CB 3.24Å; V416-I420 WeakPolarHBondContact O-CB 3.35Å; V416-I420 WeakPolarHBondContact O-CG1 3.32Å; V416-I420 PolarHBondContact O-N 3.23Å
417A96Very high92.9Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-62-38.3177.500000112.3P413 L414 I420 G421 G422 I425 V426 L429P413-A417 WeakPolarHBondContact O-CB 3.47Å; P413-A417 PolarHBondContact O-N 3.01Å; L414-A417 PolarHBondContact O-N 3.41Å; A417-I420 PolarHBondContact O-N 3.26Å; A417-G421 PolarHBondContact O-N 3.21Å; A417-G422 PolarHBondContact O-N 2.95Å; A417-I425 HydrophobicContact CB-CB 4.22Å; A417-I425 HydrophobicContact CB-CG2 3.63Å; A417-V426 HydrophobicContact CB-CG2 3.83Å; A417-L429 HydrophobicContact CB-CD1 3.85Å
418A96.3Very high93Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-69.8-39.4178.900000113.1L414 V416 V426 A446 A450 V458 L462L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.3Å; V416-A418 VanDerWaalsContact C-N 3.31Å; V416-A418 PolarHBondContact O-N 3.45Å; A418-V426 HydrophobicContact CB-CG2 4.37Å; A418-A446 HydrophobicContact CB-CB 4.03Å; A418-A450 HydrophobicContact CB-CB 4.46Å; A418-V458 HydrophobicContact CB-CG1 3.81Å; A418-L462 HydrophobicContact CB-CD1 3.98Å
419F94.6Very high93.4Very high68 Ų6825.4 Ų25.430%0.29814%0.138SC..Hα-helixtrans-67.5-42.8172.2-173.9-92.1000111.5H415 V416 G421 L449 N453H415-F419 WeakPolarHBondContact O-CB 3.26Å; H415-F419 PolarHBondContact O-N 3.03Å; V416-F419 PolarHBondContact O-N 2.9Å; F419-G421 VanDerWaalsContact C-N 3.28Å; F419-G421 PolarHBondContact O-N 2.9Å; F419-L449 HydrophobicContact CB-CB 4.22Å; F419-L449 HydrophobicContact CD2-CB 4.24Å; F419-N453 HydrophobicContact CD2-CB 3.82Å; F419-N453 HydrophobicContact CE2-CB 3.74Å; F419-N453 HydrophobicContact CG-CB 4.28Å; F419-N453 HydrophobicContact CZ-CB 4.14Å; F419-N453 WeakPolarHBondContact O-CB 3.13Å; F419-N453 PolarHBondContact O-ND2 3.09Å
420I92.2Very high93.8Very high55 Ų5524 Ų2428%0.28213%0.126SC..Hα-helixtrans-73.2-15.1-176-69.6-72.6000113.4K386 Q388 V416 A417K386-I420 HydrophobicContact CG-CD1 4.22Å; K386-I420 HydrophobicContact CG-CG1 4.49Å; Q388-I420 HydrophobicContact CG-CG2 4.03Å; V416-I420 HydrophobicContact CG1-CG1 4.27Å; V416-I420 VanDerWaalsContact O-CB 3.24Å; V416-I420 WeakPolarHBondContact O-CB 3.35Å; V416-I420 WeakPolarHBondContact O-CG1 3.32Å; V416-I420 PolarHBondContact O-N 3.23Å; A417-I420 PolarHBondContact O-N 3.26Å
421G89Confident94Very high17 Ų1730.3 Ų30.318%0.17515%0.154CC..THydrogen-bonded Turntrans85.827173.500000115.3A417 F419 P423A417-G421 PolarHBondContact O-N 3.21Å; F419-G421 VanDerWaalsContact C-N 3.28Å; F419-G421 PolarHBondContact O-N 2.9Å; G421-P423 WeakPolarHBondContact O-CD 3.44Å
422G86.8Confident93.8Very high5 Ų533 Ų335%0.05217%0.166CC..  trans-98.688.8179.500000112.9A417 E424 I425 V426A417-G422 PolarHBondContact O-N 2.95Å; G422-E424 VanDerWaalsContact C-N 3.34Å; G422-E424 PolarHBondContact O-N 3.36Å; G422-I425 PolarHBondContact O-N 2.76Å; G422-I425 VanDerWaalsContact O-N 3.15Å; G422-V426 WeakPolarHBondContact O-CG2 3.35Å; G422-V426 PolarHBondContact O-N 3.42Å
423P88.8Confident93.7Very high41 Ų4135.3 Ų35.327%0.26619%0.189SC..Hα-helixtrans-62.8-37.2-175.825.4-35.1000112.9G421 I425 V426 Q427 V458G421-P423 WeakPolarHBondContact O-CD 3.44Å; P423-I425 VanDerWaalsContact C-N 3.33Å; P423-I425 PolarHBondContact O-N 3.1Å; P423-V426 PolarHBondContact O-N 2.87Å; P423-Q427 WeakPolarHBondContact O-CG 3.43Å; P423-Q427 PolarHBondContact O-N 3.37Å; P423-V458 HydrophobicContact CB-CG2 4.39Å
424E92Very high93.6Very high133 Ų13335.6 Ų35.662%0.62119%0.191SC*.Hα-helixtrans-59.4-43.1174.5-64.3174-176.400111.7I390 G422 Q427 L428I390-E424 WeakPolarHBondContact CD1-OE2 3.36Å; G422-E424 VanDerWaalsContact C-N 3.34Å; G422-E424 PolarHBondContact O-N 3.36Å; E424-Q427 PolarHBondContact O-N 2.96Å; E424-L428 VanDerWaalsContact O-CB 3.27Å; E424-L428 WeakPolarHBondContact O-CB 3.46Å; E424-L428 PolarHBondContact O-N 3.45Å
425I95Very high93.3Very high3 Ų339.4 Ų39.42%0.01521%0.212CC..Hα-helixtrans-70.4-39.3178.3-60.7169.6000110.4C385 Q388 I390 I393 A417 G422 P423 L428 L429C385-I425 HydrophobicContact CB-CG2 4.31Å; Q388-I425 HydrophobicContact CB-CD1 3.8Å; Q388-I425 HydrophobicContact CG-CD1 3.88Å; I390-I425 HydrophobicContact CG1-CD1 4.35Å; I390-I425 HydrophobicContact CG1-CG1 4.02Å; I393-I425 HydrophobicContact CD1-CB 4.42Å; I393-I425 HydrophobicContact CD1-CD1 3.8Å; I393-I425 HydrophobicContact CD1-CG1 3.86Å; I393-I425 HydrophobicContact CD1-CG2 3.7Å; A417-I425 HydrophobicContact CB-CB 4.22Å; A417-I425 HydrophobicContact CB-CG2 3.63Å; G422-I425 PolarHBondContact O-N 2.76Å; G422-I425 VanDerWaalsContact O-N 3.15Å; P423-I425 VanDerWaalsContact C-N 3.33Å; P423-I425 PolarHBondContact O-N 3.1Å; I425-L428 PolarHBondContact O-N 2.85Å; I425-L429 HydrophobicContact CG2-CD1 3.85Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 VanDerWaalsContact O-CB 3.29Å; I425-L429 WeakPolarHBondContact O-CB 3.25Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.96Å
426V95.7Very high93.2Very high0 Ų039.9 Ų39.90%022%0.215CC..Hα-helixtrans-60.5-45.3173.9166.80000110.6L414 A417 A418 G422 P423 I430 V458 T461 L462L414-V426 HydrophobicContact CD1-CB 4.32Å; L414-V426 HydrophobicContact CD1-CG1 3.99Å; L414-V426 HydrophobicContact CD1-CG2 4.3Å; A417-V426 HydrophobicContact CB-CG2 3.83Å; A418-V426 HydrophobicContact CB-CG2 4.37Å; G422-V426 WeakPolarHBondContact O-CG2 3.35Å; G422-V426 PolarHBondContact O-N 3.42Å; P423-V426 PolarHBondContact O-N 2.87Å; V426-I430 HydrophobicContact CG1-CD1 3.78Å; V426-I430 WeakPolarHBondContact O-CB 3.19Å; V426-I430 WeakPolarHBondContact O-CD1 3.46Å; V426-I430 WeakPolarHBondContact O-CG1 3.42Å; V426-I430 PolarHBondContact O-N 3.13Å; V426-V458 HydrophobicContact CG2-CG1 4.16Å; V426-V458 HydrophobicContact CG2-CG2 4.48Å; V426-T461 HydrophobicContact CG1-CG2 3.85Å; V426-L462 HydrophobicContact CG1-CD2 3.97Å; V426-L462 HydrophobicContact CG1-CG 4.19Å
427Q93.9Very high93.2Very high78 Ų7842.6 Ų42.636%0.36423%0.229SC..Hα-helixtrans-64.5-49.1175.4-70.1177.517.400112P423 E424 L429 I430 Q431 T461P423-Q427 WeakPolarHBondContact O-CG 3.43Å; P423-Q427 PolarHBondContact O-N 3.37Å; E424-Q427 PolarHBondContact O-N 2.96Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 3.5Å; Q427-I430 PolarHBondContact O-N 3.24Å; Q427-I430 VanDerWaalsContact O-N 3.16Å; Q427-Q431 WeakPolarHBondContact O-CB 3.1Å; Q427-Q431 VanDerWaalsContact O-CG 3.24Å; Q427-Q431 WeakPolarHBondContact O-CG 3.42Å; Q427-Q431 PolarHBondContact O-N 3.2Å; Q427-T461 HydrophobicContact CG-CG2 3.63Å
428L94.2Very high92.9Very high25 Ų2544.3 Ų44.313%0.13124%0.237CC..Hα-helixtrans-55.8-43.2177.6179.466000111.6I390 I393 E394 L397 E424 I425 H432I390-L428 HydrophobicContact CG2-CD2 4.32Å; I393-L428 HydrophobicContact CB-CD2 4.31Å; I393-L428 HydrophobicContact CG2-CD2 3.77Å; E394-L428 HydrophobicContact CG-CD2 3.93Å; L397-L428 HydrophobicContact CD1-CG 4.38Å; E424-L428 VanDerWaalsContact O-CB 3.27Å; E424-L428 WeakPolarHBondContact O-CB 3.46Å; E424-L428 PolarHBondContact O-N 3.45Å; I425-L428 PolarHBondContact O-N 2.85Å; L428-H432 PolarHBondContact O-N 3.3Å; L428-H432 PolarHBondContact O-ND1 3.25Å
429L96.1Very high92.7Very high0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-67.7-43177.6-71.9170.6000111.9I393 I403 P413 L414 A417 I425 Q427 Q431 H432 G433 A434I393-L429 HydrophobicContact CG2-CD2 4.48Å; I403-L429 HydrophobicContact CD1-CB 4.28Å; I403-L429 HydrophobicContact CD1-CD2 3.86Å; I403-L429 WeakPolarHBondContact CD1-O 3.36Å; I403-L429 HydrophobicContact CG1-CD2 3.67Å; P413-L429 HydrophobicContact CB-CD1 4.06Å; P413-L429 HydrophobicContact CB-CD2 4.07Å; L414-L429 HydrophobicContact CB-CD1 4.43Å; L414-L429 HydrophobicContact CD1-CB 4.17Å; L414-L429 HydrophobicContact CD1-CD1 4.37Å; A417-L429 HydrophobicContact CB-CD1 3.85Å; I425-L429 HydrophobicContact CG2-CD1 3.85Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 VanDerWaalsContact O-CB 3.29Å; I425-L429 WeakPolarHBondContact O-CB 3.25Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.96Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 3.5Å; L429-Q431 VanDerWaalsContact C-N 3.35Å; L429-Q431 PolarHBondContact O-N 3.23Å; L429-H432 CarbonylContact O-C 3.35Å; L429-H432 PolarHBondContact O-N 3.44Å; L429-G433 PolarHBondContact O-N 3.13Å; L429-A434 HydrophobicContact CB-CB 3.92Å; L429-A434 WeakPolarHBondContact O-CB 3.44Å; L429-A434 PolarHBondContact O-N 2.89Å
430I94.6Very high92.6Very high25 Ų2543.7 Ų43.713%0.12824%0.244CC..Hα-helixtrans-65.3-40178.7-68.2167.1000111.1L414 V426 Q427 H432 G433 V436 L462 H465L414-I430 HydrophobicContact CD1-CD1 4.22Å; L414-I430 HydrophobicContact CD1-CG1 3.92Å; L414-I430 HydrophobicContact CD2-CG1 4.2Å; V426-I430 HydrophobicContact CG1-CD1 3.78Å; V426-I430 WeakPolarHBondContact O-CB 3.19Å; V426-I430 WeakPolarHBondContact O-CD1 3.46Å; V426-I430 WeakPolarHBondContact O-CG1 3.42Å; V426-I430 PolarHBondContact O-N 3.13Å; Q427-I430 PolarHBondContact O-N 3.24Å; Q427-I430 VanDerWaalsContact O-N 3.16Å; I430-H432 PolarHBondContact O-N 3.17Å; I430-G433 PolarHBondContact O-N 3.17Å; I430-V436 HydrophobicContact CD1-CG2 3.83Å; I430-V436 HydrophobicContact CG1-CG2 3.79Å; I430-V436 HydrophobicContact CG2-CG2 4.11Å; I430-L462 HydrophobicContact CD1-CD2 4.14Å; I430-H465 HydrophobicContact CD1-CB 4.01Å; I430-H465 HydrophobicContact CG2-CB 3.96Å
431Q92.6Very high92.3Very high137 Ų13743.1 Ų43.164%0.6424%0.24SC*.Hα-helixtrans-59.9-33.3174.4-72.1166.7500112.5Q427 L429 G433Q427-Q431 WeakPolarHBondContact O-CB 3.1Å; Q427-Q431 VanDerWaalsContact O-CG 3.24Å; Q427-Q431 WeakPolarHBondContact O-CG 3.42Å; Q427-Q431 PolarHBondContact O-N 3.2Å; L429-Q431 VanDerWaalsContact C-N 3.35Å; L429-Q431 PolarHBondContact O-N 3.23Å; Q431-G433 VanDerWaalsContact C-N 3.31Å
432H92.5Very high92.3Very high97 Ų9747 Ų4745%0.44925%0.25SC..THydrogen-bonded Turntrans-89.515.6174.6-68.981000113.7L397 I403 L428 L429 I430L397-H432 HydrophobicContact CD1-CB 4.22Å; L397-H432 HydrophobicContact CD2-CB 4.27Å; I403-H432 HydrophobicContact CD1-CB 3.41Å; I403-H432 VanDerWaalsContact CD1-CB 3.41Å; I403-H432 WeakPolarHBondContact CD1-O 3.42Å; L428-H432 PolarHBondContact O-N 3.3Å; L428-H432 PolarHBondContact O-ND1 3.25Å; L429-H432 CarbonylContact O-C 3.35Å; L429-H432 PolarHBondContact O-N 3.44Å; I430-H432 PolarHBondContact O-N 3.17Å
433G91.8Very high92.4Very high47 Ų4749.2 Ų49.249%0.48526%0.264SS..THydrogen-bonded Turntrans88.523171.200000116N404 L429 I430 Q431 N435N404-G433 PolarHBondContact ND2-O 2.89Å; L429-G433 PolarHBondContact O-N 3.13Å; I430-G433 PolarHBondContact O-N 3.17Å; Q431-G433 VanDerWaalsContact C-N 3.31Å; G433-N435 PolarHBondContact O-N 2.67Å
434A94.2Very high92.6Very high6 Ų648.1 Ų48.15%0.0526%0.255CS..  trans-65.1128.6170.200000111.4I403 N404 L414 L429 V436I403-A434 HydrophobicContact CD1-CB 4.04Å; I403-A434 HydrophobicContact CG1-CB 4.03Å; N404-A434 WeakPolarHBondContact OD1-CA 3.47Å; L414-A434 HydrophobicContact CB-CB 4.06Å; L414-A434 HydrophobicContact CD1-CB 4.46Å; L414-A434 HydrophobicContact CD2-CB 3.92Å; L414-A434 HydrophobicContact CG-CB 4.37Å; L429-A434 HydrophobicContact CB-CB 3.92Å; L429-A434 WeakPolarHBondContact O-CB 3.44Å; L429-A434 PolarHBondContact O-N 2.89Å; A434-V436 PolarHBondContact O-N 2.97Å
435N92.3Very high92.8Very high80 Ų8042 Ų4243%0.42823%0.227SC..  trans-75.5100.3-178.7177.84.1000110.6N404 G433 N437 Q438N404-N435 PolarHBondContact OD1-N 3.39Å; G433-N435 PolarHBondContact O-N 2.67Å; N435-N437 PolarHBondContact O-N 2.65Å; N435-N437 VanDerWaalsContact O-N 3.08Å; N435-N437 PolarHBondContact OD1-N 3.39Å; N435-Q438 HydrophobicContact CB-CB 4.05Å; N435-Q438 VanDerWaalsContact O-CB 3.25Å; N435-Q438 WeakPolarHBondContact O-CB 3.49Å; N435-Q438 PolarHBondContact O-N 2.95Å; N435-Q438 PolarHBondContact OD1-N 3.46Å
436V94.4Very high92.8Very high11 Ų1142 Ų427%0.06723%0.227CC..THydrogen-bonded Turntrans-51.2-30.3177.1-176.10000113.5L414 I430 A434 L462 H465 A467L414-V436 HydrophobicContact CD2-CG2 4.46Å; I430-V436 HydrophobicContact CD1-CG2 3.83Å; I430-V436 HydrophobicContact CG1-CG2 3.79Å; I430-V436 HydrophobicContact CG2-CG2 4.11Å; A434-V436 PolarHBondContact O-N 2.97Å; V436-L462 HydrophobicContact CG1-CD2 4.05Å; V436-H465 HydrophobicContact CG2-CB 4.15Å; V436-A467 HydrophobicContact CG1-CB 3.61Å
437N93.6Very high92.9Very high67 Ų6742 Ų4236%0.35823%0.227SC..THydrogen-bonded Turntrans-105.210.8-179.1-71.6-62.3000113.9N435 A439 G466 S468N435-N437 PolarHBondContact O-N 2.65Å; N435-N437 VanDerWaalsContact O-N 3.08Å; N435-N437 PolarHBondContact OD1-N 3.39Å; N437-A439 PolarHBondContact O-N 3.2Å; N437-G466 PolarHBondContact ND2-O 2.82Å; N437-S468 WeakPolarHBondContact OD1-CB 3.37Å; N437-S468 PolarHBondContact OD1-N 3.25Å
438Q91.2Very high93Very high35 Ų3538.2 Ų38.216%0.16421%0.209CC..  trans-58.2139.1164.7-167.9175.123.800108.3N404 S412 H415 N435 T445N404-Q438 PolarHBondContact O-NE2 3Å; S412-Q438 PolarHBondContact OG-OE1 3.08Å; H415-Q438 PolarHBondContact CE1-O 2.84Å; H415-Q438 PolarHBondContact NE2-O 3.49Å; H415-Q438 VanDerWaalsContact NE2-O 3.12Å; N435-Q438 HydrophobicContact CB-CB 4.05Å; N435-Q438 VanDerWaalsContact O-CB 3.25Å; N435-Q438 WeakPolarHBondContact O-CB 3.49Å; N435-Q438 PolarHBondContact O-N 2.95Å; N435-Q438 PolarHBondContact OD1-N 3.46Å; Q438-T445 WeakPolarHBondContact O-CA 3.42Å
439A91.6Very high93Very high45 Ų4537.4 Ų37.437%0.37221%0.205SC..BIsolated β-bridgetrans-109.1143.7174.900000110N437 T445N437-A439 PolarHBondContact O-N 3.2Å; A439-T445 HydrophobicContact CB-CG2 4.17Å
440T91.6Very high93Very high11 Ų1137.4 Ų37.47%0.06721%0.205CC..  trans-61.1174.1165.760.80000111.7G410 L411 H415 R442 C443 E444 L449G410-T440 WeakPolarHBondContact O-CA 3.34Å; L411-T440 HydrophobicContact CD2-CG2 3.64Å; L411-T440 HydrophobicContact CG-CG2 4.4Å; H415-T440 WeakPolarHBondContact CD2-CG2 3.48Å; H415-T440 PolarHBondContact NE2-N 3.32Å; T440-R442 PolarHBondContact O-N 2.79Å; T440-R442 VanDerWaalsContact O-N 3.16Å; T440-R442 PolarHBondContact OG1-N 2.78Å; T440-C443 WeakPolarHBondContact O-CA 3.34Å; T440-C443 PolarHBondContact O-N 3.19Å; T440-E444 WeakPolarHBondContact CB-O 3.36Å; T440-E444 WeakPolarHBondContact CG2-O 3.48Å; T440-E444 PolarHBondContact N-O 2.78Å; T440-E444 WeakPolarHBondContact OG1-CB 3.38Å; T440-E444 PolarHBondContact OG1-N 3.06Å; T440-E444 PolarHBondContact OG1-O 3.29Å; T440-L449 HydrophobicContact CG2-CD1 4.09Å
441M87.3Confident93.1Very high43 Ų4336.2 Ų36.221%0.21220%0.199CC..THydrogen-bonded Turntrans-51.9-38.2168-67.3-57.3-92.100111.5S409 C443 D1450 R1452S409-M441 WeakPolarHBondContact O-CB 3.35Å; S409-M441 WeakPolarHBondContact O-CG 3.5Å; S409-M441 PolarHBondContact O-N 2.89Å; M441-C443 PolarHBondContact O-N 3.03Å; M441-D1450 HydrophobicContact CE-CB 3.85Å; M441-D1450 VanDerWaalsContact CE-OD1 3.26Å; M441-D1450 WeakPolarHBondContact CE-OD1 3.43Å; M441-D1450 WeakPolarHBondContact CE-OD2 3.25Å; M441-R1452 HydrophobicContact CB-CG 3.95Å; M441-R1452 PolarHBondContact O-NE 3.17Å; M441-R1452 VanDerWaalsContact O-NE 3.13Å; M441-R1452 PolarHBondContact O-NH1 3.17Å; M441-R1452 PolarHBondContact O-NH2 2.66Å; M441-R1452 VanDerWaalsContact O-NH2 3.16Å
442R87.7Confident93.2Very high99 Ų9932.3 Ų32.337%0.37418%0.178SC..THydrogen-bonded Turntrans-694.5178.1-71.9-172.1176.4172.30.2115T440 E444 R474 R1452T440-R442 PolarHBondContact O-N 2.79Å; T440-R442 VanDerWaalsContact O-N 3.16Å; T440-R442 PolarHBondContact OG1-N 2.78Å; R442-E444 HydrophobicContact CB-CB 4.33Å; R442-E444 HydrophobicContact CB-CG 3.74Å; R442-E444 WeakPolarHBondContact CD-OE1 3.26Å; R442-E444 PolarHBondContact O-N 3.1Å; R442-E444 VanDerWaalsContact O-N 3.17Å; R442-R474 PolarHBondContact O-N 3.46Å; R442-R1452 HydrophobicContact CG-CG 4.45Å
443C88.6Confident93.2Very high51 Ų5130 Ų3035%0.34517%0.169SC..SBendtrans618.5-167.4-51.90000113.4T440 M441T440-C443 WeakPolarHBondContact O-CA 3.34Å; T440-C443 PolarHBondContact O-N 3.19Å; M441-C443 PolarHBondContact O-N 3.03Å
444E93.7Very high93.3Very high17 Ų1733.5 Ų33.58%0.07917%0.168CC..  trans-77.4120.6173.4-63166.9178.200107.9H415 T440 R442 H448 L449 R452 A473H415-E444 PolarHBondContact NE2-O 3.45Å; T440-E444 WeakPolarHBondContact CB-O 3.36Å; T440-E444 WeakPolarHBondContact CG2-O 3.48Å; T440-E444 PolarHBondContact N-O 2.78Å; T440-E444 WeakPolarHBondContact OG1-CB 3.38Å; T440-E444 PolarHBondContact OG1-N 3.06Å; T440-E444 PolarHBondContact OG1-O 3.29Å; R442-E444 HydrophobicContact CB-CB 4.33Å; R442-E444 HydrophobicContact CB-CG 3.74Å; R442-E444 WeakPolarHBondContact CD-OE1 3.26Å; R442-E444 PolarHBondContact O-N 3.1Å; R442-E444 VanDerWaalsContact O-N 3.17Å; E444-H448 HydrophobicContact CB-CB 3.8Å; E444-H448 HydrophobicContact CG-CB 4.33Å; E444-L449 HydrophobicContact CB-CD2 4.42Å; E444-R452 IonicContact OE1-CZ 2.7Å; E444-R452 IonicContact OE1-NH1 2.67Å; E444-R452 PolarHBondContact OE1-NH1 2.88Å; E444-R452 IonicContact OE1-NH2 3.67Å; E444-R452 PolarHBondContact OE1-NH2 3Å; E444-R452 IonicContact OE2-CZ 2.69Å; E444-R452 IonicContact OE2-NH1 3.15Å; E444-R452 PolarHBondContact OE2-NH1 3.22Å; E444-R452 IonicContact OE2-NH2 2.69Å; E444-A473 HydrophobicContact CG-CB 3.86Å
445T95.6Very high93.3Very high6 Ų635.8 Ų35.84%0.03718%0.177CC..BIsolated β-bridgetrans-78.2171.1173.456.70000111.9Q438 A439 L447 H448 L449 A471Q438-T445 WeakPolarHBondContact O-CA 3.42Å; A439-T445 HydrophobicContact CB-CG2 4.17Å; T445-L447 PolarHBondContact O-N 3.44Å; T445-L447 VanDerWaalsContact O-N 3.1Å; T445-H448 PolarHBondContact N-ND1 2.97Å; T445-H448 WeakPolarHBondContact O-CB 3.4Å; T445-H448 PolarHBondContact O-N 2.99Å; T445-H448 PolarHBondContact OG1-ND1 2.93Å; T445-L449 PolarHBondContact O-N 3.48Å; T445-A471 HydrophobicContact CG2-CB 4.01Å
446A96.1Very high93.3Very high1 Ų134.1 Ų34.11%0.00817%0.17CC..Hα-helixtrans-51-35.8173.300000112.8L414 H415 A418 L449 A450 L462L414-A446 HydrophobicContact CD2-CB 4.43Å; L414-A446 HydrophobicContact CG-CB 4.24Å; H415-A446 PolarHBondContact CD2-N 3.48Å; H415-A446 VanDerWaalsContact CD2-N 3.33Å; H415-A446 PolarHBondContact NE2-N 3.05Å; A418-A446 HydrophobicContact CB-CB 4.03Å; A446-L449 PolarHBondContact O-N 3.03Å; A446-A450 PolarHBondContact O-N 3.04Å; A446-L462 HydrophobicContact CB-CD1 3.99Å; A446-L462 HydrophobicContact CB-CD2 4.02Å
447L96.8Very high93.3Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-66.2-37.9175.7-179.360000113T445 L449 V451 A459 L462 I463 A467 P479 L495T445-L447 PolarHBondContact O-N 3.44Å; T445-L447 VanDerWaalsContact O-N 3.1Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 3.13Å; L447-V451 HydrophobicContact CD1-CG2 4.15Å; L447-V451 WeakPolarHBondContact O-CB 3.38Å; L447-V451 WeakPolarHBondContact O-CG2 3.31Å; L447-V451 PolarHBondContact O-N 3.06Å; L447-A459 HydrophobicContact CD1-CB 3.69Å; L447-L462 HydrophobicContact CB-CD1 4.43Å; L447-I463 HydrophobicContact CD1-CD1 4.01Å; L447-I463 HydrophobicContact CD1-CG1 3.93Å; L447-I463 HydrophobicContact CD2-CD1 4.23Å; L447-I463 HydrophobicContact CD2-CG1 3.8Å; L447-A467 HydrophobicContact CB-CB 4.11Å; L447-A467 HydrophobicContact CD2-CB 3.95Å; L447-P479 HydrophobicContact CD2-CB 4.23Å; L447-P479 HydrophobicContact CD2-CG 3.94Å; L447-P479 HydrophobicContact CG-CB 4.13Å; L447-P479 HydrophobicContact CG-CG 4.05Å; L447-L495 HydrophobicContact CD2-CD2 4.22Å
448H96.2Very high93.4Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-62.8-38.1174-73.483.4000111.7E444 T445 R452 A471 Q477 P479E444-H448 HydrophobicContact CB-CB 3.8Å; E444-H448 HydrophobicContact CG-CB 4.33Å; T445-H448 PolarHBondContact N-ND1 2.97Å; T445-H448 WeakPolarHBondContact O-CB 3.4Å; T445-H448 PolarHBondContact O-N 2.99Å; T445-H448 PolarHBondContact OG1-ND1 2.93Å; H448-R452 WeakPolarHBondContact O-CB 3.4Å; H448-R452 PolarHBondContact O-N 2.77Å; H448-A471 PolarHBondContact CE1-O 2.77Å; H448-Q477 PolarHBondContact NE2-O 3.25Å; H448-P479 WeakPolarHBondContact NE2-CD 3.46Å
449L95.2Very high93.6Very high8 Ų831.8 Ų31.84%0.04216%0.163CC..Hα-helixtrans-74.5-39.4-180-62-173.5000112.6L411 H415 F419 T440 E444 T445 A446 L447 V451 R452 N453L411-L449 HydrophobicContact CD2-CD1 3.43Å; L411-L449 VanDerWaalsContact CD2-CD1 3.43Å; H415-L449 HydrophobicContact CB-CD1 3.75Å; F419-L449 HydrophobicContact CB-CB 4.22Å; F419-L449 HydrophobicContact CD2-CB 4.24Å; T440-L449 HydrophobicContact CG2-CD1 4.09Å; E444-L449 HydrophobicContact CB-CD2 4.42Å; T445-L449 PolarHBondContact O-N 3.48Å; A446-L449 PolarHBondContact O-N 3.03Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 3.13Å; L449-V451 VanDerWaalsContact C-N 3.34Å; L449-R452 PolarHBondContact O-N 2.8Å; L449-N453 PolarHBondContact O-N 3.42Å
450A96.2Very high93.7Very high0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-58.6-46.9170.700000110.9A418 A446 N453 R454 Q455 V458 A459 L462A418-A450 HydrophobicContact CB-CB 4.46Å; A446-A450 PolarHBondContact O-N 3.04Å; A450-N453 CarbonylContact O-C 3.52Å; A450-N453 PolarHBondContact O-N 3.2Å; A450-R454 PolarHBondContact O-N 3.07Å; A450-R454 VanDerWaalsContact O-N 3.07Å; A450-Q455 HydrophobicContact CB-CB 4.3Å; A450-Q455 PolarHBondContact O-N 3.49Å; A450-V458 HydrophobicContact CB-CB 4.23Å; A450-V458 HydrophobicContact CB-CG1 3.57Å; A450-A459 HydrophobicContact CB-CB 4.37Å; A450-L462 HydrophobicContact CB-CD1 4Å
451V95.9Very high93.8Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-65-42.1177.5169.60000112.1L447 L449 R454 A459 P479 V482 A483 L491 L495L447-V451 HydrophobicContact CD1-CG2 4.15Å; L447-V451 WeakPolarHBondContact O-CB 3.38Å; L447-V451 WeakPolarHBondContact O-CG2 3.31Å; L447-V451 PolarHBondContact O-N 3.06Å; L449-V451 VanDerWaalsContact C-N 3.34Å; V451-R454 PolarHBondContact O-N 3.15Å; V451-R454 VanDerWaalsContact O-N 3.17Å; V451-A459 HydrophobicContact CG2-CB 4.43Å; V451-P479 WeakPolarHBondContact CG1-O 3.42Å; V451-P479 HydrophobicContact CG2-CB 4.32Å; V451-V482 HydrophobicContact CG1-CB 4.1Å; V451-V482 HydrophobicContact CG1-CG1 4.05Å; V451-A483 HydrophobicContact CG1-CB 3.69Å; V451-L491 HydrophobicContact CB-CD1 4.37Å; V451-L491 HydrophobicContact CG1-CD1 4.26Å; V451-L491 HydrophobicContact CG2-CD1 4.43Å; V451-L491 HydrophobicContact CG2-CD2 4.15Å; V451-L495 HydrophobicContact CG2-CD1 4.07Å
452R94.4Very high94.2Very high54 Ų5432.2 Ų32.220%0.20416%0.157CC..Hα-helixtrans-61.5-47.3176.7-172.7175.3-72139.1-3.2111.5E444 H448 L449 R454 V482 T486E444-R452 IonicContact OE1-CZ 2.7Å; E444-R452 IonicContact OE1-NH1 2.67Å; E444-R452 PolarHBondContact OE1-NH1 2.88Å; E444-R452 IonicContact OE1-NH2 3.67Å; E444-R452 PolarHBondContact OE1-NH2 3Å; E444-R452 IonicContact OE2-CZ 2.69Å; E444-R452 IonicContact OE2-NH1 3.15Å; E444-R452 PolarHBondContact OE2-NH1 3.22Å; E444-R452 IonicContact OE2-NH2 2.69Å; H448-R452 WeakPolarHBondContact O-CB 3.4Å; H448-R452 PolarHBondContact O-N 2.77Å; L449-R452 PolarHBondContact O-N 2.8Å; R452-R454 PolarHBondContact O-N 2.87Å; R452-V482 HydrophobicContact CB-CG1 3.95Å; R452-V482 HydrophobicContact CG-CG1 4.48Å; R452-T486 WeakPolarHBondContact O-CG2 3.36Å
453N92.9Very high94.5Very high49 Ų4928.7 Ų28.726%0.26215%0.145SC..THydrogen-bonded Turntrans-85.420.1177.1-153.944.1000113.8F419 L449 A450 Q455F419-N453 HydrophobicContact CD2-CB 3.82Å; F419-N453 HydrophobicContact CE2-CB 3.74Å; F419-N453 HydrophobicContact CG-CB 4.28Å; F419-N453 HydrophobicContact CZ-CB 4.14Å; F419-N453 WeakPolarHBondContact O-CB 3.13Å; F419-N453 PolarHBondContact O-ND2 3.09Å; L449-N453 PolarHBondContact O-N 3.42Å; A450-N453 CarbonylContact O-C 3.52Å; A450-N453 PolarHBondContact O-N 3.2Å; N453-Q455 VanDerWaalsContact C-N 3.26Å; N453-Q455 HydrophobicContact CB-CG 4.25Å; N453-Q455 WeakPolarHBondContact O-CG 3.46Å; N453-Q455 PolarHBondContact O-N 3.07Å; N453-Q455 PolarHBondContact O-NE2 3.03Å
454R94.4Very high94.7Very high121 Ų12135.6 Ų35.646%0.45717%0.165SC..THydrogen-bonded Turntrans61.925.2169.1-47.9-175.6-167.8-159.54.1114.8A450 V451 R452 V456 T486 T488 E903A450-R454 PolarHBondContact O-N 3.07Å; A450-R454 VanDerWaalsContact O-N 3.07Å; V451-R454 PolarHBondContact O-N 3.15Å; V451-R454 VanDerWaalsContact O-N 3.17Å; R452-R454 PolarHBondContact O-N 2.87Å; R454-V456 PolarHBondContact O-N 2.84Å; R454-T486 PolarHBondContact NH1-O 2.81Å; R454-T488 HydrophobicContact CB-CG2 3.94Å; R454-T488 HydrophobicContact CG-CG2 3.8Å; R454-E903 IonicContact CZ-OE2 3.54Å; R454-E903 IonicContact NH2-OE1 4Å; R454-E903 IonicContact NH2-OE2 2.74Å; R454-E903 PolarHBondContact NH2-OE2 3.38Å
455Q93.3Very high94.7Very high54 Ų5438 Ų3825%0.25218%0.177SC..  trans-85.980.4-173.4-57.7-58.7-41.400112.8A450 N453 V458 A459A450-Q455 HydrophobicContact CB-CB 4.3Å; A450-Q455 PolarHBondContact O-N 3.49Å; N453-Q455 VanDerWaalsContact C-N 3.26Å; N453-Q455 HydrophobicContact CB-CG 4.25Å; N453-Q455 WeakPolarHBondContact O-CG 3.46Å; N453-Q455 PolarHBondContact O-N 3.07Å; N453-Q455 PolarHBondContact O-NE2 3.03Å; Q455-V458 HydrophobicContact CB-CB 3.87Å; Q455-V458 HydrophobicContact CB-CG2 4.19Å; Q455-V458 PolarHBondContact O-N 3.18Å; Q455-A459 PolarHBondContact O-N 3.41Å
456V93.1Very high94.5Very high45 Ų4539.9 Ų39.927%0.27320%0.197SC..Hα-helixtrans-52.5-59.2-177.7-173.80000112.8R454 V458 A459 E460 E490 L491 V494R454-V456 PolarHBondContact O-N 2.84Å; V456-V458 VanDerWaalsContact C-N 3.25Å; V456-V458 PolarHBondContact O-N 3.23Å; V456-A459 WeakPolarHBondContact O-CA 3.48Å; V456-A459 WeakPolarHBondContact O-CB 3.46Å; V456-A459 PolarHBondContact O-N 2.87Å; V456-E460 HydrophobicContact CG1-CG 4.43Å; V456-E460 WeakPolarHBondContact O-CG 3.42Å; V456-E460 PolarHBondContact O-N 3.07Å; V456-E490 HydrophobicContact CG2-CB 4.04Å; V456-L491 HydrophobicContact CB-CD2 4.47Å; V456-L491 HydrophobicContact CG2-CD2 4.34Å; V456-L491 HydrophobicContact CG2-CG 4.12Å; V456-V494 HydrophobicContact CG1-CG2 4.34Å
457S94.3Very high94.4Very high62 Ų6240.1 Ų40.143%0.43420%0.199SC..Hα-helixtrans-62.1-31.2-175.7179.40000113.5E460 T461S457-E460 WeakPolarHBondContact CA-OE2 3.5Å; S457-T461 VanDerWaalsContact O-CB 3.28Å; S457-T461 WeakPolarHBondContact O-CB 3.31Å; S457-T461 PolarHBondContact O-N 3.41Å; S457-T461 PolarHBondContact O-OG1 2.87Å
458V95.3Very high94.2Very high1 Ų142.8 Ų42.81%0.00622%0.218CC..Hα-helixtrans-70.9-43.5172.4168.70000110.9A418 P423 V426 A450 Q455 V456 T461 L462A418-V458 HydrophobicContact CB-CG1 3.81Å; P423-V458 HydrophobicContact CB-CG2 4.39Å; V426-V458 HydrophobicContact CG2-CG1 4.16Å; V426-V458 HydrophobicContact CG2-CG2 4.48Å; A450-V458 HydrophobicContact CB-CB 4.23Å; A450-V458 HydrophobicContact CB-CG1 3.57Å; Q455-V458 HydrophobicContact CB-CB 3.87Å; Q455-V458 HydrophobicContact CB-CG2 4.19Å; Q455-V458 PolarHBondContact O-N 3.18Å; V456-V458 VanDerWaalsContact C-N 3.25Å; V456-V458 PolarHBondContact O-N 3.23Å; V458-T461 PolarHBondContact O-N 2.92Å; V458-L462 HydrophobicContact CG1-CD1 3.72Å; V458-L462 HydrophobicContact CG1-CG 4.22Å; V458-L462 WeakPolarHBondContact O-CB 3.34Å; V458-L462 VanDerWaalsContact O-CG 3.25Å; V458-L462 WeakPolarHBondContact O-CG 3.25Å; V458-L462 PolarHBondContact O-N 3.26Å
459A95Very high94.1Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-61.2-45.317700000111.2L447 A450 V451 Q455 V456 L462 I463 L491L447-A459 HydrophobicContact CD1-CB 3.69Å; A450-A459 HydrophobicContact CB-CB 4.37Å; V451-A459 HydrophobicContact CG2-CB 4.43Å; Q455-A459 PolarHBondContact O-N 3.41Å; V456-A459 WeakPolarHBondContact O-CA 3.48Å; V456-A459 WeakPolarHBondContact O-CB 3.46Å; V456-A459 PolarHBondContact O-N 2.87Å; A459-L462 PolarHBondContact O-N 3.33Å; A459-I463 WeakPolarHBondContact O-CB 3.31Å; A459-I463 WeakPolarHBondContact O-CD1 3.46Å; A459-I463 WeakPolarHBondContact O-CG1 3.16Å; A459-I463 PolarHBondContact O-N 3.26Å; A459-L491 HydrophobicContact CB-CD2 3.52Å
460E94.1Very high94.1Very high96 Ų9645.8 Ų45.845%0.44923%0.234SC..Hα-helixtrans-57.1-49.3172.1-67.2175.5133.900111.7V456 S457 L462 I463 Y464 V494V456-E460 HydrophobicContact CG1-CG 4.43Å; V456-E460 WeakPolarHBondContact O-CG 3.42Å; V456-E460 PolarHBondContact O-N 3.07Å; S457-E460 WeakPolarHBondContact CA-OE2 3.5Å; E460-L462 VanDerWaalsContact C-N 3.35Å; E460-L462 PolarHBondContact O-N 3.29Å; E460-I463 PolarHBondContact O-N 3.39Å; E460-Y464 WeakPolarHBondContact O-CB 3.35Å; E460-Y464 PolarHBondContact O-N 3Å; E460-V494 HydrophobicContact CG-CG1 3.9Å; E460-V494 HydrophobicContact CG-CG2 3.94Å
461T94Very high94Very high13 Ų1346.6 Ų46.68%0.0824%0.241CC..Hα-helixtrans-58.8-44.4177.9-63.50000111.7V426 Q427 S457 V458 H465V426-T461 HydrophobicContact CG1-CG2 3.85Å; Q427-T461 HydrophobicContact CG-CG2 3.63Å; S457-T461 VanDerWaalsContact O-CB 3.28Å; S457-T461 WeakPolarHBondContact O-CB 3.31Å; S457-T461 PolarHBondContact O-N 3.41Å; S457-T461 PolarHBondContact O-OG1 2.87Å; V458-T461 PolarHBondContact O-N 2.92Å; T461-H465 PolarHBondContact O-N 3.19Å; T461-H465 VanDerWaalsContact O-N 3.15Å; T461-H465 PolarHBondContact O-ND1 3.05Å
462L95.9Very high93.8Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-65.9-43.8178.8-73.7168.5000111.5L414 A418 V426 I430 V436 A446 L447 A450 V458 A459 E460 H465 G466 A467L414-L462 HydrophobicContact CD1-CD2 4.37Å; L414-L462 HydrophobicContact CD2-CD2 4.35Å; L414-L462 HydrophobicContact CG-CD2 4.46Å; A418-L462 HydrophobicContact CB-CD1 3.98Å; V426-L462 HydrophobicContact CG1-CD2 3.97Å; V426-L462 HydrophobicContact CG1-CG 4.19Å; I430-L462 HydrophobicContact CD1-CD2 4.14Å; V436-L462 HydrophobicContact CG1-CD2 4.05Å; A446-L462 HydrophobicContact CB-CD1 3.99Å; A446-L462 HydrophobicContact CB-CD2 4.02Å; L447-L462 HydrophobicContact CB-CD1 4.43Å; A450-L462 HydrophobicContact CB-CD1 4Å; V458-L462 HydrophobicContact CG1-CD1 3.72Å; V458-L462 HydrophobicContact CG1-CG 4.22Å; V458-L462 WeakPolarHBondContact O-CB 3.34Å; V458-L462 VanDerWaalsContact O-CG 3.25Å; V458-L462 WeakPolarHBondContact O-CG 3.25Å; V458-L462 PolarHBondContact O-N 3.26Å; A459-L462 PolarHBondContact O-N 3.33Å; E460-L462 VanDerWaalsContact C-N 3.35Å; E460-L462 PolarHBondContact O-N 3.29Å; L462-H465 CarbonylContact O-C 3.5Å; L462-H465 PolarHBondContact O-N 2.84Å; L462-G466 PolarHBondContact O-N 3.17Å; L462-A467 VanDerWaalsContact C-CB 3.47Å; L462-A467 HydrophobicContact CB-CB 3.94Å; L462-A467 WeakPolarHBondContact O-CB 3.17Å; L462-A467 PolarHBondContact O-N 3.07Å
463I94.4Very high93.7Very high25 Ų2548 Ų4813%0.12825%0.25CS..Hα-helixtrans-66.1-41.5178.8-65164000111L447 A459 E460 H465 G466 A467 V469 V494 L495 C498L447-I463 HydrophobicContact CD1-CD1 4.01Å; L447-I463 HydrophobicContact CD1-CG1 3.93Å; L447-I463 HydrophobicContact CD2-CD1 4.23Å; L447-I463 HydrophobicContact CD2-CG1 3.8Å; A459-I463 WeakPolarHBondContact O-CB 3.31Å; A459-I463 WeakPolarHBondContact O-CD1 3.46Å; A459-I463 WeakPolarHBondContact O-CG1 3.16Å; A459-I463 PolarHBondContact O-N 3.26Å; E460-I463 PolarHBondContact O-N 3.39Å; I463-H465 VanDerWaalsContact C-N 3.25Å; I463-H465 PolarHBondContact O-N 3.33Å; I463-G466 PolarHBondContact O-N 3.41Å; I463-A467 HydrophobicContact CG1-CB 4.47Å; I463-V469 HydrophobicContact CD1-CG2 4.41Å; I463-V469 HydrophobicContact CG1-CG2 4.13Å; I463-V469 HydrophobicContact CG2-CG2 3.89Å; I463-V494 HydrophobicContact CD1-CG1 3.89Å; I463-L495 HydrophobicContact CD1-CD2 3.99Å; I463-C498 HydrophobicContact CG2-CB 3.85Å
464Y92.5Very high93.3Very high195 Ų19552.7 Ų52.777%0.76526%0.264SS*.Hα-helixtrans-58.1-38.2174.1-178-92.2000112.2E460 G466E460-Y464 WeakPolarHBondContact O-CB 3.35Å; E460-Y464 PolarHBondContact O-N 3Å; Y464-G466 PolarHBondContact O-N 3.45Å
465H92.4Very high92.8Very high69 Ų6948.6 Ų48.632%0.31925%0.252SS..THydrogen-bonded Turntrans-86.519.2173.9-63.593.6000113.9I430 V436 T461 L462 I463I430-H465 HydrophobicContact CD1-CB 4.01Å; I430-H465 HydrophobicContact CG2-CB 3.96Å; V436-H465 HydrophobicContact CG2-CB 4.15Å; T461-H465 PolarHBondContact O-N 3.19Å; T461-H465 VanDerWaalsContact O-N 3.15Å; T461-H465 PolarHBondContact O-ND1 3.05Å; L462-H465 CarbonylContact O-C 3.5Å; L462-H465 PolarHBondContact O-N 2.84Å; I463-H465 VanDerWaalsContact C-N 3.25Å; I463-H465 PolarHBondContact O-N 3.33Å
466G91.7Very high92.6Very high45 Ų4548.2 Ų48.246%0.46425%0.25SC..THydrogen-bonded Turntrans88.922.1168.500000116.1N437 L462 I463 Y464 S468N437-G466 PolarHBondContact ND2-O 2.82Å; L462-G466 PolarHBondContact O-N 3.17Å; I463-G466 PolarHBondContact O-N 3.41Å; Y464-G466 PolarHBondContact O-N 3.45Å; G466-S468 PolarHBondContact O-N 3.46Å
467A94.7Very high92.6Very high6 Ų646.7 Ų46.75%0.0524%0.24CC..  trans-59.9132.5171.100000111.6V436 L447 L462 I463 V469V436-A467 HydrophobicContact CG1-CB 3.61Å; L447-A467 HydrophobicContact CB-CB 4.11Å; L447-A467 HydrophobicContact CD2-CB 3.95Å; L462-A467 VanDerWaalsContact C-CB 3.47Å; L462-A467 HydrophobicContact CB-CB 3.94Å; L462-A467 WeakPolarHBondContact O-CB 3.17Å; L462-A467 PolarHBondContact O-N 3.07Å; I463-A467 HydrophobicContact CG1-CB 4.47Å; A467-V469 PolarHBondContact O-N 2.96Å
468S93.1Very high92.6Very high56 Ų5643.8 Ų43.839%0.39222%0.219SC..  trans-70.897.2178-178.20000110.1N437 G466 N470 A471N437-S468 WeakPolarHBondContact OD1-CB 3.37Å; N437-S468 PolarHBondContact OD1-N 3.25Å; G466-S468 PolarHBondContact O-N 3.46Å; S468-N470 PolarHBondContact O-N 3.39Å; S468-A471 VanDerWaalsContact O-CB 3.3Å; S468-A471 WeakPolarHBondContact O-CB 3.25Å; S468-A471 PolarHBondContact O-N 2.88Å; S468-A471 PolarHBondContact OG-N 2.96Å
469V94.3Very high92.6Very high15 Ų1543.7 Ų43.79%0.09122%0.219CC..THydrogen-bonded Turntrans-51.8-27.7177.9-176.50000112.6I463 A467 P479 L495 C498 A500I463-V469 HydrophobicContact CD1-CG2 4.41Å; I463-V469 HydrophobicContact CG1-CG2 4.13Å; I463-V469 HydrophobicContact CG2-CG2 3.89Å; A467-V469 PolarHBondContact O-N 2.96Å; V469-P479 WeakPolarHBondContact O-CD 3.39Å; V469-L495 HydrophobicContact CG1-CD2 3.92Å; V469-C498 HydrophobicContact CG2-CB 4.04Å; V469-A500 HydrophobicContact CG1-CB 3.59Å
470N94.7Very high92.7Very high55 Ų5543.7 Ų43.729%0.29422%0.219SC..THydrogen-bonded Turntrans-112.221-179.1-66.5-63.7000113.4S468 K499 A500 N501 L504S468-N470 PolarHBondContact O-N 3.39Å; N470-K499 PolarHBondContact ND2-O 2.64Å; N470-A500 WeakPolarHBondContact OD1-CA 3.29Å; N470-N501 PolarHBondContact OD1-N 3.43Å; N470-L504 HydrophobicContact CB-CD1 3.94Å
471A93.1Very high92.7Very high17 Ų1739.2 Ų39.214%0.1420%0.198CC..  trans-56.3150.1171.200000111.4T445 H448 S468 T478 P479T445-A471 HydrophobicContact CG2-CB 4.01Å; H448-A471 PolarHBondContact CE1-O 2.77Å; S468-A471 VanDerWaalsContact O-CB 3.3Å; S468-A471 WeakPolarHBondContact O-CB 3.25Å; S468-A471 PolarHBondContact O-N 2.88Å; S468-A471 PolarHBondContact OG-N 2.96Å; A471-T478 WeakPolarHBondContact O-CA 3.36Å; A471-P479 WeakPolarHBondContact O-CD 3.49Å
472K92.8Very high92.7Very high74 Ų7438.8 Ų38.832%0.32220%0.195SC..  trans-114.5123.7-178.2-79.5-171.2158.3-167.40112.4E476 Q477 T478 P505K472-E476 HydrophobicContact CD-CB 3.9Å; K472-E476 HydrophobicContact CD-CG 4.11Å; K472-E476 WeakPolarHBondContact CE-O 3.24Å; K472-E476 IonicContact NZ-OE2 3.5Å; K472-E476 PolarHBondContact NZ-OE2 2.86Å; K472-Q477 CarbonylContact C-O 3.55Å; K472-Q477 WeakPolarHBondContact CA-O 3.47Å; K472-T478 HydrophobicContact CG-CG2 4.17Å; K472-P505 PolarHBondContact NZ-O 2.74Å
473A91.8Very high92.6Very high10 Ų1038.8 Ų38.88%0.08320%0.195CC..  trans-73.2179.1168.500000112.1E444 D475 E476 Q477E444-A473 HydrophobicContact CG-CB 3.86Å; A473-D475 PolarHBondContact O-N 2.96Å; A473-D475 VanDerWaalsContact O-N 3.07Å; A473-E476 WeakPolarHBondContact O-CA 3.4Å; A473-E476 PolarHBondContact O-N 3.01Å; A473-Q477 PolarHBondContact N-O 2.93Å
474R83.8Confident92.5Very high147 Ų14737.6 Ų37.656%0.55519%0.189SC*.THydrogen-bonded Turntrans-49.4-39.1-172-168.7-175.1-164.3171.44.6114.6R442R442-R474 PolarHBondContact O-N 3.46Å
475D84.7Confident92.5Very high35 Ų3530.1 Ų30.119%0.18716%0.162CC..THydrogen-bonded Turntrans-108.133.6-177.7-58.9-79.8000111.4A473 Q477 R507 W899A473-D475 PolarHBondContact O-N 2.96Å; A473-D475 VanDerWaalsContact O-N 3.07Å; D475-Q477 PolarHBondContact O-N 3.44Å; D475-R507 HydrophobicContact CB-CB 4.17Å; D475-R507 WeakPolarHBondContact O-CB 3.15Å; D475-R507 PolarHBondContact O-N 2.86Å; D475-R507 VanDerWaalsContact OD1-CD 3.25Å; D475-R507 WeakPolarHBondContact OD1-CD 3.22Å; D475-R507 IonicContact OD1-CZ 3.72Å; D475-R507 IonicContact OD1-NE 3.35Å; D475-R507 IonicContact OD1-NH1 2.76Å; D475-R507 PolarHBondContact OD1-NH1 3.24Å; D475-W899 HydrophobicContact CB-CH2 3.83Å; D475-W899 HydrophobicContact CB-CZ2 3.79Å
476E89Confident92.3Very high47 Ų4727.1 Ų27.122%0.2215%0.149CC..SBendtrans608.7176.6-60.4-165.1-10800116.2K472 A473 W1490K472-E476 HydrophobicContact CD-CB 3.9Å; K472-E476 HydrophobicContact CD-CG 4.11Å; K472-E476 WeakPolarHBondContact CE-O 3.24Å; K472-E476 IonicContact NZ-OE2 3.5Å; K472-E476 PolarHBondContact NZ-OE2 2.86Å; A473-E476 WeakPolarHBondContact O-CA 3.4Å; A473-E476 PolarHBondContact O-N 3.01Å; E476-W1490 VanDerWaalsContact OE1-CH2 3.29Å; E476-W1490 WeakPolarHBondContact OE1-CH2 3.41Å; E476-W1490 WeakPolarHBondContact OE1-CZ2 3.33Å
477Q92.9Very high91.9Very high12 Ų1226.3 Ų26.36%0.05614%0.141CC..  trans-59145166.7-70.3-171.5-7.600110.9H448 K472 A473 D475 H481 A506 W899H448-Q477 PolarHBondContact NE2-O 3.25Å; K472-Q477 CarbonylContact C-O 3.55Å; K472-Q477 WeakPolarHBondContact CA-O 3.47Å; A473-Q477 PolarHBondContact N-O 2.93Å; D475-Q477 PolarHBondContact O-N 3.44Å; Q477-H481 HydrophobicContact CB-CB 3.97Å; Q477-H481 HydrophobicContact CG-CB 4.13Å; Q477-A506 HydrophobicContact CG-CB 3.94Å; Q477-W899 VanDerWaalsContact CD-CZ3 3.48Å; Q477-W899 HydrophobicContact CG-CH2 4.49Å
478T95.4Very high91.5Very high1 Ų126.7 Ų26.71%0.00614%0.142CC..  trans-112.1170178.760.90000109.2A471 K472 L480 H481 V482 L504A471-T478 WeakPolarHBondContact O-CA 3.36Å; K472-T478 HydrophobicContact CG-CG2 4.17Å; T478-L480 PolarHBondContact O-N 2.91Å; T478-L480 PolarHBondContact OG1-N 3.47Å; T478-H481 PolarHBondContact N-ND1 3.02Å; T478-H481 VanDerWaalsContact N-ND1 3.17Å; T478-H481 WeakPolarHBondContact O-CB 3.42Å; T478-H481 PolarHBondContact O-N 3.49Å; T478-H481 PolarHBondContact OG1-N 2.83Å; T478-H481 PolarHBondContact OG1-ND1 3.45Å; T478-V482 PolarHBondContact O-N 3.42Å; T478-L504 HydrophobicContact CG2-CB 4.43Å; T478-L504 HydrophobicContact CG2-CD1 3.99Å
479P95.3Very high91.3Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-51.6-37.4169.6-2836.4000112.3L447 H448 V451 V469 A471 V482 A483 L495L447-P479 HydrophobicContact CD2-CB 4.23Å; L447-P479 HydrophobicContact CD2-CG 3.94Å; L447-P479 HydrophobicContact CG-CB 4.13Å; L447-P479 HydrophobicContact CG-CG 4.05Å; H448-P479 WeakPolarHBondContact NE2-CD 3.46Å; V451-P479 WeakPolarHBondContact CG1-O 3.42Å; V451-P479 HydrophobicContact CG2-CB 4.32Å; V469-P479 WeakPolarHBondContact O-CD 3.39Å; A471-P479 WeakPolarHBondContact O-CD 3.49Å; P479-V482 PolarHBondContact O-N 3.12Å; P479-A483 WeakPolarHBondContact O-CB 3.46Å; P479-A483 PolarHBondContact O-N 2.94Å; P479-L495 HydrophobicContact CB-CD1 4.07Å; P479-L495 HydrophobicContact CB-CD2 3.83Å
480L95.8Very high91.1Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-67.6-39.1176.2-176.765.1000112.8T478 V482 A483 C484 I492 L495 L496 A500 P502 A512 L528T478-L480 PolarHBondContact O-N 2.91Å; T478-L480 PolarHBondContact OG1-N 3.47Å; L480-V482 VanDerWaalsContact C-N 3.32Å; L480-V482 PolarHBondContact O-N 3Å; L480-A483 PolarHBondContact O-N 3.23Å; L480-C484 WeakPolarHBondContact O-CB 3.27Å; L480-C484 PolarHBondContact O-N 2.84Å; L480-C484 PolarHBondContact O-SG 3.12Å; L480-I492 HydrophobicContact CD1-CG1 4.35Å; L480-I492 HydrophobicContact CD1-CG2 4.2Å; L480-L495 HydrophobicContact CB-CD1 4.48Å; L480-L495 HydrophobicContact CD1-CB 4.38Å; L480-L496 HydrophobicContact CD1-CD2 3.95Å; L480-L496 HydrophobicContact CD1-CG 4.09Å; L480-L496 HydrophobicContact CD2-CD2 3.65Å; L480-L496 HydrophobicContact CG-CD2 4.48Å; L480-A500 HydrophobicContact CB-CB 4.04Å; L480-A500 HydrophobicContact CD2-CB 3.86Å; L480-A500 HydrophobicContact CG-CB 4.39Å; L480-P502 HydrophobicContact CD2-CB 4.01Å; L480-A512 HydrophobicContact CD2-CB 3.91Å; L480-A512 HydrophobicContact CG-CB 3.97Å; L480-L528 HydrophobicContact CD1-CD2 4.41Å; L480-L528 HydrophobicContact CD2-CD2 4.41Å
481H94.8Very high91Very high2 Ų227.9 Ų27.91%0.00914%0.142CC..Hα-helixtrans-60.4-42.2171.2-70.3130.7000111.8Q477 T478 C484 L485 L504 A506 Y510 T511 A512 I515Q477-H481 HydrophobicContact CB-CB 3.97Å; Q477-H481 HydrophobicContact CG-CB 4.13Å; T478-H481 PolarHBondContact N-ND1 3.02Å; T478-H481 VanDerWaalsContact N-ND1 3.17Å; T478-H481 WeakPolarHBondContact O-CB 3.42Å; T478-H481 PolarHBondContact O-N 3.49Å; T478-H481 PolarHBondContact OG1-N 2.83Å; T478-H481 PolarHBondContact OG1-ND1 3.45Å; H481-C484 CarbonylContact O-C 3.46Å; H481-C484 PolarHBondContact O-N 3.38Å; H481-L485 PolarHBondContact O-N 3.11Å; H481-L504 PolarHBondContact CE1-O 3.2Å; H481-L504 PolarHBondContact NE2-O 3.05Å; H481-L504 VanDerWaalsContact NE2-O 3.16Å; H481-A506 PolarHBondContact CE1-N 2.78Å; H481-Y510 PolarHBondContact NE2-O 2.98Å; H481-T511 WeakPolarHBondContact NE2-CA 3.38Å; H481-A512 PolarHBondContact CD2-N 3.47Å; H481-A512 PolarHBondContact NE2-N 3.05Å; H481-A512 VanDerWaalsContact NE2-N 3.15Å; H481-I515 HydrophobicContact CB-CD1 3.93Å
482V93.3Very high91Very high4 Ų427 Ų272%0.02414%0.135CC..Hα-helixtrans-67.9-38.4177.6-177.90000111.3V451 R452 T478 P479 L480 C484 L485 T486V451-V482 HydrophobicContact CG1-CB 4.1Å; V451-V482 HydrophobicContact CG1-CG1 4.05Å; R452-V482 HydrophobicContact CB-CG1 3.95Å; R452-V482 HydrophobicContact CG-CG1 4.48Å; T478-V482 PolarHBondContact O-N 3.42Å; P479-V482 PolarHBondContact O-N 3.12Å; L480-V482 VanDerWaalsContact C-N 3.32Å; L480-V482 PolarHBondContact O-N 3Å; V482-C484 VanDerWaalsContact C-N 3.34Å; V482-C484 PolarHBondContact O-N 3.4Å; V482-L485 CarbonylContact O-C 3.6Å; V482-L485 WeakPolarHBondContact O-CA 3.41Å; V482-L485 WeakPolarHBondContact O-CB 3.44Å; V482-L485 PolarHBondContact O-N 3.06Å; V482-T486 HydrophobicContact CG1-CG2 4.37Å; V482-T486 PolarHBondContact O-N 3.41Å; V482-T486 PolarHBondContact O-OG1 3.01Å
483A94.1Very high91Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-64.3-39.5174.100000111.8V451 P479 L480 L485 T486 G487 L491 I492 L495V451-A483 HydrophobicContact CG1-CB 3.69Å; P479-A483 WeakPolarHBondContact O-CB 3.46Å; P479-A483 PolarHBondContact O-N 2.94Å; L480-A483 PolarHBondContact O-N 3.23Å; A483-L485 PolarHBondContact O-N 3.24Å; A483-T486 PolarHBondContact O-N 3.33Å; A483-T486 PolarHBondContact O-OG1 2.87Å; A483-G487 PolarHBondContact O-N 2.84Å; A483-L491 HydrophobicContact CB-CB 4.36Å; A483-I492 HydrophobicContact CB-CD1 4.32Å; A483-I492 HydrophobicContact CB-CG1 3.56Å; A483-L495 HydrophobicContact CB-CD1 3.81Å
484C93.3Very high91.1Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-66.9-14.6170.8-68.80000113.8L480 H481 V482 I515 R521L480-C484 WeakPolarHBondContact O-CB 3.27Å; L480-C484 PolarHBondContact O-N 2.84Å; L480-C484 PolarHBondContact O-SG 3.12Å; H481-C484 CarbonylContact O-C 3.46Å; H481-C484 PolarHBondContact O-N 3.38Å; V482-C484 VanDerWaalsContact C-N 3.34Å; V482-C484 PolarHBondContact O-N 3.4Å; C484-I515 HydrophobicContact CB-CB 4.31Å; C484-I515 HydrophobicContact CB-CG2 3.94Å; C484-R521 PolarHBondContact O-NH1 3.01Å
485L91.2Very high91.6Very high38 Ų3819 Ų1920%0.19911%0.112CC..Hα-helixtrans-93.2-35.9169.6-72.5171.8000113.2H481 V482 A483 I515 E519 R521H481-L485 PolarHBondContact O-N 3.11Å; V482-L485 CarbonylContact O-C 3.6Å; V482-L485 WeakPolarHBondContact O-CA 3.41Å; V482-L485 WeakPolarHBondContact O-CB 3.44Å; V482-L485 PolarHBondContact O-N 3.06Å; A483-L485 PolarHBondContact O-N 3.24Å; L485-I515 HydrophobicContact CD2-CG2 3.59Å; L485-I515 HydrophobicContact CG-CD1 4.45Å; L485-I515 HydrophobicContact CG-CG2 3.84Å; L485-E519 HydrophobicContact CD2-CG 4.31Å; L485-R521 PolarHBondContact O-NH1 3.47Å; L485-R521 PolarHBondContact O-NH2 3.45Å
486T88.2Confident92Very high6 Ų618.5 Ų18.54%0.03711%0.109CC..Hα-helixtrans-78.2-2617759.60000114.4R452 R454 V482 A483 T488R452-T486 WeakPolarHBondContact O-CG2 3.36Å; R454-T486 PolarHBondContact NH1-O 2.81Å; V482-T486 HydrophobicContact CG1-CG2 4.37Å; V482-T486 PolarHBondContact O-N 3.41Å; V482-T486 PolarHBondContact O-OG1 3.01Å; A483-T486 PolarHBondContact O-N 3.33Å; A483-T486 PolarHBondContact O-OG1 2.87Å; T486-T488 PolarHBondContact OG1-OG1 3.38Å
487G84Confident92.1Very high28 Ų2820.5 Ų20.529%0.28913%0.129SC..THydrogen-bonded Turntrans83.337.3173.900000113.4A483 P489A483-G487 PolarHBondContact O-N 2.84Å; G487-P489 WeakPolarHBondContact O-CD 3.4Å
488T86.6Confident92.1Very high14 Ų1422.4 Ų22.49%0.08614%0.143CC..  trans-108.895.1-17439.80000110.6R454 T486 E490 L491 I492R454-T488 HydrophobicContact CB-CG2 3.94Å; R454-T488 HydrophobicContact CG-CG2 3.8Å; T486-T488 PolarHBondContact OG1-OG1 3.38Å; T488-E490 PolarHBondContact O-N 2.98Å; T488-L491 HydrophobicContact CG2-CD1 4.37Å; T488-L491 PolarHBondContact O-N 3.15Å; T488-L491 WeakPolarHBondContact OG1-CD1 3.5Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 3.5Å; T488-I492 VanDerWaalsContact O-N 3.07Å
489P87.8Confident91.8Very high38 Ų3830.8 Ų30.825%0.24718%0.179CC..Hα-helixtrans-62.1-28.1-175.824.4-32.8000112.7G487 I492 A493 L524G487-P489 WeakPolarHBondContact O-CD 3.4Å; P489-I492 PolarHBondContact O-N 3.25Å; P489-A493 WeakPolarHBondContact O-CB 3.4Å; P489-A493 PolarHBondContact O-N 3.27Å; P489-L524 HydrophobicContact CB-CD2 3.9Å
490E91.4Very high91.7Very high112 Ų11231.1 Ų31.152%0.52318%0.182SC..Hα-helixtrans-65.7-46.3175.7-57.872.9-160.700111.4V456 T488 I492 A493 V494V456-E490 HydrophobicContact CG2-CB 4.04Å; T488-E490 PolarHBondContact O-N 2.98Å; E490-I492 VanDerWaalsContact C-N 3.31Å; E490-I492 PolarHBondContact O-N 3.03Å; E490-A493 PolarHBondContact O-N 3.11Å; E490-V494 WeakPolarHBondContact O-CB 3.38Å; E490-V494 WeakPolarHBondContact O-CG2 3.44Å; E490-V494 PolarHBondContact O-N 3.33Å
491L92.7Very high91.6Very high0 Ų034.2 Ų34.20%020%0.199CC..Hα-helixtrans-66.7-35176.3-79.2172.2000111.7V451 V456 A459 A483 T488 L495V451-L491 HydrophobicContact CB-CD1 4.37Å; V451-L491 HydrophobicContact CG1-CD1 4.26Å; V451-L491 HydrophobicContact CG2-CD1 4.43Å; V451-L491 HydrophobicContact CG2-CD2 4.15Å; V456-L491 HydrophobicContact CB-CD2 4.47Å; V456-L491 HydrophobicContact CG2-CD2 4.34Å; V456-L491 HydrophobicContact CG2-CG 4.12Å; A459-L491 HydrophobicContact CB-CD2 3.52Å; A483-L491 HydrophobicContact CB-CB 4.36Å; T488-L491 HydrophobicContact CG2-CD1 4.37Å; T488-L491 PolarHBondContact O-N 3.15Å; T488-L491 WeakPolarHBondContact OG1-CD1 3.5Å; L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 WeakPolarHBondContact O-CD1 3.4Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.9Å
492I92.9Very high91.5Very high0 Ų034.3 Ų34.30%020%0.199CC..Hα-helixtrans-65.8-46.8174.4-69.4170.7000110.3L480 A483 T488 P489 E490 V494 L495 L496 L524L480-I492 HydrophobicContact CD1-CG1 4.35Å; L480-I492 HydrophobicContact CD1-CG2 4.2Å; A483-I492 HydrophobicContact CB-CD1 4.32Å; A483-I492 HydrophobicContact CB-CG1 3.56Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 3.5Å; T488-I492 VanDerWaalsContact O-N 3.07Å; P489-I492 PolarHBondContact O-N 3.25Å; E490-I492 VanDerWaalsContact C-N 3.31Å; E490-I492 PolarHBondContact O-N 3.03Å; I492-V494 PolarHBondContact O-N 3.11Å; I492-L495 PolarHBondContact O-N 3.24Å; I492-L496 HydrophobicContact CG2-CD1 3.56Å; I492-L496 HydrophobicContact CG2-CG 4.13Å; I492-L496 VanDerWaalsContact O-CB 3.32Å; I492-L496 WeakPolarHBondContact O-CB 3.33Å; I492-L496 VanDerWaalsContact O-CG 3.22Å; I492-L496 WeakPolarHBondContact O-CG 3.22Å; I492-L496 PolarHBondContact O-N 3.2Å; I492-L524 HydrophobicContact CD1-CD1 3.42Å; I492-L524 VanDerWaalsContact CD1-CD1 3.42Å; I492-L524 HydrophobicContact CD1-CD2 3.59Å; I492-L524 HydrophobicContact CD1-CG 4.02Å
493A92.4Very high91.6Very high45 Ų4537 Ų3737%0.37221%0.213SC..Hα-helixtrans-60.9-43.2175.700000112.6P489 E490 S497P489-A493 WeakPolarHBondContact O-CB 3.4Å; P489-A493 PolarHBondContact O-N 3.27Å; E490-A493 PolarHBondContact O-N 3.11Å; A493-S497 VanDerWaalsContact O-CB 3.24Å; A493-S497 WeakPolarHBondContact O-CB 3.32Å; A493-S497 PolarHBondContact O-N 2.69Å; A493-S497 PolarHBondContact O-OG 2.76Å
494V92.9Very high91.6Very high17 Ų1739 Ų3910%0.10322%0.224CC..Hα-helixtrans-59.7-52.2173.4167.70000110.6V456 E460 I463 E490 I492 L496 S497 C498V456-V494 HydrophobicContact CG1-CG2 4.34Å; E460-V494 HydrophobicContact CG-CG1 3.9Å; E460-V494 HydrophobicContact CG-CG2 3.94Å; I463-V494 HydrophobicContact CD1-CG1 3.89Å; E490-V494 WeakPolarHBondContact O-CB 3.38Å; E490-V494 WeakPolarHBondContact O-CG2 3.44Å; E490-V494 PolarHBondContact O-N 3.33Å; I492-V494 PolarHBondContact O-N 3.11Å; V494-L496 PolarHBondContact O-N 3.35Å; V494-S497 PolarHBondContact O-N 2.86Å; V494-S497 PolarHBondContact O-OG 3.34Å; V494-C498 WeakPolarHBondContact O-CB 3.41Å; V494-C498 PolarHBondContact O-N 2.84Å; V494-C498 PolarHBondContact O-SG 2.86Å
495L95Very high91.5Very high0 Ų041.7 Ų41.70%024%0.242CC..Hα-helixtrans-62.7-44.8-178.8-71.6168.1000112.4L447 V451 I463 V469 P479 L480 A483 L491 I492 C498 K499 A500L447-L495 HydrophobicContact CD2-CD2 4.22Å; V451-L495 HydrophobicContact CG2-CD1 4.07Å; I463-L495 HydrophobicContact CD1-CD2 3.99Å; V469-L495 HydrophobicContact CG1-CD2 3.92Å; P479-L495 HydrophobicContact CB-CD1 4.07Å; P479-L495 HydrophobicContact CB-CD2 3.83Å; L480-L495 HydrophobicContact CB-CD1 4.48Å; L480-L495 HydrophobicContact CD1-CB 4.38Å; A483-L495 HydrophobicContact CB-CD1 3.81Å; L491-L495 VanDerWaalsContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 WeakPolarHBondContact O-CD1 3.4Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.9Å; I492-L495 PolarHBondContact O-N 3.24Å; L495-C498 CarbonylContact O-C 3.57Å; L495-C498 PolarHBondContact O-N 2.7Å; L495-K499 PolarHBondContact O-N 3.24Å; L495-A500 HydrophobicContact CB-CB 3.97Å; L495-A500 WeakPolarHBondContact O-CB 3.45Å; L495-A500 PolarHBondContact O-N 2.83Å
496L93.4Very high91.6Very high24 Ų2440.3 Ų40.313%0.12624%0.235CC..Hα-helixtrans-67.8-42.2179.7-67.5176.3000112L480 I492 V494 C498 K499 A500 Q527 L528 A531L480-L496 HydrophobicContact CD1-CD2 3.95Å; L480-L496 HydrophobicContact CD1-CG 4.09Å; L480-L496 HydrophobicContact CD2-CD2 3.65Å; L480-L496 HydrophobicContact CG-CD2 4.48Å; I492-L496 HydrophobicContact CG2-CD1 3.56Å; I492-L496 HydrophobicContact CG2-CG 4.13Å; I492-L496 VanDerWaalsContact O-CB 3.32Å; I492-L496 WeakPolarHBondContact O-CB 3.33Å; I492-L496 VanDerWaalsContact O-CG 3.22Å; I492-L496 WeakPolarHBondContact O-CG 3.22Å; I492-L496 PolarHBondContact O-N 3.2Å; V494-L496 PolarHBondContact O-N 3.35Å; L496-C498 PolarHBondContact O-N 3.37Å; L496-K499 WeakPolarHBondContact O-CA 3.15Å; L496-K499 PolarHBondContact O-N 2.89Å; L496-A500 HydrophobicContact CD2-CB 4.36Å; L496-Q527 HydrophobicContact CD1-CB 4.15Å; L496-L528 HydrophobicContact CD1-CD2 4.32Å; L496-L528 HydrophobicContact CD2-CD2 4.49Å; L496-A531 HydrophobicContact CB-CB 4.35Å; L496-A531 HydrophobicContact CD1-CB 3.95Å; L496-A531 HydrophobicContact CD2-CB 3.71Å; L496-A531 HydrophobicContact CG-CB 4.22Å
497S91.7Very high91.5Very high90 Ų9043.2 Ų43.263%0.62925%0.246SC*.Hα-helixtrans-62.7-33.1174.166.40000112.2A493 V494 K499A493-S497 VanDerWaalsContact O-CB 3.24Å; A493-S497 WeakPolarHBondContact O-CB 3.32Å; A493-S497 PolarHBondContact O-N 2.69Å; A493-S497 PolarHBondContact O-OG 2.76Å; V494-S497 PolarHBondContact O-N 2.86Å; V494-S497 PolarHBondContact O-OG 3.34Å; S497-K499 PolarHBondContact O-N 3.05Å
498C91.1Very high91.5Very high52 Ų5242.9 Ų42.935%0.35124%0.237SC..THydrogen-bonded Turntrans-81.416.2170.5-61.60000114.5I463 V469 V494 L495 L496I463-C498 HydrophobicContact CG2-CB 3.85Å; V469-C498 HydrophobicContact CG2-CB 4.04Å; V494-C498 WeakPolarHBondContact O-CB 3.41Å; V494-C498 PolarHBondContact O-N 2.84Å; V494-C498 PolarHBondContact O-SG 2.86Å; L495-C498 CarbonylContact O-C 3.57Å; L495-C498 PolarHBondContact O-N 2.7Å; L496-C498 PolarHBondContact O-N 3.37Å
499K89.8Confident91.7Very high176 Ų17642.9 Ų42.977%0.76524%0.24SC*.THydrogen-bonded Turntrans64.639.7175-52.4176.2-176.4173.50114.6N470 L495 L496 S497 N501N470-K499 PolarHBondContact ND2-O 2.64Å; L495-K499 PolarHBondContact O-N 3.24Å; L496-K499 WeakPolarHBondContact O-CA 3.15Å; L496-K499 PolarHBondContact O-N 2.89Å; S497-K499 PolarHBondContact O-N 3.05Å; K499-N501 PolarHBondContact O-N 2.89Å
500A93.6Very high91.9Very high7 Ų742.1 Ų42.16%0.05823%0.232CC..  trans-57135.1156.800000109.8V469 N470 L480 L495 L496 P502V469-A500 HydrophobicContact CG1-CB 3.59Å; N470-A500 WeakPolarHBondContact OD1-CA 3.29Å; L480-A500 HydrophobicContact CB-CB 4.04Å; L480-A500 HydrophobicContact CD2-CB 3.86Å; L480-A500 HydrophobicContact CG-CB 4.39Å; L495-A500 HydrophobicContact CB-CB 3.97Å; L495-A500 WeakPolarHBondContact O-CB 3.45Å; L495-A500 PolarHBondContact O-N 2.83Å; L496-A500 HydrophobicContact CD2-CB 4.36Å; A500-P502 WeakPolarHBondContact O-CD 3.49Å
501N93.3Very high92.1Very high66 Ų6637.1 Ų37.135%0.35321%0.209SC..  trans-93.9109.3179.5178.61.8000109.6N470 K499 N503 L504N470-N501 PolarHBondContact OD1-N 3.43Å; K499-N501 PolarHBondContact O-N 2.89Å; N501-N503 PolarHBondContact O-N 3.32Å; N501-N503 WeakPolarHBondContact OD1-CB 3.41Å; N501-N503 PolarHBondContact OD1-N 2.82Å; N501-L504 HydrophobicContact CB-CD1 4.06Å; N501-L504 HydrophobicContact CB-CG 3.98Å; N501-L504 PolarHBondContact O-N 3.23Å
502P93.5Very high92.1Very high4 Ų437.1 Ų37.13%0.02621%0.209CC..THydrogen-bonded Turntrans-68.3-13.8-178.329.6-36.2000113.8L480 A500 A512 L528 A531 A533L480-P502 HydrophobicContact CD2-CB 4.01Å; A500-P502 WeakPolarHBondContact O-CD 3.49Å; P502-A512 HydrophobicContact CB-CB 4.22Å; P502-A512 PolarHBondContact O-N 2.94Å; P502-L528 HydrophobicContact CB-CD2 4.14Å; P502-A531 HydrophobicContact CG-CB 4.48Å; P502-A533 HydrophobicContact CB-CB 3.89Å; P502-A533 HydrophobicContact CG-CB 4.04Å
503N94.2Very high92.2Very high59 Ų5937.1 Ų37.132%0.31621%0.209SC..THydrogen-bonded Turntrans-95.20.6-175.3-60.4-47.4000114.3N501 P505 G532 A533 D534N501-N503 PolarHBondContact O-N 3.32Å; N501-N503 WeakPolarHBondContact OD1-CB 3.41Å; N501-N503 PolarHBondContact OD1-N 2.82Å; N503-P505 WeakPolarHBondContact O-CD 3.36Å; N503-G532 PolarHBondContact ND2-O 2.73Å; N503-A533 VanDerWaalsContact OD1-CA 3.32Å; N503-A533 WeakPolarHBondContact OD1-CA 3.37Å; N503-D534 PolarHBondContact OD1-N 3.11Å
504L93.7Very high92.3Very high42 Ų4235 Ų3522%0.2219%0.192CC..PPolyproline II helixtrans-66.5127.8168.9-67.9173.1000108.3N470 T478 H481 N501N470-L504 HydrophobicContact CB-CD1 3.94Å; T478-L504 HydrophobicContact CG2-CB 4.43Å; T478-L504 HydrophobicContact CG2-CD1 3.99Å; H481-L504 PolarHBondContact CE1-O 3.2Å; H481-L504 PolarHBondContact NE2-O 3.05Å; H481-L504 VanDerWaalsContact NE2-O 3.16Å; N501-L504 HydrophobicContact CB-CD1 4.06Å; N501-L504 HydrophobicContact CB-CG 3.98Å; N501-L504 PolarHBondContact O-N 3.23Å
505P93Very high92.3Very high58 Ų5834.6 Ų34.638%0.37719%0.189SC..PPolyproline II helixtrans-81.4142171.232.4-33.4000110.6K472 N503 Y510K472-P505 PolarHBondContact NZ-O 2.74Å; N503-P505 WeakPolarHBondContact O-CD 3.36Å; P505-Y510 WeakPolarHBondContact CA-O 3.16Å
506A91.6Very high92.2Very high8 Ų834.6 Ų34.67%0.06619%0.189CC..PPolyproline II helixtrans-71.6169.9152.200000110.3Q477 H481 D508 G509 Y510Q477-A506 HydrophobicContact CG-CB 3.94Å; H481-A506 PolarHBondContact CE1-N 2.78Å; A506-D508 PolarHBondContact O-N 3.31Å; A506-G509 PolarHBondContact O-N 3.42Å; A506-Y510 WeakPolarHBondContact CB-O 3.4Å; A506-Y510 PolarHBondContact N-O 3.33Å
507R87.3Confident92.2Very high68 Ų6833.4 Ų33.426%0.25718%0.183SC..THydrogen-bonded Turntrans-49.8-33.6-166.2-169.6176-180-167.4-6.5116.1D475 K540D475-R507 HydrophobicContact CB-CB 4.17Å; D475-R507 WeakPolarHBondContact O-CB 3.15Å; D475-R507 PolarHBondContact O-N 2.86Å; D475-R507 VanDerWaalsContact OD1-CD 3.25Å; D475-R507 WeakPolarHBondContact OD1-CD 3.22Å; D475-R507 IonicContact OD1-CZ 3.72Å; D475-R507 IonicContact OD1-NE 3.35Å; D475-R507 IonicContact OD1-NH1 2.76Å; D475-R507 PolarHBondContact OD1-NH1 3.24Å; R507-K540 WeakPolarHBondContact O-CE 3.42Å; R507-K540 PolarHBondContact O-NZ 3.19Å
508D84.2Confident92.3Very high21 Ų2129.6 Ų29.611%0.11216%0.155CC..THydrogen-bonded Turntrans-10013.6-174.6-43-43.8000112.7A506 Y510 K540 S1491A506-D508 PolarHBondContact O-N 3.31Å; D508-Y510 HydrophobicContact CB-CD2 4.13Å; D508-K540 PolarHBondContact O-N 3.46Å; D508-S1491 WeakPolarHBondContact OD1-CB 3.37Å
509G89.4Confident92.3Very high13 Ų1329.2 Ų29.213%0.13415%0.148CC..SBendtrans84.19.2-178.800000114.6A506 T511 H514A506-G509 PolarHBondContact O-N 3.42Å; G509-T511 PolarHBondContact O-N 2.9Å; G509-H514 PolarHBondContact O-ND1 3.31Å
510Y93.1Very high92.3Very high23 Ų2321.7 Ų21.79%0.0912%0.12CC..  trans-74.8120.2173.5-80-98.3000110.5H481 P505 A506 D508 H514 I515 K518 T539 L548 V1494H481-Y510 PolarHBondContact NE2-O 2.98Å; P505-Y510 WeakPolarHBondContact CA-O 3.16Å; A506-Y510 WeakPolarHBondContact CB-O 3.4Å; A506-Y510 PolarHBondContact N-O 3.33Å; D508-Y510 HydrophobicContact CB-CD2 4.13Å; Y510-H514 HydrophobicContact CD1-CB 3.59Å; Y510-H514 HydrophobicContact CE1-CB 4.31Å; Y510-H514 HydrophobicContact CG-CB 4.2Å; Y510-I515 HydrophobicContact CD1-CG1 4.42Å; Y510-K518 HydrophobicContact CD1-CD 4.34Å; Y510-K518 HydrophobicContact CE1-CD 3.65Å; Y510-T539 HydrophobicContact CD1-CG2 4.36Å; Y510-T539 HydrophobicContact CD2-CG2 3.93Å; Y510-T539 HydrophobicContact CE1-CG2 4.21Å; Y510-T539 HydrophobicContact CE2-CG2 3.81Å; Y510-T539 HydrophobicContact CG-CG2 4.22Å; Y510-L548 HydrophobicContact CD1-CD1 4.23Å; Y510-L548 HydrophobicContact CE1-CD1 3.63Å; Y510-L548 HydrophobicContact CE1-CD2 4.14Å; Y510-L548 WeakPolarHBondContact OH-CD2 3.49Å; Y510-V1494 WeakPolarHBondContact OH-CG1 3.28Å
511T95.1Very high92.1Very high6 Ų623.8 Ų23.84%0.03713%0.126CC..  trans-89.5174.4168.759.80000110.8H481 G509 L513 H514 I515 A537H481-T511 WeakPolarHBondContact NE2-CA 3.38Å; G509-T511 PolarHBondContact O-N 2.9Å; T511-L513 PolarHBondContact O-N 2.96Å; T511-H514 PolarHBondContact N-ND1 2.81Å; T511-H514 PolarHBondContact O-N 3.3Å; T511-H514 PolarHBondContact OG1-N 2.98Å; T511-I515 PolarHBondContact O-N 3.42Å; T511-A537 HydrophobicContact CG2-CB 3.98Å
512A93.5Very high91.9Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-57-35.1173.600000112.1L480 H481 P502 A516 L528L480-A512 HydrophobicContact CD2-CB 3.91Å; L480-A512 HydrophobicContact CG-CB 3.97Å; H481-A512 PolarHBondContact CD2-N 3.47Å; H481-A512 PolarHBondContact NE2-N 3.05Å; H481-A512 VanDerWaalsContact NE2-N 3.15Å; P502-A512 HydrophobicContact CB-CB 4.22Å; P502-A512 PolarHBondContact O-N 2.94Å; A512-A516 WeakPolarHBondContact O-CB 3.37Å; A512-A516 PolarHBondContact O-N 2.93Å; A512-L528 HydrophobicContact CB-CD2 3.91Å
513L94.5Very high91.6Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-70.7-41.8173.9-175.264.7000112.2T511 I515 A516 C517 L525 L529 A533 L535 A545T511-L513 PolarHBondContact O-N 2.96Å; L513-I515 VanDerWaalsContact C-N 3.32Å; L513-I515 PolarHBondContact O-N 2.97Å; L513-A516 PolarHBondContact O-N 3.3Å; L513-C517 VanDerWaalsContact O-CB 3.3Å; L513-C517 WeakPolarHBondContact O-CB 3.49Å; L513-C517 PolarHBondContact O-N 3.34Å; L513-C517 PolarHBondContact O-SG 3.35Å; L513-L525 HydrophobicContact CD1-CG 4.04Å; L513-L529 HydrophobicContact CD1-CD2 4.38Å; L513-L529 HydrophobicContact CD2-CD2 4.02Å; L513-A533 HydrophobicContact CB-CB 4.02Å; L513-A533 HydrophobicContact CD2-CB 4.11Å; L513-L535 HydrophobicContact CD2-CD2 4.29Å; L513-L535 HydrophobicContact CD2-CG 4.46Å; L513-A545 HydrophobicContact CD2-CB 4.35Å; L513-A545 HydrophobicContact CG-CB 4.26Å
514H94.3Very high91.4Very high1 Ų124.7 Ų24.71%0.00513%0.129CC..Hα-helixtrans-59.5-42.3174.3-69.8158000112G509 Y510 T511 C517 K518 A537 A545 L548G509-H514 PolarHBondContact O-ND1 3.31Å; Y510-H514 HydrophobicContact CD1-CB 3.59Å; Y510-H514 HydrophobicContact CE1-CB 4.31Å; Y510-H514 HydrophobicContact CG-CB 4.2Å; T511-H514 PolarHBondContact N-ND1 2.81Å; T511-H514 PolarHBondContact O-N 3.3Å; T511-H514 PolarHBondContact OG1-N 2.98Å; H514-C517 PolarHBondContact O-N 2.92Å; H514-K518 VanDerWaalsContact O-CB 3.23Å; H514-K518 WeakPolarHBondContact O-CB 3.3Å; H514-K518 PolarHBondContact O-N 3.34Å; H514-A537 VanDerWaalsContact CE1-C 3.49Å; H514-A537 PolarHBondContact CE1-O 3.16Å; H514-A537 PolarHBondContact NE2-O 3.33Å; H514-A537 VanDerWaalsContact NE2-O 3.15Å; H514-A545 PolarHBondContact CD2-N 2.78Å; H514-A545 PolarHBondContact NE2-N 2.8Å; H514-L548 HydrophobicContact CB-CD1 3.7Å
515I93.2Very high91.2Very high8 Ų822.8 Ų22.84%0.04112%0.119CC..Hα-helixtrans-64.7-53.4175.4-63.6-175.5000110.6H481 C484 L485 Y510 T511 L513 C517 K518 E519H481-I515 HydrophobicContact CB-CD1 3.93Å; C484-I515 HydrophobicContact CB-CB 4.31Å; C484-I515 HydrophobicContact CB-CG2 3.94Å; L485-I515 HydrophobicContact CD2-CG2 3.59Å; L485-I515 HydrophobicContact CG-CD1 4.45Å; L485-I515 HydrophobicContact CG-CG2 3.84Å; Y510-I515 HydrophobicContact CD1-CG1 4.42Å; T511-I515 PolarHBondContact O-N 3.42Å; L513-I515 VanDerWaalsContact C-N 3.32Å; L513-I515 PolarHBondContact O-N 2.97Å; I515-C517 PolarHBondContact O-N 3.5Å; I515-C517 VanDerWaalsContact O-N 3.15Å; I515-K518 PolarHBondContact O-N 3.47Å; I515-E519 HydrophobicContact CG2-CG 4.11Å; I515-E519 WeakPolarHBondContact O-CG 3.45Å; I515-E519 PolarHBondContact O-N 3.36Å
516A93.3Very high91Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-57.4-34.1179.700000112.8A512 L513 G520 R521 L524 L525 L528A512-A516 WeakPolarHBondContact O-CB 3.37Å; A512-A516 PolarHBondContact O-N 2.93Å; L513-A516 PolarHBondContact O-N 3.3Å; A516-G520 PolarHBondContact O-N 3.31Å; A516-R521 PolarHBondContact O-N 2.83Å; A516-L524 HydrophobicContact CB-CB 4.48Å; A516-L525 HydrophobicContact CB-CD1 4.22Å; A516-L528 HydrophobicContact CB-CD1 3.55Å
517C93.2Very high90.8Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-75.4-34.7175.8-63.50000113.6L513 H514 I515 A545 H554 V557L513-C517 VanDerWaalsContact O-CB 3.3Å; L513-C517 WeakPolarHBondContact O-CB 3.49Å; L513-C517 PolarHBondContact O-N 3.34Å; L513-C517 PolarHBondContact O-SG 3.35Å; H514-C517 PolarHBondContact O-N 2.92Å; I515-C517 PolarHBondContact O-N 3.5Å; I515-C517 VanDerWaalsContact O-N 3.15Å; C517-A545 HydrophobicContact CB-CB 4.32Å; C517-H554 PolarHBondContact O-CD2 3.29Å; C517-V557 HydrophobicContact CB-CG1 3.69Å
518K92.1Very high91.1Very high10 Ų1020.8 Ų20.84%0.04312%0.115CC..Hα-helixtrans-69.6-33.6174.2176.4-176.9158.1100.50112.1Y510 H514 I515 R552 H554 D896Y510-K518 HydrophobicContact CD1-CD 4.34Å; Y510-K518 HydrophobicContact CE1-CD 3.65Å; H514-K518 VanDerWaalsContact O-CB 3.23Å; H514-K518 WeakPolarHBondContact O-CB 3.3Å; H514-K518 PolarHBondContact O-N 3.34Å; I515-K518 PolarHBondContact O-N 3.47Å; K518-R552 VanDerWaalsContact CE-NH2 3.31Å; K518-R552 WeakPolarHBondContact O-CD 3.49Å; K518-R552 WeakPolarHBondContact O-CG 3.38Å; K518-R552 PolarHBondContact O-NE 2.84Å; K518-H554 PolarHBondContact O-CD2 3.35Å; K518-H554 PolarHBondContact O-NE2 2.85Å; K518-D896 IonicContact NZ-OD1 2.72Å; K518-D896 PolarHBondContact NZ-OD1 3.01Å; K518-D896 IonicContact NZ-OD2 2.68Å; K518-D896 PolarHBondContact NZ-OD2 3Å
519E91.6Very high91.4Very high44 Ų4422 Ų2221%0.20612%0.122CC..THydrogen-bonded Turntrans-91.94.9179-56.4-49.4120.800113.9L485 I515 R521L485-E519 HydrophobicContact CD2-CG 4.31Å; I515-E519 HydrophobicContact CG2-CG 4.11Å; I515-E519 WeakPolarHBondContact O-CG 3.45Å; I515-E519 PolarHBondContact O-N 3.36Å; E519-R521 HydrophobicContact CB-CG 4.01Å; E519-R521 WeakPolarHBondContact O-CG 3.41Å; E519-R521 PolarHBondContact O-N 3.21Å
520G89.7Confident91.4Very high17 Ų1729.8 Ų29.818%0.17515%0.154CC..THydrogen-bonded Turntrans78.113.5172.700000116.3A516 H522 H554 V557A516-G520 PolarHBondContact O-N 3.31Å; G520-H522 VanDerWaalsContact C-N 3.31Å; G520-H522 PolarHBondContact O-N 3.17Å; G520-H554 VanDerWaalsContact CA-CD2 3.48Å; G520-H554 WeakPolarHBondContact CA-CD2 3.36Å; G520-H554 WeakPolarHBondContact CA-NE2 3.37Å; G520-H554 PolarHBondContact N-CD2 2.92Å; G520-H554 PolarHBondContact N-NE2 3.33Å; G520-V557 VanDerWaalsContact C-CG2 3.44Å
521R89.6Confident91.3Very high51 Ų5130.8 Ų30.819%0.19217%0.167CC..  trans-87.765.7-163-56.2-172.8178.7170.5-6.8113.2C484 L485 A516 E519 D523 L524 L525C484-R521 PolarHBondContact O-NH1 3.01Å; L485-R521 PolarHBondContact O-NH1 3.47Å; L485-R521 PolarHBondContact O-NH2 3.45Å; A516-R521 PolarHBondContact O-N 2.83Å; E519-R521 HydrophobicContact CB-CG 4.01Å; E519-R521 WeakPolarHBondContact O-CG 3.41Å; E519-R521 PolarHBondContact O-N 3.21Å; R521-D523 VanDerWaalsContact C-OD1 3.25Å; R521-D523 WeakPolarHBondContact CA-OD1 3.49Å; R521-D523 PolarHBondContact O-N 3.27Å; R521-D523 VanDerWaalsContact O-N 3.16Å; R521-L524 HydrophobicContact CB-CB 4.22Å; R521-L524 HydrophobicContact CB-CD1 3.65Å; R521-L524 HydrophobicContact CB-CG 3.9Å; R521-L524 HydrophobicContact CG-CD1 4.25Å; R521-L524 WeakPolarHBondContact O-CB 3.34Å; R521-L524 PolarHBondContact O-N 3Å; R521-L525 VanDerWaalsContact O-CD1 3.28Å; R521-L525 WeakPolarHBondContact O-CD1 3.39Å; R521-L525 PolarHBondContact O-N 3.05Å
522H89Confident91.1Very high63 Ų6332.6 Ų32.629%0.29219%0.187SC..Hα-helixtrans-52.5-26.717868.2-54.3000115.2G520 K556 V557 Q560G520-H522 VanDerWaalsContact C-N 3.31Å; G520-H522 PolarHBondContact O-N 3.17Å; H522-K556 HydrophobicContact CB-CB 3.94Å; H522-K556 WeakPolarHBondContact CD2-CD 3.33Å; H522-K556 WeakPolarHBondContact NE2-CD 3.28Å; H522-K556 PolarHBondContact NE2-NZ 2.99Å; H522-K556 VanDerWaalsContact NE2-NZ 3.2Å; H522-V557 HydrophobicContact CB-CG2 4.09Å; H522-Q560 PolarHBondContact O-NE2 3.15Å; H522-Q560 PolarHBondContact O-OE1 3.38Å; H522-Q560 VanDerWaalsContact O-OE1 3.06Å
523D88.9Confident91.1Very high85 Ų8533 Ų3346%0.45519%0.19SC..Hα-helixtrans-70.5-34.9173.555.6-59.6000112.9R521R521-D523 VanDerWaalsContact C-OD1 3.25Å; R521-D523 WeakPolarHBondContact CA-OD1 3.49Å; R521-D523 PolarHBondContact O-N 3.27Å; R521-D523 VanDerWaalsContact O-N 3.16Å
524L88.6Confident90.8Very high0 Ų036.3 Ų36.30%021%0.208CC..Hα-helixtrans-82.3-23.2-179.8-56.4-179.3000113.1P489 I492 A516 R521 G526 Q527 L528P489-L524 HydrophobicContact CB-CD2 3.9Å; I492-L524 HydrophobicContact CD1-CD1 3.42Å; I492-L524 VanDerWaalsContact CD1-CD1 3.42Å; I492-L524 HydrophobicContact CD1-CD2 3.59Å; I492-L524 HydrophobicContact CD1-CG 4.02Å; A516-L524 HydrophobicContact CB-CB 4.48Å; R521-L524 HydrophobicContact CB-CB 4.22Å; R521-L524 HydrophobicContact CB-CD1 3.65Å; R521-L524 HydrophobicContact CB-CG 3.9Å; R521-L524 HydrophobicContact CG-CD1 4.25Å; R521-L524 WeakPolarHBondContact O-CB 3.34Å; R521-L524 PolarHBondContact O-N 3Å; L524-G526 VanDerWaalsContact C-N 3.29Å; L524-G526 PolarHBondContact O-N 2.88Å; L524-Q527 PolarHBondContact O-N 3.21Å; L524-L528 HydrophobicContact CB-CD1 4.45Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 2.76Å
525L90.3Very high90.5Very high2 Ų237.9 Ų37.91%0.0122%0.216CC..Hα-helixtrans-56.4-41-178.5-99.971.7000112.4L513 A516 R521 L528 L529 V557 Q560 L561L513-L525 HydrophobicContact CD1-CG 4.04Å; A516-L525 HydrophobicContact CB-CD1 4.22Å; R521-L525 VanDerWaalsContact O-CD1 3.28Å; R521-L525 WeakPolarHBondContact O-CD1 3.39Å; R521-L525 PolarHBondContact O-N 3.05Å; L525-L528 PolarHBondContact O-N 2.65Å; L525-L529 WeakPolarHBondContact O-CB 3.38Å; L525-L529 WeakPolarHBondContact O-CG 3.5Å; L525-L529 PolarHBondContact O-N 2.61Å; L525-V557 HydrophobicContact CD1-CG1 4.25Å; L525-V557 HydrophobicContact CD1-CG2 4.41Å; L525-V557 HydrophobicContact CD2-CB 4.5Å; L525-V557 HydrophobicContact CD2-CG1 3.87Å; L525-Q560 HydrophobicContact CD2-CB 3.98Å; L525-L561 HydrophobicContact CD2-CD2 3.9Å; L525-L561 HydrophobicContact CD2-CG 3.93Å
526G87.7Confident90.2Very high34 Ų3441.5 Ų41.535%0.35124%0.236SC..Hα-helixtrans-58.1-52.5177.600000112.1L524 L528 L529 E530L524-G526 VanDerWaalsContact C-N 3.29Å; L524-G526 PolarHBondContact O-N 2.88Å; G526-L528 PolarHBondContact O-N 3.02Å; G526-L529 PolarHBondContact O-N 3.18Å; G526-E530 WeakPolarHBondContact O-CB 3.33Å; G526-E530 WeakPolarHBondContact O-CG 3.45Å; G526-E530 PolarHBondContact O-N 3.45Å
527Q89.2Confident90.1Very high58 Ų5842.3 Ų42.327%0.27124%0.242SC..Hα-helixtrans-62.3-42-178.9-56.6-175.539.200112.4L496 L524 A531L496-Q527 HydrophobicContact CD1-CB 4.15Å; L524-Q527 PolarHBondContact O-N 3.21Å; Q527-A531 WeakPolarHBondContact O-CB 3.37Å; Q527-A531 PolarHBondContact O-N 3.17Å
528L92.5Very high90Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-66.8-40.8178.7-71.1169.4000112L480 L496 P502 A512 A516 L524 L525 G526 A531 G532 A533L480-L528 HydrophobicContact CD1-CD2 4.41Å; L480-L528 HydrophobicContact CD2-CD2 4.41Å; L496-L528 HydrophobicContact CD1-CD2 4.32Å; L496-L528 HydrophobicContact CD2-CD2 4.49Å; P502-L528 HydrophobicContact CB-CD2 4.14Å; A512-L528 HydrophobicContact CB-CD2 3.91Å; A516-L528 HydrophobicContact CB-CD1 3.55Å; L524-L528 HydrophobicContact CB-CD1 4.45Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 2.76Å; L525-L528 PolarHBondContact O-N 2.65Å; G526-L528 PolarHBondContact O-N 3.02Å; L528-A531 CarbonylContact O-C 3.58Å; L528-A531 PolarHBondContact O-N 3.33Å; L528-G532 PolarHBondContact O-N 3.17Å; L528-A533 HydrophobicContact CB-CB 4.15Å; L528-A533 WeakPolarHBondContact O-CB 3.5Å; L528-A533 PolarHBondContact O-N 2.81Å
529L90.7Very high89.9Confident48 Ų4848.7 Ų48.725%0.25127%0.267SS..Hα-helixtrans-71.9-38.5178.5-67.1172.7000112.1L513 L525 G526 A531 G532 A533 L535 A564L513-L529 HydrophobicContact CD1-CD2 4.38Å; L513-L529 HydrophobicContact CD2-CD2 4.02Å; L525-L529 WeakPolarHBondContact O-CB 3.38Å; L525-L529 WeakPolarHBondContact O-CG 3.5Å; L525-L529 PolarHBondContact O-N 2.61Å; G526-L529 PolarHBondContact O-N 3.18Å; L529-A531 VanDerWaalsContact C-N 3.29Å; L529-A531 PolarHBondContact O-N 3.23Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.46Å; L529-A533 HydrophobicContact CD2-CB 4.49Å; L529-L535 HydrophobicContact CD1-CD2 4.42Å; L529-L535 HydrophobicContact CD2-CD1 3.97Å; L529-L535 HydrophobicContact CD2-CD2 3.7Å; L529-L535 HydrophobicContact CD2-CG 3.62Å; L529-A564 HydrophobicContact CD1-CB 4.15Å
530E89.8Confident89.7Confident176 Ų17651.9 Ų51.982%0.82228%0.28SS*.Hα-helixtrans-63.8-33.7172.2-74.3176.3-169.500112.2G526 G532G526-E530 WeakPolarHBondContact O-CB 3.33Å; G526-E530 WeakPolarHBondContact O-CG 3.45Å; G526-E530 PolarHBondContact O-N 3.45Å; E530-G532 PolarHBondContact O-N 3.39Å
531A90.4Very high89.3Confident43 Ų4352.1 Ų52.136%0.35528%0.276SS..THydrogen-bonded Turntrans-78.15.8170.200000114.4L496 P502 Q527 L528 L529L496-A531 HydrophobicContact CB-CB 4.35Å; L496-A531 HydrophobicContact CD1-CB 3.95Å; L496-A531 HydrophobicContact CD2-CB 3.71Å; L496-A531 HydrophobicContact CG-CB 4.22Å; P502-A531 HydrophobicContact CG-CB 4.48Å; Q527-A531 WeakPolarHBondContact O-CB 3.37Å; Q527-A531 PolarHBondContact O-N 3.17Å; L528-A531 CarbonylContact O-C 3.58Å; L528-A531 PolarHBondContact O-N 3.33Å; L529-A531 VanDerWaalsContact C-N 3.29Å; L529-A531 PolarHBondContact O-N 3.23Å
532G91.2Very high89.1Confident44 Ų4450.3 Ų50.345%0.45427%0.274SS..THydrogen-bonded Turntrans83.630.4172.600000115.5N503 L528 L529 E530N503-G532 PolarHBondContact ND2-O 2.73Å; L528-G532 PolarHBondContact O-N 3.17Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.46Å; E530-G532 PolarHBondContact O-N 3.39Å
533A92.5Very high89.2Confident8 Ų848 Ų487%0.06626%0.263CS..  trans-64.1131.2171.200000112.3P502 N503 L513 L528 L529 L535P502-A533 HydrophobicContact CB-CB 3.89Å; P502-A533 HydrophobicContact CG-CB 4.04Å; N503-A533 VanDerWaalsContact OD1-CA 3.32Å; N503-A533 WeakPolarHBondContact OD1-CA 3.37Å; L513-A533 HydrophobicContact CB-CB 4.02Å; L513-A533 HydrophobicContact CD2-CB 4.11Å; L528-A533 HydrophobicContact CB-CB 4.15Å; L528-A533 WeakPolarHBondContact O-CB 3.5Å; L528-A533 PolarHBondContact O-N 2.81Å; L529-A533 HydrophobicContact CD2-CB 4.49Å; A533-L535 PolarHBondContact O-N 2.92Å
534D89.4Confident89.4Confident70 Ų7044.4 Ų44.437%0.37424%0.244SC..  trans-80.5113-178.5-176.517.8000112.2N503 N536 A537N503-D534 PolarHBondContact OD1-N 3.11Å; D534-N536 PolarHBondContact O-N 3.16Å; D534-N536 VanDerWaalsContact OD1-CB 3.3Å; D534-N536 WeakPolarHBondContact OD1-CB 3.07Å; D534-N536 PolarHBondContact OD1-N 2.98Å; D534-N536 PolarHBondContact OD1-ND2 2.93Å; D534-A537 WeakPolarHBondContact O-CB 3.31Å; D534-A537 PolarHBondContact O-N 2.79Å; D534-A537 PolarHBondContact OD2-N 3.13Å
535L88.8Confident89.6Confident35 Ų3544.4 Ų44.418%0.18324%0.244CC..THydrogen-bonded Turntrans-60.2-19.6172.2-70.3152.1000113.6L513 L529 A533 L561 A564 Q565L513-L535 HydrophobicContact CD2-CD2 4.29Å; L513-L535 HydrophobicContact CD2-CG 4.46Å; L529-L535 HydrophobicContact CD1-CD2 4.42Å; L529-L535 HydrophobicContact CD2-CD1 3.97Å; L529-L535 HydrophobicContact CD2-CD2 3.7Å; L529-L535 HydrophobicContact CD2-CG 3.62Å; A533-L535 PolarHBondContact O-N 2.92Å; L535-L561 HydrophobicContact CD2-CD2 3.53Å; L535-A564 HydrophobicContact CD1-CB 3.98Å; L535-A564 HydrophobicContact CD2-CB 4.19Å; L535-Q565 HydrophobicContact CD1-CB 4.19Å
536N86.8Confident89.7Confident84 Ų8444.5 Ų44.545%0.44925%0.245SC..THydrogen-bonded Turntrans-100.9-0.1-175.6-53.5-90.2000113.1D534 Q565D534-N536 PolarHBondContact O-N 3.16Å; D534-N536 VanDerWaalsContact OD1-CB 3.3Å; D534-N536 WeakPolarHBondContact OD1-CB 3.07Å; D534-N536 PolarHBondContact OD1-N 2.98Å; D534-N536 PolarHBondContact OD1-ND2 2.93Å; N536-Q565 PolarHBondContact ND2-OE1 3.07Å; N536-Q565 VanDerWaalsContact ND2-OE1 3.07Å; N536-Q565 PolarHBondContact OD1-NE2 2.92Å; N536-Q565 PolarHBondContact OD1-OE1 3.17Å
537A90Very high90Very high16 Ų1642.9 Ų42.913%0.13223%0.228CC..  trans-52.9147.6168.900000110.3T511 H514 D534 T544T511-A537 HydrophobicContact CG2-CB 3.98Å; H514-A537 VanDerWaalsContact CE1-C 3.49Å; H514-A537 PolarHBondContact CE1-O 3.16Å; H514-A537 PolarHBondContact NE2-O 3.33Å; H514-A537 VanDerWaalsContact NE2-O 3.15Å; D534-A537 WeakPolarHBondContact O-CB 3.31Å; D534-A537 PolarHBondContact O-N 2.79Å; D534-A537 PolarHBondContact OD2-N 3.13Å; A537-T544 WeakPolarHBondContact O-CA 3.46Å
538R90.4Very high90.2Very high135 Ų13540.1 Ų40.151%0.50922%0.215SC..  trans-127.6139.9176.7-74.4179.6162.7140.5-10.3110.5G542 F543 T544 I572R538-G542 WeakPolarHBondContact CD-O 3.41Å; R538-G542 WeakPolarHBondContact CG-O 3.44Å; R538-G542 PolarHBondContact NE-O 3Å; R538-F543 CarbonylContact C-O 3.49Å; R538-F543 VanDerWaalsContact CA-O 3.31Å; R538-F543 WeakPolarHBondContact CA-O 3.17Å; R538-T544 HydrophobicContact CG-CG2 3.86Å; R538-I572 PolarHBondContact NH2-O 3.45Å
539T91.5Very high90.3Very high9 Ų940.1 Ų40.16%0.05522%0.215CC..  trans-70173.8165.9670000110.5Y510 K541 G542 F543 L548Y510-T539 HydrophobicContact CD1-CG2 4.36Å; Y510-T539 HydrophobicContact CD2-CG2 3.93Å; Y510-T539 HydrophobicContact CE1-CG2 4.21Å; Y510-T539 HydrophobicContact CE2-CG2 3.81Å; Y510-T539 HydrophobicContact CG-CG2 4.22Å; T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 3.28Å; T539-G542 WeakPolarHBondContact O-CA 3.47Å; T539-G542 PolarHBondContact O-N 2.83Å; T539-F543 PolarHBondContact N-O 3.28Å; T539-F543 PolarHBondContact OG1-N 2.92Å; T539-L548 HydrophobicContact CG2-CD1 4.12Å
540K86.4Confident90.4Very high112 Ų11237.9 Ų37.949%0.48720%0.203SC..THydrogen-bonded Turntrans-58.6-36.3175.7-73.9-175.7178.81770113.5R507 D508 G542 S1491R507-K540 WeakPolarHBondContact O-CE 3.42Å; R507-K540 PolarHBondContact O-NZ 3.19Å; D508-K540 PolarHBondContact O-N 3.46Å; K540-G542 PolarHBondContact O-N 3.22Å; K540-S1491 PolarHBondContact NZ-OG 3.18Å
541K82.6Confident90.6Very high21 Ų2129.6 Ų29.69%0.09117%0.165CC..THydrogen-bonded Turntrans-72.514.2171.1-63.3-160.2176.8-126.70114.3T539 F543 Q574 L836 D837 E894T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 3.28Å; K541-F543 HydrophobicContact CB-CD2 4.13Å; K541-F543 HydrophobicContact CB-CE2 4.03Å; K541-F543 HydrophobicContact CB-CZ 4.35Å; K541-F543 HydrophobicContact CD-CE2 4.32Å; K541-F543 PolarHBondContact O-N 3.01Å; K541-F543 VanDerWaalsContact O-N 3.11Å; K541-Q574 WeakPolarHBondContact O-CB 3.43Å; K541-L836 PolarHBondContact NZ-O 3.23Å; K541-L836 VanDerWaalsContact NZ-O 3.11Å; K541-D837 WeakPolarHBondContact CE-OD1 3.47Å; K541-D837 IonicContact NZ-OD1 3.3Å; K541-D837 PolarHBondContact NZ-OD1 3.4Å; K541-D837 IonicContact NZ-OD2 2.7Å; K541-D837 PolarHBondContact NZ-OD2 3Å; K541-E894 VanDerWaalsContact NZ-CD 3.31Å; K541-E894 IonicContact NZ-OE1 3.24Å; K541-E894 PolarHBondContact NZ-OE1 3.07Å; K541-E894 IonicContact NZ-OE2 2.81Å
542G85.4Confident90.6Very high14 Ų1428 Ų2814%0.14415%0.149CC..SBendtrans71.8-1.1179.300000116R538 T539 K540R538-G542 WeakPolarHBondContact CD-O 3.41Å; R538-G542 WeakPolarHBondContact CG-O 3.44Å; R538-G542 PolarHBondContact NE-O 3Å; T539-G542 WeakPolarHBondContact O-CA 3.47Å; T539-G542 PolarHBondContact O-N 2.83Å; K540-G542 PolarHBondContact O-N 3.22Å
543F91.1Very high90.6Very high15 Ų1526.9 Ų26.97%0.06614%0.138CC..  trans-72.5132.6-177-62.3-25.9000112R538 T539 K541 H547 L548 K551 I582R538-F543 CarbonylContact C-O 3.49Å; R538-F543 VanDerWaalsContact CA-O 3.31Å; R538-F543 WeakPolarHBondContact CA-O 3.17Å; T539-F543 PolarHBondContact N-O 3.28Å; T539-F543 PolarHBondContact OG1-N 2.92Å; K541-F543 HydrophobicContact CB-CD2 4.13Å; K541-F543 HydrophobicContact CB-CE2 4.03Å; K541-F543 HydrophobicContact CB-CZ 4.35Å; K541-F543 HydrophobicContact CD-CE2 4.32Å; K541-F543 PolarHBondContact O-N 3.01Å; K541-F543 VanDerWaalsContact O-N 3.11Å; F543-H547 HydrophobicContact CB-CB 3.72Å; F543-H547 HydrophobicContact CD1-CB 4.06Å; F543-H547 HydrophobicContact CG-CB 4.04Å; F543-L548 HydrophobicContact CB-CD2 4.21Å; F543-L548 HydrophobicContact CB-CG 4.42Å; F543-L548 HydrophobicContact CD2-CD2 4.17Å; F543-K551 HydrophobicContact CE2-CD 4.19Å; F543-I582 HydrophobicContact CD1-CD1 3.84Å; F543-I582 HydrophobicContact CE1-CD1 3.44Å; F543-I582 VanDerWaalsContact CE1-CD1 3.44Å; F543-I582 HydrophobicContact CZ-CD1 3.96Å
544T92.2Very high90.7Very high9 Ų928.8 Ų28.86%0.05515%0.145CC..  trans-86.3170.8167.767.60000111.3A537 R538 L546 H547 L548A537-T544 WeakPolarHBondContact O-CA 3.46Å; R538-T544 HydrophobicContact CG-CG2 3.86Å; T544-L546 PolarHBondContact O-N 3.24Å; T544-L546 VanDerWaalsContact O-N 3.08Å; T544-H547 PolarHBondContact N-ND1 2.85Å; T544-H547 WeakPolarHBondContact O-CB 3.33Å; T544-H547 PolarHBondContact O-N 2.78Å; T544-H547 PolarHBondContact OG1-ND1 3.45Å; T544-L548 PolarHBondContact O-N 2.83Å; T544-L548 VanDerWaalsContact O-N 3.1Å
545A92.5Very high90.9Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-47.4-37.5173.100000114.2L513 H514 C517 L548 A549 L561L513-A545 HydrophobicContact CD2-CB 4.35Å; L513-A545 HydrophobicContact CG-CB 4.26Å; H514-A545 PolarHBondContact CD2-N 2.78Å; H514-A545 PolarHBondContact NE2-N 2.8Å; C517-A545 HydrophobicContact CB-CB 4.32Å; A545-L548 PolarHBondContact O-N 2.95Å; A545-A549 PolarHBondContact O-N 2.78Å; A545-L561 HydrophobicContact CB-CD1 3.94Å; A545-L561 HydrophobicContact CB-CD2 4.02Å; A545-L561 WeakPolarHBondContact O-CD1 3.49Å
546L93.6Very high91.1Very high4 Ų432.8 Ų32.82%0.02116%0.162CC..Hα-helixtrans-74.8-32.7178.2-175.259.4000112.8T544 L548 A550 A558 L561 I562 S568 P579 L595T544-L546 PolarHBondContact O-N 3.24Å; T544-L546 VanDerWaalsContact O-N 3.08Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-A550 WeakPolarHBondContact O-CB 3.47Å; L546-A550 PolarHBondContact O-N 2.98Å; L546-A558 HydrophobicContact CD1-CB 3.86Å; L546-L561 HydrophobicContact CB-CD1 4.19Å; L546-L561 HydrophobicContact CD1-CB 4.25Å; L546-L561 HydrophobicContact CD1-CD1 4.3Å; L546-I562 HydrophobicContact CD1-CD1 4.18Å; L546-I562 HydrophobicContact CD1-CG1 3.9Å; L546-I562 HydrophobicContact CD2-CD1 4.49Å; L546-I562 HydrophobicContact CD2-CG1 3.81Å; L546-S568 WeakPolarHBondContact CD2-OG 3.49Å; L546-P579 HydrophobicContact CD2-CG 4.29Å; L546-P579 HydrophobicContact CG-CB 4.31Å; L546-P579 HydrophobicContact CG-CG 4.18Å; L546-L595 HydrophobicContact CD1-CD2 4Å; L546-L595 HydrophobicContact CD2-CD2 4.06Å; L546-L595 HydrophobicContact CG-CD2 4.09Å
547H93.1Very high91.4Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-64.4-40.3171.9-68.283.1000110.7F543 T544 A550 K551 A571 G573 P579 I582F543-H547 HydrophobicContact CB-CB 3.72Å; F543-H547 HydrophobicContact CD1-CB 4.06Å; F543-H547 HydrophobicContact CG-CB 4.04Å; T544-H547 PolarHBondContact N-ND1 2.85Å; T544-H547 WeakPolarHBondContact O-CB 3.33Å; T544-H547 PolarHBondContact O-N 2.78Å; T544-H547 PolarHBondContact OG1-ND1 3.45Å; H547-A550 PolarHBondContact O-N 3.2Å; H547-K551 WeakPolarHBondContact O-CB 3.41Å; H547-K551 PolarHBondContact O-N 2.79Å; H547-A571 PolarHBondContact NE2-O 2.9Å; H547-G573 PolarHBondContact NE2-N 2.92Å; H547-G573 VanDerWaalsContact NE2-N 3.19Å; H547-P579 WeakPolarHBondContact NE2-CD 3.36Å; H547-I582 HydrophobicContact CB-CD1 4.2Å
548L93.3Very high91.5Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-66.3-46.4176-61172.8000111.6Y510 H514 T539 F543 T544 A545 L546 A550 K551 R552 H1496Y510-L548 HydrophobicContact CD1-CD1 4.23Å; Y510-L548 HydrophobicContact CE1-CD1 3.63Å; Y510-L548 HydrophobicContact CE1-CD2 4.14Å; Y510-L548 WeakPolarHBondContact OH-CD2 3.49Å; H514-L548 HydrophobicContact CB-CD1 3.7Å; T539-L548 HydrophobicContact CG2-CD1 4.12Å; F543-L548 HydrophobicContact CB-CD2 4.21Å; F543-L548 HydrophobicContact CB-CG 4.42Å; F543-L548 HydrophobicContact CD2-CD2 4.17Å; T544-L548 PolarHBondContact O-N 2.83Å; T544-L548 VanDerWaalsContact O-N 3.1Å; A545-L548 PolarHBondContact O-N 2.95Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L548-A550 VanDerWaalsContact C-N 3.25Å; L548-A550 PolarHBondContact O-N 3.06Å; L548-K551 PolarHBondContact O-N 2.77Å; L548-R552 WeakPolarHBondContact O-CB 3.48Å; L548-R552 PolarHBondContact O-N 3.09Å; L548-H1496 WeakPolarHBondContact CD2-NE2 3.13Å; L548-H1496 PolarHBondContact O-CD2 2.94Å; L548-H1496 VanDerWaalsContact O-CD2 3.26Å; L548-H1496 PolarHBondContact O-NE2 3.49Å
549A94Very high91.7Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-59.8-36.5174.100000112.3A545 G553 H554 V557 A558 L561A545-A549 PolarHBondContact O-N 2.78Å; A549-G553 PolarHBondContact O-N 2.84Å; A549-H554 PolarHBondContact O-N 2.96Å; A549-V557 HydrophobicContact CB-CB 4.35Å; A549-V557 HydrophobicContact CB-CG1 3.84Å; A549-A558 HydrophobicContact CB-CB 4.1Å; A549-L561 HydrophobicContact CB-CD1 4.05Å
550A93.6Very high91.6Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-71.2-36.7175.100000114L546 H547 L548 P579 A583 R588 V591 L595L546-A550 WeakPolarHBondContact O-CB 3.47Å; L546-A550 PolarHBondContact O-N 2.98Å; H547-A550 PolarHBondContact O-N 3.2Å; L548-A550 VanDerWaalsContact C-N 3.25Å; L548-A550 PolarHBondContact O-N 3.06Å; A550-P579 HydrophobicContact CB-CB 4.02Å; A550-A583 HydrophobicContact CB-CB 4.29Å; A550-R588 VanDerWaalsContact O-CG 3.28Å; A550-R588 WeakPolarHBondContact O-CG 3.36Å; A550-V591 HydrophobicContact CB-CG1 4.28Å; A550-L595 HydrophobicContact CB-CD1 3.88Å
551K92.9Very high91.9Very high3 Ų323.9 Ų23.91%0.01312%0.121CC..Hα-helixtrans-71.7-36.6175.3-156.8-164.3-178.1177.90110F543 H547 L548 I582 Y586 R588 E894 V1494 D1495 H1496F543-K551 HydrophobicContact CE2-CD 4.19Å; H547-K551 WeakPolarHBondContact O-CB 3.41Å; H547-K551 PolarHBondContact O-N 2.79Å; L548-K551 PolarHBondContact O-N 2.77Å; K551-I582 HydrophobicContact CB-CG2 3.45Å; K551-I582 VanDerWaalsContact CB-CG2 3.45Å; K551-I582 HydrophobicContact CG-CG2 3.64Å; K551-Y586 HydrophobicContact CD-CE2 4.22Å; K551-Y586 WeakPolarHBondContact CE-OH 3.44Å; K551-Y586 HydrophobicContact CG-CD1 4.46Å; K551-Y586 HydrophobicContact CG-CD2 3.71Å; K551-Y586 HydrophobicContact CG-CE1 4.28Å; K551-Y586 HydrophobicContact CG-CE2 3.52Å; K551-Y586 HydrophobicContact CG-CG 4.2Å; K551-R588 PolarHBondContact O-NE 2.7Å; K551-R588 PolarHBondContact O-NH2 3.16Å; K551-E894 IonicContact NZ-OE2 3.85Å; K551-E894 PolarHBondContact NZ-OE2 2.93Å; K551-V1494 PolarHBondContact NZ-O 3.36Å; K551-D1495 WeakPolarHBondContact CD-O 3.44Å; K551-D1495 WeakPolarHBondContact CE-O 3.36Å; K551-D1495 WeakPolarHBondContact CE-OD1 3.38Å; K551-D1495 VanDerWaalsContact NZ-C 3.3Å; K551-D1495 VanDerWaalsContact NZ-CA 3.29Å; K551-D1495 PolarHBondContact NZ-O 2.74Å; K551-D1495 IonicContact NZ-OD1 2.72Å; K551-H1496 HydrophobicContact CB-CB 4.11Å; K551-H1496 VanDerWaalsContact CB-CD2 3.47Å; K551-H1496 WeakPolarHBondContact CB-CD2 3.46Å; K551-H1496 HydrophobicContact CD-CB 3.93Å; K551-H1496 HydrophobicContact CG-CB 3.8Å
552R92Very high92.3Very high9 Ų923 Ų233%0.03412%0.117CC..Hα-helixtrans-75.7-29.2177.8-80.1-55.6-171.5-160.13114.9K518 L548 H554 D896 D897 H1496 Y1497K518-R552 VanDerWaalsContact CE-NH2 3.31Å; K518-R552 WeakPolarHBondContact O-CD 3.49Å; K518-R552 WeakPolarHBondContact O-CG 3.38Å; K518-R552 PolarHBondContact O-NE 2.84Å; L548-R552 WeakPolarHBondContact O-CB 3.48Å; L548-R552 PolarHBondContact O-N 3.09Å; R552-H554 HydrophobicContact CB-CB 4.43Å; R552-H554 WeakPolarHBondContact CB-CD2 3.41Å; R552-H554 VanDerWaalsContact CG-CD2 3.44Å; R552-H554 WeakPolarHBondContact CG-CD2 3.36Å; R552-D896 IonicContact CZ-OD1 2.61Å; R552-D896 IonicContact CZ-OD2 2.65Å; R552-D896 IonicContact NH1-OD1 3.82Å; R552-D896 IonicContact NH1-OD2 2.73Å; R552-D896 IonicContact NH2-OD1 3.77Å; R552-D896 PolarHBondContact NH2-OD1 3.32Å; R552-D896 IonicContact NH2-OD2 2.7Å; R552-D897 IonicContact CZ-OD1 3.49Å; R552-D897 VanDerWaalsContact CZ-OD1 3.29Å; R552-D897 IonicContact CZ-OD2 2.88Å; R552-D897 IonicContact NH1-OD1 3.88Å; R552-D897 PolarHBondContact NH1-OD1 2.86Å; R552-D897 IonicContact NH1-OD2 2.68Å; R552-D897 PolarHBondContact NH1-OD2 2.92Å; R552-D897 IonicContact NH2-OD1 3.14Å; R552-D897 PolarHBondContact NH2-OD1 3.3Å; R552-D897 IonicContact NH2-OD2 3.72Å; R552-H1496 VanDerWaalsContact CD-CD2 3.49Å; R552-H1496 WeakPolarHBondContact CD-CD2 3.45Å; R552-H1496 VanDerWaalsContact CD-CG 3.41Å; R552-H1496 HydrophobicContact CG-CB 4.4Å; R552-H1496 WeakPolarHBondContact CG-CD2 3.37Å; R552-H1496 VanDerWaalsContact CZ-ND1 3.35Å; R552-H1496 PolarHBondContact N-CD2 2.88Å; R552-H1496 PolarHBondContact NE-ND1 3.46Å; R552-Y1497 HydrophobicContact CG-CD2 4.48Å; R552-Y1497 VanDerWaalsContact CZ-CE2 3.48Å; R552-Y1497 VanDerWaalsContact NH1-CE2 3.3Å
553G90.7Very high92.5Very high21 Ų2128.6 Ų28.622%0.21614%0.139CC..THydrogen-bonded Turntrans85.513.4-168.100000115.1A549 V555A549-G553 PolarHBondContact O-N 2.84Å; G553-V555 VanDerWaalsContact C-N 3.31Å; G553-V555 WeakPolarHBondContact O-CG2 3.4Å; G553-V555 PolarHBondContact O-N 2.73Å
554H94.1Very high92.4Very high48 Ų4830.3 Ų30.322%0.22216%0.156CC..  trans-75.574.2-174.3-72.7-45.8000112.9C517 K518 G520 A549 R552 K556 V557 A558C517-H554 PolarHBondContact O-CD2 3.29Å; K518-H554 PolarHBondContact O-CD2 3.35Å; K518-H554 PolarHBondContact O-NE2 2.85Å; G520-H554 VanDerWaalsContact CA-CD2 3.48Å; G520-H554 WeakPolarHBondContact CA-CD2 3.36Å; G520-H554 WeakPolarHBondContact CA-NE2 3.37Å; G520-H554 PolarHBondContact N-CD2 2.92Å; G520-H554 PolarHBondContact N-NE2 3.33Å; A549-H554 PolarHBondContact O-N 2.96Å; R552-H554 HydrophobicContact CB-CB 4.43Å; R552-H554 WeakPolarHBondContact CB-CD2 3.41Å; R552-H554 VanDerWaalsContact CG-CD2 3.44Å; R552-H554 WeakPolarHBondContact CG-CD2 3.36Å; H554-K556 VanDerWaalsContact C-N 3.3Å; H554-K556 PolarHBondContact O-N 3.06Å; H554-K556 VanDerWaalsContact O-N 3.16Å; H554-V557 HydrophobicContact CB-CB 3.96Å; H554-V557 HydrophobicContact CB-CG2 4.13Å; H554-V557 WeakPolarHBondContact O-CB 3.08Å; H554-V557 PolarHBondContact O-N 3.39Å; H554-V557 VanDerWaalsContact O-N 3.08Å; H554-A558 PolarHBondContact O-N 2.77Å
555V92.9Very high92.1Very high57 Ų5732.1 Ų32.135%0.34516%0.164SC..Hα-helixtrans-49.6-43.8-173.7-164.90000113.4G553 K559 P590 V591 L594G553-V555 VanDerWaalsContact C-N 3.31Å; G553-V555 WeakPolarHBondContact O-CG2 3.4Å; G553-V555 PolarHBondContact O-N 2.73Å; V555-K559 VanDerWaalsContact O-CB 3.28Å; V555-K559 WeakPolarHBondContact O-CB 3.3Å; V555-K559 PolarHBondContact O-N 3.07Å; V555-P590 HydrophobicContact CG2-CB 3.83Å; V555-V591 HydrophobicContact CB-CG2 4.37Å; V555-V591 HydrophobicContact CG2-CG2 3.8Å; V555-L594 HydrophobicContact CG1-CD2 3.82Å; V555-L594 WeakPolarHBondContact O-CD2 3.39Å
556K93.4Very high91.5Very high131 Ų13135 Ų3557%0.5718%0.183SC*.Hα-helixtrans-65-45.5-179.7-65.5-172.5-177.9175.50112.3H522 H554 K559 Q560H522-K556 HydrophobicContact CB-CB 3.94Å; H522-K556 WeakPolarHBondContact CD2-CD 3.33Å; H522-K556 WeakPolarHBondContact NE2-CD 3.28Å; H522-K556 PolarHBondContact NE2-NZ 2.99Å; H522-K556 VanDerWaalsContact NE2-NZ 3.2Å; H554-K556 VanDerWaalsContact C-N 3.3Å; H554-K556 PolarHBondContact O-N 3.06Å; H554-K556 VanDerWaalsContact O-N 3.16Å; K556-K559 PolarHBondContact O-N 3.38Å; K556-Q560 WeakPolarHBondContact O-CG 3.48Å; K556-Q560 PolarHBondContact O-N 2.77Å; K556-Q560 VanDerWaalsContact O-N 3.08Å
557V93.4Very high90.9Very high1 Ų142.4 Ų42.41%0.00622%0.215CC..Hα-helixtrans-63.7-50.2176.81720000109.8C517 G520 H522 L525 A549 H554 K559 Q560 L561C517-V557 HydrophobicContact CB-CG1 3.69Å; G520-V557 VanDerWaalsContact C-CG2 3.44Å; H522-V557 HydrophobicContact CB-CG2 4.09Å; L525-V557 HydrophobicContact CD1-CG1 4.25Å; L525-V557 HydrophobicContact CD1-CG2 4.41Å; L525-V557 HydrophobicContact CD2-CB 4.5Å; L525-V557 HydrophobicContact CD2-CG1 3.87Å; A549-V557 HydrophobicContact CB-CB 4.35Å; A549-V557 HydrophobicContact CB-CG1 3.84Å; H554-V557 HydrophobicContact CB-CB 3.96Å; H554-V557 HydrophobicContact CB-CG2 4.13Å; H554-V557 WeakPolarHBondContact O-CB 3.08Å; H554-V557 PolarHBondContact O-N 3.39Å; H554-V557 VanDerWaalsContact O-N 3.08Å; V557-K559 VanDerWaalsContact C-N 3.27Å; V557-K559 PolarHBondContact O-N 2.99Å; V557-Q560 PolarHBondContact O-N 3.23Å; V557-Q560 VanDerWaalsContact O-N 3.15Å; V557-L561 HydrophobicContact CG1-CD1 3.85Å; V557-L561 HydrophobicContact CG1-CG 4.26Å; V557-L561 WeakPolarHBondContact O-CG 3.46Å; V557-L561 PolarHBondContact O-N 3.18Å
558A93.1Very high90.4Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-54.2-45.517600000110.9L546 A549 H554 Q560 L561 I562 V591 L594L546-A558 HydrophobicContact CD1-CB 3.86Å; A549-A558 HydrophobicContact CB-CB 4.1Å; H554-A558 PolarHBondContact O-N 2.77Å; A558-Q560 PolarHBondContact O-N 3.31Å; A558-L561 PolarHBondContact O-N 3.06Å; A558-I562 WeakPolarHBondContact O-CB 3.37Å; A558-I562 WeakPolarHBondContact O-CD1 3.5Å; A558-I562 WeakPolarHBondContact O-CG1 3.39Å; A558-I562 PolarHBondContact O-N 3.34Å; A558-V591 HydrophobicContact CB-CG1 4.19Å; A558-L594 HydrophobicContact CB-CD2 3.84Å
559K92.9Very high90.2Very high107 Ų10743.1 Ų43.147%0.46522%0.22SC..Hα-helixtrans-61.2-42.1179-171.7166.2-176.1166.30112.5V555 K556 V557 Q563 L594V555-K559 VanDerWaalsContact O-CB 3.28Å; V555-K559 WeakPolarHBondContact O-CB 3.3Å; V555-K559 PolarHBondContact O-N 3.07Å; K556-K559 PolarHBondContact O-N 3.38Å; V557-K559 VanDerWaalsContact C-N 3.27Å; V557-K559 PolarHBondContact O-N 2.99Å; K559-Q563 WeakPolarHBondContact O-CB 3.46Å; K559-Q563 WeakPolarHBondContact O-CG 3.34Å; K559-Q563 PolarHBondContact O-N 2.84Å; K559-L594 HydrophobicContact CB-CD1 4.27Å; K559-L594 HydrophobicContact CB-CD2 3.84Å; K559-L594 HydrophobicContact CD-CD1 4.42Å; K559-L594 HydrophobicContact CG-CD1 4.24Å
560Q91.2Very high89.9Confident59 Ų5943.1 Ų43.128%0.27622%0.22SC..Hα-helixtrans-67.9-42.6175.6-72.7171.8-42.500112.7H522 L525 K556 V557 A558 I562 Q563 A564H522-Q560 PolarHBondContact O-NE2 3.15Å; H522-Q560 PolarHBondContact O-OE1 3.38Å; H522-Q560 VanDerWaalsContact O-OE1 3.06Å; L525-Q560 HydrophobicContact CD2-CB 3.98Å; K556-Q560 WeakPolarHBondContact O-CG 3.48Å; K556-Q560 PolarHBondContact O-N 2.77Å; K556-Q560 VanDerWaalsContact O-N 3.08Å; V557-Q560 PolarHBondContact O-N 3.23Å; V557-Q560 VanDerWaalsContact O-N 3.15Å; A558-Q560 PolarHBondContact O-N 3.31Å; Q560-I562 VanDerWaalsContact C-N 3.33Å; Q560-I562 PolarHBondContact O-N 3.16Å; Q560-Q563 PolarHBondContact O-N 2.73Å; Q560-A564 WeakPolarHBondContact O-CB 3.26Å; Q560-A564 PolarHBondContact O-N 2.89Å
561L92Very high89.6Confident2 Ų244 Ų441%0.0123%0.227CC..Hα-helixtrans-61.9-41.7176.7-68.7172.9000111.7L525 L535 A545 L546 A549 V557 A558 A564 Q565L525-L561 HydrophobicContact CD2-CD2 3.9Å; L525-L561 HydrophobicContact CD2-CG 3.93Å; L535-L561 HydrophobicContact CD2-CD2 3.53Å; A545-L561 HydrophobicContact CB-CD1 3.94Å; A545-L561 HydrophobicContact CB-CD2 4.02Å; A545-L561 WeakPolarHBondContact O-CD1 3.49Å; L546-L561 HydrophobicContact CB-CD1 4.19Å; L546-L561 HydrophobicContact CD1-CB 4.25Å; L546-L561 HydrophobicContact CD1-CD1 4.3Å; A549-L561 HydrophobicContact CB-CD1 4.05Å; V557-L561 HydrophobicContact CG1-CD1 3.85Å; V557-L561 HydrophobicContact CG1-CG 4.26Å; V557-L561 WeakPolarHBondContact O-CG 3.46Å; V557-L561 PolarHBondContact O-N 3.18Å; A558-L561 PolarHBondContact O-N 3.06Å; L561-A564 PolarHBondContact O-N 2.99Å; L561-Q565 PolarHBondContact O-N 2.8Å
562I91Very high89.4Confident2 Ų245.1 Ų45.11%0.0123%0.233CC..Hα-helixtrans-67.5-40.9175.6-61.8166.1000110.3L546 A558 Q560 A564 Q565 P566 V569 L594 L595 N598L546-I562 HydrophobicContact CD1-CD1 4.18Å; L546-I562 HydrophobicContact CD1-CG1 3.9Å; L546-I562 HydrophobicContact CD2-CD1 4.49Å; L546-I562 HydrophobicContact CD2-CG1 3.81Å; A558-I562 WeakPolarHBondContact O-CB 3.37Å; A558-I562 WeakPolarHBondContact O-CD1 3.5Å; A558-I562 WeakPolarHBondContact O-CG1 3.39Å; A558-I562 PolarHBondContact O-N 3.34Å; Q560-I562 VanDerWaalsContact C-N 3.33Å; Q560-I562 PolarHBondContact O-N 3.16Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 3.48Å; I562-Q565 CarbonylContact O-C 3.53Å; I562-Q565 PolarHBondContact O-N 3.19Å; I562-P566 WeakPolarHBondContact O-CA 3.3Å; I562-P566 WeakPolarHBondContact O-CD 3.23Å; I562-P566 VanDerWaalsContact O-CG 3.26Å; I562-P566 WeakPolarHBondContact O-CG 3.23Å; I562-V569 HydrophobicContact CB-CG2 4.48Å; I562-V569 HydrophobicContact CD1-CG1 4.37Å; I562-V569 HydrophobicContact CD1-CG2 4.34Å; I562-V569 HydrophobicContact CG1-CG2 4Å; I562-V569 HydrophobicContact CG2-CG2 3.76Å; I562-L594 HydrophobicContact CD1-CD2 4.35Å; I562-L594 HydrophobicContact CD1-CG 4.03Å; I562-L595 HydrophobicContact CD1-CD2 4.09Å; I562-N598 HydrophobicContact CG2-CB 4.27Å; I562-N598 WeakPolarHBondContact CG2-OD1 3.45Å
563Q89.8Confident88.9Confident132 Ų13245.3 Ų45.362%0.61724%0.237SC*.Hα-helixtrans-64.2-36.4174.2-76.5172.7-22.300112.9K559 Q560K559-Q563 WeakPolarHBondContact O-CB 3.46Å; K559-Q563 WeakPolarHBondContact O-CG 3.34Å; K559-Q563 PolarHBondContact O-N 2.84Å; Q560-Q563 PolarHBondContact O-N 2.73Å
564A88.1Confident88.3Confident51 Ų5148 Ų4842%0.42125%0.245SC..Hα-helixtrans-72.7-39176.800000112.5L529 L535 Q560 L561 I562L529-A564 HydrophobicContact CD1-CB 4.15Å; L535-A564 HydrophobicContact CD1-CB 3.98Å; L535-A564 HydrophobicContact CD2-CB 4.19Å; Q560-A564 WeakPolarHBondContact O-CB 3.26Å; Q560-A564 PolarHBondContact O-N 2.89Å; L561-A564 PolarHBondContact O-N 2.99Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 3.48Å
565Q85.6Confident87.6Confident48 Ų4849.5 Ų49.522%0.22425%0.254CS..  trans-140.683.4176.7-170.6173-42.800112.1L535 N536 L561 I562 K567 S568L535-Q565 HydrophobicContact CD1-CB 4.19Å; N536-Q565 PolarHBondContact ND2-OE1 3.07Å; N536-Q565 VanDerWaalsContact ND2-OE1 3.07Å; N536-Q565 PolarHBondContact OD1-NE2 2.92Å; N536-Q565 PolarHBondContact OD1-OE1 3.17Å; L561-Q565 PolarHBondContact O-N 2.8Å; I562-Q565 CarbonylContact O-C 3.53Å; I562-Q565 PolarHBondContact O-N 3.19Å; Q565-K567 PolarHBondContact O-N 2.98Å; Q565-S568 VanDerWaalsContact O-CB 3.31Å; Q565-S568 WeakPolarHBondContact O-CB 3.41Å; Q565-S568 PolarHBondContact O-N 2.94Å; Q565-S568 PolarHBondContact O-OG 2.65Å
566P81.7Confident87.3Confident59 Ų5950.6 Ų50.638%0.38326%0.258SS..G310 helixtrans-59.2-19.7-176.3-29.936.1000115.8I562 S568 S1620I562-P566 WeakPolarHBondContact O-CA 3.3Å; I562-P566 WeakPolarHBondContact O-CD 3.23Å; I562-P566 VanDerWaalsContact O-CG 3.26Å; I562-P566 WeakPolarHBondContact O-CG 3.23Å; P566-S568 PolarHBondContact O-N 3.29Å; P566-S1620 VanDerWaalsContact O-O 3.11Å; P566-S1620 PolarHBondContact O-OG 2.86Å
567K80.8Confident87.1Confident161 Ų16145.3 Ų45.370%0.724%0.236SC*.G310 helixtrans-73.3-15.5176.1-61.5-179.8-178.5177.50113Q565 V569 H1621Q565-K567 PolarHBondContact O-N 2.98Å; K567-V569 PolarHBondContact O-N 2.81Å; K567-H1621 CarbonylContact O-C 3.59Å; K567-H1621 PolarHBondContact O-N 2.91Å
568S82.4Confident87.1Confident14 Ų1445.4 Ų45.410%0.09824%0.237CC..G310 helixtrans-78.1-8.7-170.764.90000115.6L546 Q565 P566 N570 A571L546-S568 WeakPolarHBondContact CD2-OG 3.49Å; Q565-S568 VanDerWaalsContact O-CB 3.31Å; Q565-S568 WeakPolarHBondContact O-CB 3.41Å; Q565-S568 PolarHBondContact O-N 2.94Å; Q565-S568 PolarHBondContact O-OG 2.65Å; P566-S568 PolarHBondContact O-N 3.29Å; S568-N570 PolarHBondContact O-N 3.35Å; S568-A571 WeakPolarHBondContact O-CB 3.04Å; S568-A571 PolarHBondContact O-N 2.95Å
569V88.2Confident87Confident0 Ų045.4 Ų45.40%024%0.237CC..G310 helixtrans-67.3-31-169.9-153.70000113.7I562 K567 P579 L595 N598 S1620I562-V569 HydrophobicContact CB-CG2 4.48Å; I562-V569 HydrophobicContact CD1-CG1 4.37Å; I562-V569 HydrophobicContact CD1-CG2 4.34Å; I562-V569 HydrophobicContact CG1-CG2 4Å; I562-V569 HydrophobicContact CG2-CG2 3.76Å; K567-V569 PolarHBondContact O-N 2.81Å; V569-P579 VanDerWaalsContact O-CD 3.31Å; V569-P579 WeakPolarHBondContact O-CD 3.43Å; V569-P579 WeakPolarHBondContact O-CG 3.49Å; V569-L595 VanDerWaalsContact CG1-CA 3.44Å; V569-L595 HydrophobicContact CG1-CB 3.72Å; V569-L595 HydrophobicContact CG1-CD2 3.4Å; V569-L595 VanDerWaalsContact CG1-CD2 3.4Å; V569-L595 HydrophobicContact CG1-CG 4.15Å; V569-L595 WeakPolarHBondContact CG1-O 3.48Å; V569-N598 HydrophobicContact CG2-CB 4.29Å; V569-S1620 WeakPolarHBondContact CA-O 3.24Å; V569-S1620 WeakPolarHBondContact CB-O 3.32Å; V569-S1620 WeakPolarHBondContact CG2-O 3.28Å; V569-S1620 PolarHBondContact N-O 3.45Å
570N89.3Confident87.1Confident1 Ų140.3 Ų40.31%0.00521%0.214CC..G310 helixtrans-111.143.8162.2-43.2-41.3000111.7S568 T578 A600 S1620 H1621 S1622S568-N570 PolarHBondContact O-N 3.35Å; N570-T578 HydrophobicContact CB-CG2 4.22Å; N570-A600 VanDerWaalsContact ND2-CA 3.32Å; N570-A600 WeakPolarHBondContact ND2-CA 3.49Å; N570-A600 WeakPolarHBondContact ND2-CB 3.25Å; N570-A600 VanDerWaalsContact OD1-CB 3.25Å; N570-A600 WeakPolarHBondContact OD1-CB 3.26Å; N570-S1620 PolarHBondContact N-O 2.95Å; N570-H1621 PolarHBondContact ND2-CE1 3.43Å; N570-H1621 PolarHBondContact ND2-ND1 3.15Å; N570-H1621 VanDerWaalsContact ND2-ND1 3.17Å; N570-H1621 PolarHBondContact ND2-NE2 3.07Å; N570-S1622 WeakPolarHBondContact O-CA 3.33Å; N570-S1622 VanDerWaalsContact O-CB 3.24Å; N570-S1622 WeakPolarHBondContact O-CB 3.45Å
571A86.9Confident87.2Confident19 Ų1937.6 Ų37.616%0.15720%0.201CC..  trans-53150.1154.700000108.9H547 S568 T578 P579H547-A571 PolarHBondContact NE2-O 2.9Å; S568-A571 WeakPolarHBondContact O-CB 3.04Å; S568-A571 PolarHBondContact O-N 2.95Å; A571-T578 WeakPolarHBondContact O-CA 3.21Å; A571-P579 WeakPolarHBondContact O-CD 3.41Å
572I87Confident87.2Confident26 Ų2637.8 Ų37.813%0.13320%0.203CC..  trans-105.1136.1175.256.8-178.8000109.5R538 L577 T578 D1624R538-I572 PolarHBondContact NH2-O 3.45Å; I572-L577 CarbonylContact C-O 3.35Å; I572-L577 WeakPolarHBondContact CA-O 3.42Å; I572-T578 HydrophobicContact CG2-CG2 4.33Å; I572-D1624 WeakPolarHBondContact CD1-OD1 3.38Å
573G82.3Confident87.4Confident12 Ų1237.7 Ų37.712%0.12420%0.202CC..  trans-91.9-149.6168.200000110.9H547 L577H547-G573 PolarHBondContact NE2-N 2.92Å; H547-G573 VanDerWaalsContact NE2-N 3.19Å; G573-L577 PolarHBondContact N-O 3.08Å
574Q77.9Confident87.6Confident79 Ų7931.4 Ų31.437%0.36917%0.173SC..G310 helixtrans-71.7155.4167.2-167.3162.1-14.400110.7K541 D576 L577 L836K541-Q574 WeakPolarHBondContact O-CB 3.43Å; Q574-D576 PolarHBondContact O-N 3.19Å; Q574-D576 VanDerWaalsContact O-N 3.14Å; Q574-L577 WeakPolarHBondContact O-CB 2.89Å; Q574-L577 WeakPolarHBondContact O-CG 3.18Å; Q574-L577 PolarHBondContact O-N 2.9Å; Q574-L836 HydrophobicContact CG-CD2 4.27Å
575N79.2Confident87.8Confident78 Ų7830.4 Ų30.442%0.41716%0.159SC..G310 helixtrans5231.8-178.5-64.6-0.2000115.1L577 G607N575-L577 PolarHBondContact O-N 3.06Å; N575-L577 VanDerWaalsContact O-N 3.1Å; N575-G607 PolarHBondContact O-N 2.94Å
576D86.3Confident88.1Confident81 Ų8130.4 Ų30.443%0.43316%0.157SC..G310 helixtrans56.220-178.3-52.8-41.5000114.6Q574Q574-D576 PolarHBondContact O-N 3.19Å; Q574-D576 VanDerWaalsContact O-N 3.14Å
577L90.4Very high88.6Confident20 Ų2031 Ų3111%0.10516%0.158CC..  trans-64.5143.6173.2-63.6174.1000110.3I572 G573 Q574 N575 H581 I582 A606 M615 L836I572-L577 CarbonylContact C-O 3.35Å; I572-L577 WeakPolarHBondContact CA-O 3.42Å; G573-L577 PolarHBondContact N-O 3.08Å; Q574-L577 WeakPolarHBondContact O-CB 2.89Å; Q574-L577 WeakPolarHBondContact O-CG 3.18Å; Q574-L577 PolarHBondContact O-N 2.9Å; N575-L577 PolarHBondContact O-N 3.06Å; N575-L577 VanDerWaalsContact O-N 3.1Å; L577-H581 HydrophobicContact CD2-CB 4.15Å; L577-I582 HydrophobicContact CB-CG1 4.47Å; L577-A606 HydrophobicContact CD2-CB 3.92Å; L577-M615 HydrophobicContact CD2-CE 3.75Å; L577-L836 HydrophobicContact CD1-CD1 4.31Å
578T92.4Very high89.2Confident3 Ų324.3 Ų24.32%0.01813%0.128CC..  trans-113.2164.2174.460.10000109.7N570 A571 I572 L580 H581 I582N570-T578 HydrophobicContact CB-CG2 4.22Å; A571-T578 WeakPolarHBondContact O-CA 3.21Å; I572-T578 HydrophobicContact CG2-CG2 4.33Å; T578-L580 PolarHBondContact O-N 2.95Å; T578-L580 VanDerWaalsContact O-N 3.15Å; T578-L580 PolarHBondContact OG1-N 2.88Å; T578-H581 PolarHBondContact N-ND1 3.14Å; T578-H581 PolarHBondContact O-N 2.72Å; T578-H581 VanDerWaalsContact O-N 3.08Å; T578-H581 PolarHBondContact OG1-N 2.88Å; T578-H581 VanDerWaalsContact OG1-N 3.17Å; T578-H581 PolarHBondContact OG1-ND1 3.46Å; T578-I582 PolarHBondContact O-N 2.99Å
579P92.7Very high89.7Confident0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-50.4-35.9168.2-29.736.6000112.6L546 H547 A550 V569 A571 I582 A583 L595L546-P579 HydrophobicContact CD2-CG 4.29Å; L546-P579 HydrophobicContact CG-CB 4.31Å; L546-P579 HydrophobicContact CG-CG 4.18Å; H547-P579 WeakPolarHBondContact NE2-CD 3.36Å; A550-P579 HydrophobicContact CB-CB 4.02Å; V569-P579 VanDerWaalsContact O-CD 3.31Å; V569-P579 WeakPolarHBondContact O-CD 3.43Å; V569-P579 WeakPolarHBondContact O-CG 3.49Å; A571-P579 WeakPolarHBondContact O-CD 3.41Å; P579-I582 PolarHBondContact O-N 2.85Å; P579-A583 VanDerWaalsContact O-CB 3.29Å; P579-A583 WeakPolarHBondContact O-CB 3.31Å; P579-A583 PolarHBondContact O-N 3.16Å; P579-L595 VanDerWaalsContact C-CD1 3.43Å; P579-L595 HydrophobicContact CB-CD1 3.8Å; P579-L595 HydrophobicContact CB-CD2 3.68Å; P579-L595 HydrophobicContact CB-CG 4.39Å; P579-L595 VanDerWaalsContact O-CD1 3.23Å; P579-L595 WeakPolarHBondContact O-CD1 3.45Å
580L94.4Very high90Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-67.3-44.4176.8-177.762.2000112.7T578 I582 T584 V592 L596 L628T578-L580 PolarHBondContact O-N 2.95Å; T578-L580 VanDerWaalsContact O-N 3.15Å; T578-L580 PolarHBondContact OG1-N 2.88Å; L580-I582 VanDerWaalsContact C-N 3.28Å; L580-I582 PolarHBondContact O-N 2.87Å; L580-T584 WeakPolarHBondContact O-CB 3.49Å; L580-T584 PolarHBondContact O-N 2.58Å; L580-T584 PolarHBondContact O-OG1 2.72Å; L580-V592 HydrophobicContact CD1-CG1 4.01Å; L580-L596 HydrophobicContact CD1-CD1 4.01Å; L580-L596 HydrophobicContact CD1-CD2 4.01Å; L580-L596 HydrophobicContact CD1-CG 3.76Å; L580-L596 HydrophobicContact CD2-CD2 3.66Å; L580-L596 HydrophobicContact CD2-CG 4.37Å; L580-L628 HydrophobicContact CD1-CD2 4.3Å; L580-L628 HydrophobicContact CD2-CD2 4.34Å
581H93.2Very high90.2Very high1 Ų129.8 Ų29.81%0.00516%0.16CC..Hα-helixtrans-57.6-44.6173.1-76.6118.9000111.2L577 T578 T584 H585 C604 Y610 S612 M615L577-H581 HydrophobicContact CD2-CB 4.15Å; T578-H581 PolarHBondContact N-ND1 3.14Å; T578-H581 PolarHBondContact O-N 2.72Å; T578-H581 VanDerWaalsContact O-N 3.08Å; T578-H581 PolarHBondContact OG1-N 2.88Å; T578-H581 VanDerWaalsContact OG1-N 3.17Å; T578-H581 PolarHBondContact OG1-ND1 3.46Å; H581-T584 PolarHBondContact O-N 3.17Å; H581-H585 PolarHBondContact O-N 2.81Å; H581-C604 PolarHBondContact CE1-O 3.44Å; H581-C604 VanDerWaalsContact CE1-O 3.25Å; H581-C604 PolarHBondContact NE2-O 2.89Å; H581-Y610 PolarHBondContact NE2-O 2.98Å; H581-S612 PolarHBondContact CD2-N 3.5Å; H581-S612 PolarHBondContact CD2-OG 3.25Å; H581-S612 PolarHBondContact NE2-N 2.9Å; H581-S612 VanDerWaalsContact NE2-N 3.18Å; H581-S612 PolarHBondContact NE2-OG 3.18Å; H581-M615 HydrophobicContact CB-CE 4.12Å; H581-M615 HydrophobicContact CB-SD 3.84Å
582I92.7Very high90.6Very high7 Ų728.9 Ų28.94%0.03615%0.153CC..Hα-helixtrans-68.2-49.7-179.6-66.3-173.7000111.5F543 H547 K551 L577 T578 P579 L580 T584 H585 Y586F543-I582 HydrophobicContact CD1-CD1 3.84Å; F543-I582 HydrophobicContact CE1-CD1 3.44Å; F543-I582 VanDerWaalsContact CE1-CD1 3.44Å; F543-I582 HydrophobicContact CZ-CD1 3.96Å; H547-I582 HydrophobicContact CB-CD1 4.2Å; K551-I582 HydrophobicContact CB-CG2 3.45Å; K551-I582 VanDerWaalsContact CB-CG2 3.45Å; K551-I582 HydrophobicContact CG-CG2 3.64Å; L577-I582 HydrophobicContact CB-CG1 4.47Å; T578-I582 PolarHBondContact O-N 2.99Å; P579-I582 PolarHBondContact O-N 2.85Å; L580-I582 VanDerWaalsContact C-N 3.28Å; L580-I582 PolarHBondContact O-N 2.87Å; I582-T584 PolarHBondContact O-N 3.47Å; I582-H585 PolarHBondContact O-N 2.65Å; I582-Y586 HydrophobicContact CG2-CD2 3.92Å; I582-Y586 HydrophobicContact CG2-CE2 4.23Å; I582-Y586 WeakPolarHBondContact O-CD2 3.43Å; I582-Y586 PolarHBondContact O-N 2.69Å
583A94.2Very high90.9Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-60.1-31.3175.900000112.1A550 P579 N587 R588 V591 V592 L595A550-A583 HydrophobicContact CB-CB 4.29Å; P579-A583 VanDerWaalsContact O-CB 3.29Å; P579-A583 WeakPolarHBondContact O-CB 3.31Å; P579-A583 PolarHBondContact O-N 3.16Å; A583-N587 PolarHBondContact O-N 3.17Å; A583-R588 HydrophobicContact CB-CB 4.16Å; A583-R588 PolarHBondContact O-N 2.87Å; A583-V591 HydrophobicContact CB-CG1 4.47Å; A583-V592 VanDerWaalsContact C-CG2 3.4Å; A583-V592 HydrophobicContact CB-CG2 3.56Å; A583-V592 WeakPolarHBondContact O-CG2 3.4Å; A583-L595 HydrophobicContact CB-CD1 3.52Å
584T93.8Very high91.4Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-71.7-36.5173.3-59.20000112.7L580 H581 I582 S612 M615 A616 H621 I624 L628L580-T584 WeakPolarHBondContact O-CB 3.49Å; L580-T584 PolarHBondContact O-N 2.58Å; L580-T584 PolarHBondContact O-OG1 2.72Å; H581-T584 PolarHBondContact O-N 3.17Å; I582-T584 PolarHBondContact O-N 3.47Å; T584-S612 VanDerWaalsContact CG2-O 3.29Å; T584-S612 WeakPolarHBondContact CG2-O 3.43Å; T584-M615 HydrophobicContact CG2-CB 4.17Å; T584-A616 HydrophobicContact CG2-CB 3.78Å; T584-H621 PolarHBondContact O-CE1 2.75Å; T584-H621 PolarHBondContact O-ND1 2.85Å; T584-I624 HydrophobicContact CG2-CG2 3.71Å; T584-L628 HydrophobicContact CG2-CD1 4.3Å
585H91.8Very high92.2Very high29 Ų2927 Ų2713%0.13414%0.141CC..Hα-helixtrans-72.3-38.6177-169.3-61.9000112.5H581 I582 N587 Q619 H621 F833 E892H581-H585 PolarHBondContact O-N 2.81Å; I582-H585 PolarHBondContact O-N 2.65Å; H585-N587 VanDerWaalsContact C-N 3.31Å; H585-N587 PolarHBondContact O-N 3.22Å; H585-Q619 PolarHBondContact CE1-NE2 2.98Å; H585-Q619 VanDerWaalsContact CE1-NE2 3.29Å; H585-Q619 PolarHBondContact NE2-NE2 2.61Å; H585-H621 PolarHBondContact O-CE1 2.9Å; H585-F833 AromaticContact CD2-CZ 3.82Å; H585-E892 IonicContact CE1-OE1 2.68Å
586Y91.7Very high92.8Very high48 Ų4823.3 Ų23.319%0.18812%0.121CC..THydrogen-bonded Turntrans-95.728.9-179.3-67.9-92.1000112.7K551 I582 R588 D1495 H1496K551-Y586 HydrophobicContact CD-CE2 4.22Å; K551-Y586 WeakPolarHBondContact CE-OH 3.44Å; K551-Y586 HydrophobicContact CG-CD1 4.46Å; K551-Y586 HydrophobicContact CG-CD2 3.71Å; K551-Y586 HydrophobicContact CG-CE1 4.28Å; K551-Y586 HydrophobicContact CG-CE2 3.52Å; K551-Y586 HydrophobicContact CG-CG 4.2Å; I582-Y586 HydrophobicContact CG2-CD2 3.92Å; I582-Y586 HydrophobicContact CG2-CE2 4.23Å; I582-Y586 WeakPolarHBondContact O-CD2 3.43Å; I582-Y586 PolarHBondContact O-N 2.69Å; Y586-R588 WeakPolarHBondContact O-CD 3.37Å; Y586-R588 VanDerWaalsContact O-CG 3.28Å; Y586-R588 WeakPolarHBondContact O-CG 3.28Å; Y586-R588 PolarHBondContact O-N 3.34Å; Y586-R588 PolarHBondContact O-NE 2.92Å; Y586-R588 PolarHBondContact O-NH1 3.4Å; Y586-R588 VanDerWaalsContact O-NH1 3.15Å; Y586-D1495 VanDerWaalsContact CE1-OD1 3.23Å; Y586-D1495 WeakPolarHBondContact CE1-OD1 3.47Å; Y586-D1495 VanDerWaalsContact CZ-OD1 3.29Å; Y586-D1495 PolarHBondContact OH-OD1 3.03Å; Y586-H1496 WeakPolarHBondContact CD1-O 3.4Å
587N92.7Very high93Very high72 Ų7222 Ų2239%0.38511%0.114SC..THydrogen-bonded Turntrans43.733.7178.1-156.712.9000116.6A583 H585 L589 I624A583-N587 PolarHBondContact O-N 3.17Å; H585-N587 VanDerWaalsContact C-N 3.31Å; H585-N587 PolarHBondContact O-N 3.22Å; N587-L589 PolarHBondContact O-N 2.92Å; N587-I624 VanDerWaalsContact OD1-CD1 3.26Å; N587-I624 WeakPolarHBondContact OD1-CD1 3.18Å
588R94.2Very high93.1Very high20 Ų2024 Ų248%0.07513%0.125CC..  trans-82.459.1-173.1-56.4-52.8-176.8-137.3-11.4112.1A550 K551 A583 Y586 P590 V591 V592 H1496 Y1497 D1498A550-R588 VanDerWaalsContact O-CG 3.28Å; A550-R588 WeakPolarHBondContact O-CG 3.36Å; K551-R588 PolarHBondContact O-NE 2.7Å; K551-R588 PolarHBondContact O-NH2 3.16Å; A583-R588 HydrophobicContact CB-CB 4.16Å; A583-R588 PolarHBondContact O-N 2.87Å; Y586-R588 WeakPolarHBondContact O-CD 3.37Å; Y586-R588 VanDerWaalsContact O-CG 3.28Å; Y586-R588 WeakPolarHBondContact O-CG 3.28Å; Y586-R588 PolarHBondContact O-N 3.34Å; Y586-R588 PolarHBondContact O-NE 2.92Å; Y586-R588 PolarHBondContact O-NH1 3.4Å; Y586-R588 VanDerWaalsContact O-NH1 3.15Å; R588-P590 VanDerWaalsContact C-CD 3.44Å; R588-P590 VanDerWaalsContact C-N 3.31Å; R588-V591 HydrophobicContact CB-CB 3.99Å; R588-V591 HydrophobicContact CB-CG2 4.34Å; R588-V591 CarbonylContact O-C 3.57Å; R588-V591 WeakPolarHBondContact O-CA 3.44Å; R588-V591 PolarHBondContact O-N 3.16Å; R588-V592 PolarHBondContact O-N 2.64Å; R588-H1496 PolarHBondContact NH2-O 3.43Å; R588-Y1497 PolarHBondContact NH1-O 3.15Å; R588-Y1497 PolarHBondContact NH2-O 3.01Å; R588-D1498 IonicContact CZ-OD1 3.68Å; R588-D1498 IonicContact NH1-OD1 3.89Å; R588-D1498 PolarHBondContact NH1-OD1 3.08Å
589L92Very high92.9Very high51 Ų5129.6 Ų29.627%0.26715%0.154SC..Hα-helixtrans-43.9-44.4-173.7-178.467.7000114.3N587 V591 V592 Q593 D623 I624 L627N587-L589 PolarHBondContact O-N 2.92Å; L589-V591 PolarHBondContact O-N 3.37Å; L589-V592 PolarHBondContact O-N 2.89Å; L589-Q593 WeakPolarHBondContact O-CB 3.49Å; L589-Q593 PolarHBondContact O-N 3.3Å; L589-D623 HydrophobicContact CD1-CB 4.04Å; L589-D623 HydrophobicContact CD2-CB 3.91Å; L589-I624 HydrophobicContact CB-CG1 4.35Å; L589-I624 HydrophobicContact CD1-CG1 3.75Å; L589-L627 HydrophobicContact CD1-CD1 3.86Å
590P94.8Very high92.8Very high78 Ų7830.2 Ų30.251%0.50616%0.159SC..Hα-helixtrans-67.7-29.3176.4-20.834.7000114.7V555 R588 L594V555-P590 HydrophobicContact CG2-CB 3.83Å; R588-P590 VanDerWaalsContact C-CD 3.44Å; R588-P590 VanDerWaalsContact C-N 3.31Å; P590-L594 WeakPolarHBondContact O-CB 3.42Å; P590-L594 PolarHBondContact O-N 3.08Å; P590-L594 VanDerWaalsContact O-N 3.15Å
591V93.9Very high92.5Very high1 Ų133.9 Ų33.91%0.00618%0.177CC..Hα-helixtrans-85.3-31.3173.7-170.90000111.4A550 V555 A558 A583 R588 L589 Q593 L594 L595A550-V591 HydrophobicContact CB-CG1 4.28Å; V555-V591 HydrophobicContact CB-CG2 4.37Å; V555-V591 HydrophobicContact CG2-CG2 3.8Å; A558-V591 HydrophobicContact CB-CG1 4.19Å; A583-V591 HydrophobicContact CB-CG1 4.47Å; R588-V591 HydrophobicContact CB-CB 3.99Å; R588-V591 HydrophobicContact CB-CG2 4.34Å; R588-V591 CarbonylContact O-C 3.57Å; R588-V591 WeakPolarHBondContact O-CA 3.44Å; R588-V591 PolarHBondContact O-N 3.16Å; L589-V591 PolarHBondContact O-N 3.37Å; V591-Q593 VanDerWaalsContact C-N 3.35Å; V591-L594 PolarHBondContact O-N 3.45Å; V591-L595 HydrophobicContact CG1-CD1 3.75Å; V591-L595 HydrophobicContact CG1-CD2 4.48Å; V591-L595 HydrophobicContact CG1-CG 3.76Å; V591-L595 WeakPolarHBondContact O-CB 3.3Å; V591-L595 WeakPolarHBondContact O-CD1 3.48Å; V591-L595 WeakPolarHBondContact O-CG 3.32Å; V591-L595 PolarHBondContact O-N 2.89Å
592V94.2Very high92.2Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-59.2-48.2167.6169.50000109.9L580 A583 R588 L589 L595 L596 I624 L627L580-V592 HydrophobicContact CD1-CG1 4.01Å; A583-V592 VanDerWaalsContact C-CG2 3.4Å; A583-V592 HydrophobicContact CB-CG2 3.56Å; A583-V592 WeakPolarHBondContact O-CG2 3.4Å; R588-V592 PolarHBondContact O-N 2.64Å; L589-V592 PolarHBondContact O-N 2.89Å; V592-L595 PolarHBondContact O-N 3.48Å; V592-L596 HydrophobicContact CG1-CD1 3.69Å; V592-L596 VanDerWaalsContact O-CB 3.23Å; V592-L596 WeakPolarHBondContact O-CB 3.45Å; V592-L596 WeakPolarHBondContact O-CD1 3.47Å; V592-L596 WeakPolarHBondContact O-CG 3.03Å; V592-L596 PolarHBondContact O-N 2.83Å; V592-I624 HydrophobicContact CG1-CG1 4.4Å; V592-I624 HydrophobicContact CG1-CG2 3.99Å; V592-I624 HydrophobicContact CG2-CD1 3.95Å; V592-I624 HydrophobicContact CG2-CG1 4.28Å; V592-I624 HydrophobicContact CG2-CG2 4.44Å; V592-L627 HydrophobicContact CG1-CD2 4.08Å
593Q93.2Very high91.8Very high58 Ų5836.7 Ų36.727%0.27119%0.192SC..Hα-helixtrans-55.6-52.2172.8-178.2172.1-23.900111.2L589 V591 L595 L596 D597 N1615 R1616L589-Q593 WeakPolarHBondContact O-CB 3.49Å; L589-Q593 PolarHBondContact O-N 3.3Å; V591-Q593 VanDerWaalsContact C-N 3.35Å; Q593-L595 PolarHBondContact O-N 3.38Å; Q593-L596 CarbonylContact O-C 3.58Å; Q593-L596 VanDerWaalsContact O-C 3.24Å; Q593-L596 VanDerWaalsContact O-CA 3.26Å; Q593-L596 WeakPolarHBondContact O-CA 3.29Å; Q593-L596 WeakPolarHBondContact O-CB 3.47Å; Q593-L596 PolarHBondContact O-N 3.25Å; Q593-D597 VanDerWaalsContact C-OD2 3.32Å; Q593-D597 PolarHBondContact O-N 2.9Å; Q593-D597 VanDerWaalsContact O-N 3.13Å; Q593-N1615 VanDerWaalsContact NE2-C 3.28Å; Q593-N1615 PolarHBondContact NE2-O 3.34Å; Q593-R1616 VanDerWaalsContact NE2-N 3.11Å; Q593-R1616 PolarHBondContact NE2-O 3.12Å
594L94.1Very high91.5Very high20 Ų2037.9 Ų37.911%0.10520%0.2CC..Hα-helixtrans-66-36.4-179-179.668.6000115V555 A558 K559 I562 P590 V591 D597V555-L594 HydrophobicContact CG1-CD2 3.82Å; V555-L594 WeakPolarHBondContact O-CD2 3.39Å; A558-L594 HydrophobicContact CB-CD2 3.84Å; K559-L594 HydrophobicContact CB-CD1 4.27Å; K559-L594 HydrophobicContact CB-CD2 3.84Å; K559-L594 HydrophobicContact CD-CD1 4.42Å; K559-L594 HydrophobicContact CG-CD1 4.24Å; I562-L594 HydrophobicContact CD1-CD2 4.35Å; I562-L594 HydrophobicContact CD1-CG 4.03Å; P590-L594 WeakPolarHBondContact O-CB 3.42Å; P590-L594 PolarHBondContact O-N 3.08Å; P590-L594 VanDerWaalsContact O-N 3.15Å; V591-L594 PolarHBondContact O-N 3.45Å; L594-D597 WeakPolarHBondContact CA-OD2 2.95Å; L594-D597 HydrophobicContact CD1-CB 4.48Å; L594-D597 WeakPolarHBondContact O-CB 3.34Å; L594-D597 PolarHBondContact O-N 3.27Å
595L94Very high91.3Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-74.5-19.3172.7-67.9170.2000111.4L546 A550 I562 V569 P579 A583 V591 V592 Q593 D597 R1619L546-L595 HydrophobicContact CD1-CD2 4Å; L546-L595 HydrophobicContact CD2-CD2 4.06Å; L546-L595 HydrophobicContact CG-CD2 4.09Å; A550-L595 HydrophobicContact CB-CD1 3.88Å; I562-L595 HydrophobicContact CD1-CD2 4.09Å; V569-L595 VanDerWaalsContact CG1-CA 3.44Å; V569-L595 HydrophobicContact CG1-CB 3.72Å; V569-L595 HydrophobicContact CG1-CD2 3.4Å; V569-L595 VanDerWaalsContact CG1-CD2 3.4Å; V569-L595 HydrophobicContact CG1-CG 4.15Å; V569-L595 WeakPolarHBondContact CG1-O 3.48Å; P579-L595 VanDerWaalsContact C-CD1 3.43Å; P579-L595 HydrophobicContact CB-CD1 3.8Å; P579-L595 HydrophobicContact CB-CD2 3.68Å; P579-L595 HydrophobicContact CB-CG 4.39Å; P579-L595 VanDerWaalsContact O-CD1 3.23Å; P579-L595 WeakPolarHBondContact O-CD1 3.45Å; A583-L595 HydrophobicContact CB-CD1 3.52Å; V591-L595 HydrophobicContact CG1-CD1 3.75Å; V591-L595 HydrophobicContact CG1-CD2 4.48Å; V591-L595 HydrophobicContact CG1-CG 3.76Å; V591-L595 WeakPolarHBondContact O-CB 3.3Å; V591-L595 WeakPolarHBondContact O-CD1 3.48Å; V591-L595 WeakPolarHBondContact O-CG 3.32Å; V591-L595 PolarHBondContact O-N 2.89Å; V592-L595 PolarHBondContact O-N 3.48Å; Q593-L595 PolarHBondContact O-N 3.38Å; L595-D597 VanDerWaalsContact C-N 3.34Å; L595-R1619 CarbonylContact O-C 3.05Å
596L92Very high91.1Very high0 Ų042 Ų420%022%0.216CC..THydrogen-bonded Turntrans-84.40.8165.1-68.3164.2000112L580 V592 Q593 V602 L627 L628 H631 S1618 R1619L580-L596 HydrophobicContact CD1-CD1 4.01Å; L580-L596 HydrophobicContact CD1-CD2 4.01Å; L580-L596 HydrophobicContact CD1-CG 3.76Å; L580-L596 HydrophobicContact CD2-CD2 3.66Å; L580-L596 HydrophobicContact CD2-CG 4.37Å; V592-L596 HydrophobicContact CG1-CD1 3.69Å; V592-L596 VanDerWaalsContact O-CB 3.23Å; V592-L596 WeakPolarHBondContact O-CB 3.45Å; V592-L596 WeakPolarHBondContact O-CD1 3.47Å; V592-L596 WeakPolarHBondContact O-CG 3.03Å; V592-L596 PolarHBondContact O-N 2.83Å; Q593-L596 CarbonylContact O-C 3.58Å; Q593-L596 VanDerWaalsContact O-C 3.24Å; Q593-L596 VanDerWaalsContact O-CA 3.26Å; Q593-L596 WeakPolarHBondContact O-CA 3.29Å; Q593-L596 WeakPolarHBondContact O-CB 3.47Å; Q593-L596 PolarHBondContact O-N 3.25Å; L596-V602 HydrophobicContact CD2-CG2 4.09Å; L596-L627 HydrophobicContact CD1-CD2 3.33Å; L596-L628 HydrophobicContact CD1-CD2 3.87Å; L596-H631 VanDerWaalsContact CB-NE2 3.31Å; L596-H631 WeakPolarHBondContact CB-NE2 3.31Å; L596-H631 WeakPolarHBondContact CD1-NE2 3.3Å; L596-S1618 CarbonylContact O-C 3.47Å; L596-S1618 WeakPolarHBondContact O-CA 3.31Å; L596-S1618 PolarHBondContact O-N 3.23Å; L596-S1618 PolarHBondContact O-OG 3.47Å; L596-R1619 VanDerWaalsContact C-CA 3.46Å; L596-R1619 HydrophobicContact CD2-CG 3.86Å; L596-R1619 WeakPolarHBondContact O-CA 3.33Å; L596-R1619 VanDerWaalsContact O-CB 3.32Å; L596-R1619 WeakPolarHBondContact O-CB 3.37Å; L596-R1619 PolarHBondContact O-N 3.47Å
597D90.9Very high90.6Very high53 Ų5341 Ų4128%0.28322%0.22SC..BIsolated β-bridgetrans-100.111.4-173.5-83.8-64.9000119.9Q593 L594 L595 E1617 S1618 R1619Q593-D597 VanDerWaalsContact C-OD2 3.32Å; Q593-D597 PolarHBondContact O-N 2.9Å; Q593-D597 VanDerWaalsContact O-N 3.13Å; L594-D597 WeakPolarHBondContact CA-OD2 2.95Å; L594-D597 HydrophobicContact CD1-CB 4.48Å; L594-D597 WeakPolarHBondContact O-CB 3.34Å; L594-D597 PolarHBondContact O-N 3.27Å; L595-D597 VanDerWaalsContact C-N 3.34Å; D597-E1617 VanDerWaalsContact OD1-CA 3.23Å; D597-E1617 WeakPolarHBondContact OD1-CA 3.49Å; D597-E1617 PolarHBondContact OD1-N 2.9Å; D597-S1618 CarbonylContact C-O 3.51Å; D597-S1618 VanDerWaalsContact CA-C 3.48Å; D597-R1619 VanDerWaalsContact C-N 3.3Å
598N91.7Very high90.1Very high63 Ų6340 Ų4034%0.33722%0.215SC..BIsolated β-bridgetrans-110.8-69.7166.3-85-139.1000122.5I562 V569 S1618 R1619 S1620I562-N598 HydrophobicContact CG2-CB 4.27Å; I562-N598 WeakPolarHBondContact CG2-OD1 3.45Å; V569-N598 HydrophobicContact CG2-CB 4.29Å; N598-S1618 VanDerWaalsContact C-C 3.48Å; N598-S1618 CarbonylContact C-O 3.57Å; N598-S1618 WeakPolarHBondContact CA-O 3.32Å; N598-S1618 PolarHBondContact N-O 3.38Å; N598-R1619 WeakPolarHBondContact CA-O 3.33Å; N598-R1619 VanDerWaalsContact N-C 3.34Å; N598-R1619 PolarHBondContact N-O 2.89Å; N598-R1619 PolarHBondContact O-N 3.18Å; N598-S1620 VanDerWaalsContact CB-OG 3.23Å; N598-S1620 WeakPolarHBondContact CB-OG 3.31Å
599N88.9Confident89.7Confident120 Ų12039.5 Ų39.564%0.64222%0.215SC*.SBendtrans-170.476.2151.4-116-113000119.6R1619 S1620 H1621N599-R1619 VanDerWaalsContact C-C 3.47Å; N599-R1619 VanDerWaalsContact CA-C 3.43Å; N599-R1619 VanDerWaalsContact CA-N 3.27Å; N599-S1620 VanDerWaalsContact CA-CB 3.42Å; N599-S1620 PolarHBondContact N-OG 3Å; N599-S1620 WeakPolarHBondContact O-CA 3.33Å; N599-S1620 WeakPolarHBondContact O-CB 3.2Å; N599-H1621 PolarHBondContact O-CD2 3.26Å; N599-H1621 VanDerWaalsContact O-CD2 3.29Å
600A90Very high89.7Confident13 Ų1337.2 Ų37.211%0.10720%0.203CC..  trans-110.1-157.6-164.100000117.4N570 R1619 H1621N570-A600 VanDerWaalsContact ND2-CA 3.32Å; N570-A600 WeakPolarHBondContact ND2-CA 3.49Å; N570-A600 WeakPolarHBondContact ND2-CB 3.25Å; N570-A600 VanDerWaalsContact OD1-CB 3.25Å; N570-A600 WeakPolarHBondContact OD1-CB 3.26Å; A600-R1619 VanDerWaalsContact C-CG 3.46Å; A600-R1619 HydrophobicContact CB-CB 3.65Å; A600-R1619 HydrophobicContact CB-CG 3.51Å; A600-R1619 VanDerWaalsContact O-CD 3.23Å; A600-R1619 WeakPolarHBondContact O-CD 3.43Å; A600-H1621 VanDerWaalsContact CA-CD2 3.49Å; A600-H1621 WeakPolarHBondContact CA-CD2 3.4Å
601Q87.6Confident89.5Confident77 Ų7733.5 Ų33.536%0.3618%0.179SC..  trans-143.4125.1-172-89.5171.94.200112.1D603 C604 H1621Q601-D603 WeakPolarHBondContact CB-OD1 3.41Å; Q601-D603 WeakPolarHBondContact CG-OD1 3.43Å; Q601-C604 VanDerWaalsContact CB-SG 3.55Å; Q601-H1621 WeakPolarHBondContact CG-NE2 3.47Å; Q601-H1621 PolarHBondContact NE2-NE2 3.11Å; Q601-H1621 PolarHBondContact OE1-CE1 2.84Å; Q601-H1621 PolarHBondContact OE1-NE2 2.86Å
602V87.2Confident89.5Confident0 Ų033.4 Ų33.40%018%0.178CC..SBendtrans-83.3-23.7173.9-170.30000110.7L596 L628 H631 E632 I638L596-V602 HydrophobicContact CD2-CG2 4.09Å; V602-L628 HydrophobicContact CG1-CB 3.79Å; V602-L628 HydrophobicContact CG1-CD2 3.67Å; V602-L628 HydrophobicContact CG1-CG 4.21Å; V602-H631 HydrophobicContact CG2-CB 4.26Å; V602-E632 WeakPolarHBondContact CB-OE2 3.23Å; V602-E632 WeakPolarHBondContact CG2-OE2 3.39Å; V602-I638 HydrophobicContact CB-CD1 3.83Å; V602-I638 HydrophobicContact CG1-CD1 3.46Å; V602-I638 VanDerWaalsContact CG1-CD1 3.46Å
603D85.8Confident89.4Confident68 Ų6833.4 Ų33.436%0.36418%0.178SC..SBendtrans-85.6-1.918072.3-50.1000114.2Q601 R605Q601-D603 WeakPolarHBondContact CB-OD1 3.41Å; Q601-D603 WeakPolarHBondContact CG-OD1 3.43Å; D603-R605 PolarHBondContact O-N 3.25Å
604C87.2Confident89.4Confident24 Ų2430.7 Ų30.716%0.16217%0.165CC..  trans-48.6136.5166.4-830000109.6H581 Q601 T611H581-C604 PolarHBondContact CE1-O 3.44Å; H581-C604 VanDerWaalsContact CE1-O 3.25Å; H581-C604 PolarHBondContact NE2-O 2.89Å; Q601-C604 VanDerWaalsContact CB-SG 3.55Å; C604-T611 WeakPolarHBondContact O-CA 3.04Å
605R88.8Confident89.4Confident110 Ų11029.9 Ų29.942%0.41516%0.161SC..  trans-115.6132.4179.8-73.7179.9167.676.8-8.3111.1D603 G609 Y610 T611 S642D603-R605 PolarHBondContact O-N 3.25Å; R605-G609 WeakPolarHBondContact CD-O 3.33Å; R605-G609 WeakPolarHBondContact CG-O 3.24Å; R605-G609 PolarHBondContact NE-O 2.96Å; R605-Y610 CarbonylContact C-O 3.21Å; R605-Y610 VanDerWaalsContact CA-O 3.28Å; R605-Y610 WeakPolarHBondContact CA-O 3.13Å; R605-T611 HydrophobicContact CG-CG2 3.83Å; R605-S642 PolarHBondContact NE-O 3.03Å; R605-S642 PolarHBondContact NH2-O 3.47Å
606A87.6Confident89.4Confident7 Ų729.9 Ų29.96%0.05816%0.161CC..  trans-67.7171.7163.500000111.1L577 N608 G609 Y610 M615L577-A606 HydrophobicContact CD2-CB 3.92Å; A606-N608 VanDerWaalsContact C-N 3.26Å; A606-N608 PolarHBondContact O-N 3.41Å; A606-N608 VanDerWaalsContact O-N 3.13Å; A606-G609 WeakPolarHBondContact O-CA 3.13Å; A606-G609 PolarHBondContact O-N 3.07Å; A606-Y610 PolarHBondContact N-O 3.03Å; A606-M615 HydrophobicContact CB-CE 4.01Å
607G82.7Confident89.4Confident26 Ų2629.9 Ų29.927%0.26816%0.161SC..THydrogen-bonded Turntrans-60.5-26.3-172.800000115.9N575 G609 R644N575-G607 PolarHBondContact O-N 2.94Å; G607-G609 VanDerWaalsContact C-N 3.25Å; G607-G609 PolarHBondContact O-N 2.7Å; G607-R644 PolarHBondContact O-NH1 2.79Å; G607-R644 VanDerWaalsContact O-NH1 3.07Å
608N81.8Confident89.5Confident52 Ų5229 Ų2928%0.27816%0.155SC..THydrogen-bonded Turntrans-79.9-1.8171.968.2-5.7000113.5A606 Y610 R644A606-N608 VanDerWaalsContact C-N 3.26Å; A606-N608 PolarHBondContact O-N 3.41Å; A606-N608 VanDerWaalsContact O-N 3.13Å; N608-Y610 VanDerWaalsContact OD1-CB 3.24Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.3Å; N608-Y610 PolarHBondContact OD1-N 2.93Å; N608-R644 WeakPolarHBondContact O-CB 3.2Å; N608-R644 PolarHBondContact O-N 2.99Å
609G86.3Confident89.5Confident8 Ų828.4 Ų28.48%0.08215%0.15CC..SBendtrans84.93-17800000115.2R605 A606 G607R605-G609 WeakPolarHBondContact CD-O 3.33Å; R605-G609 WeakPolarHBondContact CG-O 3.24Å; R605-G609 PolarHBondContact NE-O 2.96Å; A606-G609 WeakPolarHBondContact O-CA 3.13Å; A606-G609 PolarHBondContact O-N 3.07Å; G607-G609 VanDerWaalsContact C-N 3.25Å; G607-G609 PolarHBondContact O-N 2.7Å
610Y90.8Very high89.7Confident3 Ų325.4 Ų25.41%0.01213%0.134CC..  trans-70.8134.9178.4-78.120.2000110.6H581 R605 A606 N608 H614 M615 L652 P832H581-Y610 PolarHBondContact NE2-O 2.98Å; R605-Y610 CarbonylContact C-O 3.21Å; R605-Y610 VanDerWaalsContact CA-O 3.28Å; R605-Y610 WeakPolarHBondContact CA-O 3.13Å; A606-Y610 PolarHBondContact N-O 3.03Å; N608-Y610 VanDerWaalsContact OD1-CB 3.24Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.3Å; N608-Y610 PolarHBondContact OD1-N 2.93Å; Y610-H614 HydrophobicContact CD1-CB 4.35Å; Y610-H614 AromaticContact CD1-CD2 3.95Å; Y610-H614 HydrophobicContact CD2-CB 3.87Å; Y610-H614 HydrophobicContact CG-CB 3.76Å; Y610-M615 HydrophobicContact CD2-CG 4.48Å; Y610-L652 HydrophobicContact CD2-CD1 4.45Å; Y610-L652 HydrophobicContact CE1-CD1 4.37Å; Y610-L652 HydrophobicContact CE2-CD1 3.78Å; Y610-L652 WeakPolarHBondContact OH-CD2 2.92Å; Y610-P832 HydrophobicContact CE2-CB 4.37Å; Y610-P832 WeakPolarHBondContact OH-CB 3.16Å; Y610-P832 WeakPolarHBondContact OH-CG 3.36Å
611T92Very high89.8Confident0 Ų026.1 Ų26.10%014%0.135CC..  trans-87.1171.2165.1620000110.6C604 R605 L613 H614 M615C604-T611 WeakPolarHBondContact O-CA 3.04Å; R605-T611 HydrophobicContact CG-CG2 3.83Å; T611-L613 PolarHBondContact O-N 2.78Å; T611-H614 PolarHBondContact N-ND1 3.46Å; T611-H614 WeakPolarHBondContact O-CB 3.37Å; T611-H614 PolarHBondContact O-N 3.21Å; T611-H614 PolarHBondContact OG1-ND1 3.06Å; T611-M615 PolarHBondContact O-N 3.28Å
612S92.1Very high90.1Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-58.6-33.4174-61.40000111.6H581 T584 H614 M615 A616H581-S612 PolarHBondContact CD2-N 3.5Å; H581-S612 PolarHBondContact CD2-OG 3.25Å; H581-S612 PolarHBondContact NE2-N 2.9Å; H581-S612 VanDerWaalsContact NE2-N 3.18Å; H581-S612 PolarHBondContact NE2-OG 3.18Å; T584-S612 VanDerWaalsContact CG2-O 3.29Å; T584-S612 WeakPolarHBondContact CG2-O 3.43Å; S612-H614 VanDerWaalsContact C-N 3.33Å; S612-H614 PolarHBondContact O-N 3.15Å; S612-M615 PolarHBondContact O-N 3.43Å; S612-A616 PolarHBondContact O-N 2.98Å
613L93.8Very high90.3Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-66-29.4173.7-172.962.1000113.3T611 A617 A625 L629 I638 P649 L665T611-L613 PolarHBondContact O-N 2.78Å; L613-A617 WeakPolarHBondContact O-CB 3.12Å; L613-A617 PolarHBondContact O-N 3.42Å; L613-A625 HydrophobicContact CD1-CB 3.83Å; L613-L629 HydrophobicContact CD1-CD1 4.32Å; L613-L629 HydrophobicContact CD1-CG 4.11Å; L613-L629 HydrophobicContact CD2-CD2 3.79Å; L613-L629 HydrophobicContact CD2-CG 4.12Å; L613-I638 HydrophobicContact CD2-CG1 4.05Å; L613-I638 HydrophobicContact CD2-CG2 4.23Å; L613-P649 HydrophobicContact CB-CG 4.41Å; L613-P649 HydrophobicContact CD2-CB 4.48Å; L613-P649 HydrophobicContact CD2-CG 4.08Å; L613-P649 HydrophobicContact CG-CB 4.15Å; L613-P649 HydrophobicContact CG-CG 3.94Å; L613-L665 HydrophobicContact CD1-CD2 4.44Å; L613-L665 HydrophobicContact CD2-CD2 4.16Å; L613-L665 HydrophobicContact CG-CD2 4.44Å
614H93.1Very high90.7Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-67.6-40.5172.2-72.269.5000111.3Y610 T611 S612 A617 K618 S641 S643 F647 L652Y610-H614 HydrophobicContact CD1-CB 4.35Å; Y610-H614 AromaticContact CD1-CD2 3.95Å; Y610-H614 HydrophobicContact CD2-CB 3.87Å; Y610-H614 HydrophobicContact CG-CB 3.76Å; T611-H614 PolarHBondContact N-ND1 3.46Å; T611-H614 WeakPolarHBondContact O-CB 3.37Å; T611-H614 PolarHBondContact O-N 3.21Å; T611-H614 PolarHBondContact OG1-ND1 3.06Å; S612-H614 VanDerWaalsContact C-N 3.33Å; S612-H614 PolarHBondContact O-N 3.15Å; H614-A617 PolarHBondContact O-N 3.41Å; H614-K618 PolarHBondContact O-N 3.15Å; H614-S641 PolarHBondContact CE1-O 3.22Å; H614-S641 PolarHBondContact CE1-OG 3.26Å; H614-S641 PolarHBondContact NE2-O 3.5Å; H614-S643 PolarHBondContact NE2-N 3.41Å; H614-F647 PolarHBondContact NE2-O 3.46Å; H614-L652 HydrophobicContact CB-CD1 3.89Å
615M92.6Very high91Very high4 Ų425.9 Ų25.92%0.0213%0.134CC..Hα-helixtrans-68-45.1178.3-62.9-179.2-174.600111.1L577 H581 T584 A606 Y610 T611 S612 A617 K618 Q619 F833L577-M615 HydrophobicContact CD2-CE 3.75Å; H581-M615 HydrophobicContact CB-CE 4.12Å; H581-M615 HydrophobicContact CB-SD 3.84Å; T584-M615 HydrophobicContact CG2-CB 4.17Å; A606-M615 HydrophobicContact CB-CE 4.01Å; Y610-M615 HydrophobicContact CD2-CG 4.48Å; T611-M615 PolarHBondContact O-N 3.28Å; S612-M615 PolarHBondContact O-N 3.43Å; M615-A617 VanDerWaalsContact C-N 3.31Å; M615-A617 PolarHBondContact O-N 3.02Å; M615-K618 PolarHBondContact O-N 3.46Å; M615-Q619 WeakPolarHBondContact O-CG 3.28Å; M615-Q619 PolarHBondContact O-N 2.94Å; M615-F833 HydrophobicContact CE-CZ 4.27Å
616A94Very high91.1Very high0 Ų023.5 Ų23.50%013%0.132CC..Hα-helixtrans-60.1-40.3173.800000112.2T584 S612 N620 H621 I624 A625 L628 M661T584-A616 HydrophobicContact CG2-CB 3.78Å; S612-A616 PolarHBondContact O-N 2.98Å; A616-N620 PolarHBondContact O-N 2.81Å; A616-N620 VanDerWaalsContact O-N 3.11Å; A616-H621 HydrophobicContact CB-CB 4.31Å; A616-H621 PolarHBondContact O-N 3.28Å; A616-I624 HydrophobicContact CB-CG2 4.18Å; A616-A625 HydrophobicContact CB-CB 4.01Å; A616-L628 HydrophobicContact CB-CD1 4.16Å; A616-M661 WeakPolarHBondContact O-CE 3.31Å
617A93.8Very high91.3Very high0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-73.4-24.7179.100000114.4L613 H614 M615 P649 A653 H658 M661 L665L613-A617 WeakPolarHBondContact O-CB 3.12Å; L613-A617 PolarHBondContact O-N 3.42Å; H614-A617 PolarHBondContact O-N 3.41Å; M615-A617 VanDerWaalsContact C-N 3.31Å; M615-A617 PolarHBondContact O-N 3.02Å; A617-P649 HydrophobicContact CB-CB 3.75Å; A617-A653 HydrophobicContact CB-CB 4.45Å; A617-H658 PolarHBondContact O-CD2 2.85Å; A617-M661 HydrophobicContact CB-CG 4.03Å; A617-M661 HydrophobicContact CB-SD 4.21Å; A617-L665 HydrophobicContact CB-CD1 4.18Å
618K92Very high91.8Very high34 Ų3422.6 Ų22.615%0.14812%0.12CC..Hα-helixtrans-77.5-46.3171.8-161.8-167.3-179.9-165.20111.5H614 M615 N620 L652 E656 H658 P832H614-K618 PolarHBondContact O-N 3.15Å; M615-K618 PolarHBondContact O-N 3.46Å; K618-N620 VanDerWaalsContact C-N 3.29Å; K618-N620 PolarHBondContact O-N 2.94Å; K618-L652 HydrophobicContact CB-CB 4.42Å; K618-L652 HydrophobicContact CB-CD1 4.44Å; K618-E656 WeakPolarHBondContact CE-OE1 3.35Å; K618-E656 HydrophobicContact CG-CG 3.86Å; K618-E656 WeakPolarHBondContact CG-OE1 3.19Å; K618-E656 IonicContact NZ-OE1 3.3Å; K618-H658 PolarHBondContact O-CD2 3.02Å; K618-H658 PolarHBondContact O-NE2 2.96Å; K618-P832 PolarHBondContact NZ-O 2.86Å
619Q91Very high92.2Very high51 Ų5120.1 Ų20.124%0.23811%0.107CC..THydrogen-bonded Turntrans-86.611-176.4-55.2-69.142.700114.1H585 M615 H621 E892H585-Q619 PolarHBondContact CE1-NE2 2.98Å; H585-Q619 VanDerWaalsContact CE1-NE2 3.29Å; H585-Q619 PolarHBondContact NE2-NE2 2.61Å; M615-Q619 WeakPolarHBondContact O-CG 3.28Å; M615-Q619 PolarHBondContact O-N 2.94Å; Q619-H621 VanDerWaalsContact CB-CE1 3.46Å; Q619-H621 WeakPolarHBondContact CB-CE1 3.3Å; Q619-H621 PolarHBondContact O-CD2 2.94Å; Q619-H621 PolarHBondContact O-N 2.83Å; Q619-H621 VanDerWaalsContact O-N 3.16Å; Q619-H621 PolarHBondContact O-NE2 3.28Å; Q619-E892 PolarHBondContact NE2-OE1 3.17Å
620N93.7Very high92.2Very high57 Ų5721.2 Ų21.231%0.30512%0.115SC..THydrogen-bonded Turntrans51.331.6-176.3-154.614.9000116.1A616 K618 L622 H658A616-N620 PolarHBondContact O-N 2.81Å; A616-N620 VanDerWaalsContact O-N 3.11Å; K618-N620 VanDerWaalsContact C-N 3.29Å; K618-N620 PolarHBondContact O-N 2.94Å; N620-L622 PolarHBondContact O-N 2.94Å; N620-H658 HydrophobicContact CB-CB 4.39Å; N620-H658 VanDerWaalsContact CG-CG 3.49Å; N620-H658 PolarHBondContact ND2-ND1 2.72Å
621H93.2Very high91.8Very high28 Ų2821.6 Ų21.613%0.1312%0.117CC..  trans-77.672.9179.4-62158.1000110.9T584 H585 A616 Q619 D623 I624 A625T584-H621 PolarHBondContact O-CE1 2.75Å; T584-H621 PolarHBondContact O-ND1 2.85Å; H585-H621 PolarHBondContact O-CE1 2.9Å; A616-H621 HydrophobicContact CB-CB 4.31Å; A616-H621 PolarHBondContact O-N 3.28Å; Q619-H621 VanDerWaalsContact CB-CE1 3.46Å; Q619-H621 WeakPolarHBondContact CB-CE1 3.3Å; Q619-H621 PolarHBondContact O-CD2 2.94Å; Q619-H621 PolarHBondContact O-N 2.83Å; Q619-H621 VanDerWaalsContact O-N 3.16Å; Q619-H621 PolarHBondContact O-NE2 3.28Å; H621-D623 PolarHBondContact O-N 2.73Å; H621-I624 HydrophobicContact CB-CB 4.02Å; H621-I624 HydrophobicContact CB-CD1 4.11Å; H621-I624 HydrophobicContact CB-CG1 4.42Å; H621-I624 CarbonylContact O-C 3.6Å; H621-I624 PolarHBondContact O-N 3.45Å; H621-I624 VanDerWaalsContact O-N 3.12Å; H621-A625 WeakPolarHBondContact O-CB 3.26Å; H621-A625 PolarHBondContact O-N 2.78Å
622L92Very high91.1Very high53 Ų5323.6 Ų23.628%0.27713%0.126SC..Hα-helixtrans-54-45.7-173.6-74.7165.4000113.6N620 I624 A625 T626 D660 M661 L664N620-L622 PolarHBondContact O-N 2.94Å; L622-I624 VanDerWaalsContact C-N 3.35Å; L622-I624 PolarHBondContact O-N 2.9Å; L622-A625 PolarHBondContact O-N 3.3Å; L622-T626 VanDerWaalsContact O-CB 3.27Å; L622-T626 WeakPolarHBondContact O-CB 3.11Å; L622-T626 PolarHBondContact O-N 3.12Å; L622-T626 PolarHBondContact O-OG1 2.87Å; L622-D660 HydrophobicContact CD1-CB 3.96Å; L622-D660 HydrophobicContact CD2-CB 4.01Å; L622-M661 HydrophobicContact CD2-CB 4.05Å; L622-M661 HydrophobicContact CD2-CE 3.86Å; L622-M661 HydrophobicContact CD2-SD 4.33Å; L622-M661 HydrophobicContact CG-CE 4.13Å; L622-L664 HydrophobicContact CD2-CD2 4.47Å
623D92.9Very high90.1Very high110 Ų11029.5 Ų29.559%0.58817%0.167SC*.Hα-helixtrans-62.7-44.2177.8-71.4-30.5000111.2L589 H621 L627L589-D623 HydrophobicContact CD1-CB 4.04Å; L589-D623 HydrophobicContact CD2-CB 3.91Å; H621-D623 PolarHBondContact O-N 2.73Å; D623-L627 WeakPolarHBondContact O-CB 3.43Å; D623-L627 PolarHBondContact O-N 3.01Å
624I93.6Very high89.4Confident0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-66.9-44.5177.5-65.7169.9000110.2T584 N587 L589 V592 A616 H621 L622 T626 L627 L628T584-I624 HydrophobicContact CG2-CG2 3.71Å; N587-I624 VanDerWaalsContact OD1-CD1 3.26Å; N587-I624 WeakPolarHBondContact OD1-CD1 3.18Å; L589-I624 HydrophobicContact CB-CG1 4.35Å; L589-I624 HydrophobicContact CD1-CG1 3.75Å; V592-I624 HydrophobicContact CG1-CG1 4.4Å; V592-I624 HydrophobicContact CG1-CG2 3.99Å; V592-I624 HydrophobicContact CG2-CD1 3.95Å; V592-I624 HydrophobicContact CG2-CG1 4.28Å; V592-I624 HydrophobicContact CG2-CG2 4.44Å; A616-I624 HydrophobicContact CB-CG2 4.18Å; H621-I624 HydrophobicContact CB-CB 4.02Å; H621-I624 HydrophobicContact CB-CD1 4.11Å; H621-I624 HydrophobicContact CB-CG1 4.42Å; H621-I624 CarbonylContact O-C 3.6Å; H621-I624 PolarHBondContact O-N 3.45Å; H621-I624 VanDerWaalsContact O-N 3.12Å; L622-I624 VanDerWaalsContact C-N 3.35Å; L622-I624 PolarHBondContact O-N 2.9Å; I624-T626 PolarHBondContact O-N 3.44Å; I624-L627 PolarHBondContact O-N 2.79Å; I624-L628 HydrophobicContact CG2-CD1 3.58Å; I624-L628 HydrophobicContact CG2-CG 3.95Å; I624-L628 WeakPolarHBondContact O-CB 3.48Å; I624-L628 WeakPolarHBondContact O-CG 3.32Å; I624-L628 PolarHBondContact O-N 2.81Å
625A92.7Very high88.7Confident0 Ų036.1 Ų36.10%020%0.201CC..Hα-helixtrans-60.9-45.9176.800000112.1L613 A616 H621 L622 L627 L628 L629 M661 L664L613-A625 HydrophobicContact CD1-CB 3.83Å; A616-A625 HydrophobicContact CB-CB 4.01Å; H621-A625 WeakPolarHBondContact O-CB 3.26Å; H621-A625 PolarHBondContact O-N 2.78Å; L622-A625 PolarHBondContact O-N 3.3Å; A625-L627 VanDerWaalsContact C-N 3.32Å; A625-L627 PolarHBondContact O-N 2.67Å; A625-L628 PolarHBondContact O-N 2.83Å; A625-L629 VanDerWaalsContact O-CB 3.3Å; A625-L629 WeakPolarHBondContact O-CB 3.48Å; A625-L629 WeakPolarHBondContact O-CD1 3.48Å; A625-L629 VanDerWaalsContact O-CG 3.26Å; A625-L629 WeakPolarHBondContact O-CG 3.4Å; A625-L629 PolarHBondContact O-N 2.83Å; A625-M661 HydrophobicContact CB-CE 3.65Å; A625-M661 HydrophobicContact CB-SD 3.46Å; A625-M661 WeakPolarHBondContact CB-SD 3.14Å; A625-L664 HydrophobicContact CB-CD2 4.03Å
626T92.1Very high88.1Confident61 Ų6141 Ų4137%0.37423%0.226SC..Hα-helixtrans-60-43.6175.1-57.30000110.9L622 I624 L629 A630 L664L622-T626 VanDerWaalsContact O-CB 3.27Å; L622-T626 WeakPolarHBondContact O-CB 3.11Å; L622-T626 PolarHBondContact O-N 3.12Å; L622-T626 PolarHBondContact O-OG1 2.87Å; I624-T626 PolarHBondContact O-N 3.44Å; T626-L629 PolarHBondContact O-N 2.83Å; T626-A630 VanDerWaalsContact O-CB 3.28Å; T626-A630 WeakPolarHBondContact O-CB 3.39Å; T626-A630 PolarHBondContact O-N 3.39Å; T626-L664 WeakPolarHBondContact OG1-CD2 3.03Å
627L91.6Very high87.6Confident13 Ų1347.6 Ų47.67%0.06826%0.257CS..Hα-helixtrans-66-50.5179.1-173150.3000110.6L589 V592 L596 D623 I624 A625 L629 A630 H631L589-L627 HydrophobicContact CD1-CD1 3.86Å; V592-L627 HydrophobicContact CG1-CD2 4.08Å; L596-L627 HydrophobicContact CD1-CD2 3.33Å; D623-L627 WeakPolarHBondContact O-CB 3.43Å; D623-L627 PolarHBondContact O-N 3.01Å; I624-L627 PolarHBondContact O-N 2.79Å; A625-L627 VanDerWaalsContact C-N 3.32Å; A625-L627 PolarHBondContact O-N 2.67Å; L627-L629 VanDerWaalsContact C-N 3.34Å; L627-L629 PolarHBondContact O-N 3.38Å; L627-A630 PolarHBondContact O-N 3.34Å; L627-A630 VanDerWaalsContact O-N 3.1Å; L627-H631 WeakPolarHBondContact CD2-CE1 3.34Å; L627-H631 VanDerWaalsContact CG-CE1 3.49Å; L627-H631 WeakPolarHBondContact CG-CE1 3.5Å; L627-H631 PolarHBondContact O-N 3.14Å; L627-H631 PolarHBondContact O-ND1 3.12Å
628L92.1Very high87.1Confident0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-57.2-42.3175-65.4167.4000111.9L580 T584 L596 V602 A616 I624 A625 H631 E632L580-L628 HydrophobicContact CD1-CD2 4.3Å; L580-L628 HydrophobicContact CD2-CD2 4.34Å; T584-L628 HydrophobicContact CG2-CD1 4.3Å; L596-L628 HydrophobicContact CD1-CD2 3.87Å; V602-L628 HydrophobicContact CG1-CB 3.79Å; V602-L628 HydrophobicContact CG1-CD2 3.67Å; V602-L628 HydrophobicContact CG1-CG 4.21Å; A616-L628 HydrophobicContact CB-CD1 4.16Å; I624-L628 HydrophobicContact CG2-CD1 3.58Å; I624-L628 HydrophobicContact CG2-CG 3.95Å; I624-L628 WeakPolarHBondContact O-CB 3.48Å; I624-L628 WeakPolarHBondContact O-CG 3.32Å; I624-L628 PolarHBondContact O-N 2.81Å; A625-L628 PolarHBondContact O-N 2.83Å; L628-H631 PolarHBondContact O-N 3.33Å; L628-E632 PolarHBondContact O-N 3.47Å
629L90.2Very high86.9Confident0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-66.4-37.6174.8-76.8164.4000112.4L613 A625 T626 L627 H631 Q635 I638 A639 L664 L665 H668L613-L629 HydrophobicContact CD1-CD1 4.32Å; L613-L629 HydrophobicContact CD1-CG 4.11Å; L613-L629 HydrophobicContact CD2-CD2 3.79Å; L613-L629 HydrophobicContact CD2-CG 4.12Å; A625-L629 VanDerWaalsContact O-CB 3.3Å; A625-L629 WeakPolarHBondContact O-CB 3.48Å; A625-L629 WeakPolarHBondContact O-CD1 3.48Å; A625-L629 VanDerWaalsContact O-CG 3.26Å; A625-L629 WeakPolarHBondContact O-CG 3.4Å; A625-L629 PolarHBondContact O-N 2.83Å; T626-L629 PolarHBondContact O-N 2.83Å; L627-L629 VanDerWaalsContact C-N 3.34Å; L627-L629 PolarHBondContact O-N 3.38Å; L629-H631 VanDerWaalsContact C-N 3.29Å; L629-H631 PolarHBondContact O-N 3.42Å; L629-Q635 WeakPolarHBondContact O-CG 3.41Å; L629-Q635 PolarHBondContact O-NE2 2.75Å; L629-I638 HydrophobicContact CD2-CG2 3.95Å; L629-A639 HydrophobicContact CD2-CB 4.35Å; L629-L664 HydrophobicContact CD1-CD2 4.09Å; L629-L664 HydrophobicContact CD1-CG 4Å; L629-L665 HydrophobicContact CD1-CD2 4.34Å; L629-H668 HydrophobicContact CD1-CB 4.35Å; L629-H668 HydrophobicContact CD2-CB 4.12Å
630A86.9Confident86.9Confident31 Ų3145.4 Ų45.426%0.25625%0.248SC..Hα-helixtrans-69.5-27.4177.200000113T626 L627 R1616T626-A630 VanDerWaalsContact O-CB 3.28Å; T626-A630 WeakPolarHBondContact O-CB 3.39Å; T626-A630 PolarHBondContact O-N 3.39Å; L627-A630 PolarHBondContact O-N 3.34Å; L627-A630 VanDerWaalsContact O-N 3.1Å; A630-R1616 PolarHBondContact O-NH2 2.86Å
631H82.3Confident86.6Confident12 Ų1243.2 Ų43.26%0.05624%0.237CC..Hα-helixtrans-75.6-32.8-179.5-79.951.7000113.4L596 V602 L627 L628 L629 E1617 R1619L596-H631 VanDerWaalsContact CB-NE2 3.31Å; L596-H631 WeakPolarHBondContact CB-NE2 3.31Å; L596-H631 WeakPolarHBondContact CD1-NE2 3.3Å; V602-H631 HydrophobicContact CG2-CB 4.26Å; L627-H631 WeakPolarHBondContact CD2-CE1 3.34Å; L627-H631 VanDerWaalsContact CG-CE1 3.49Å; L627-H631 WeakPolarHBondContact CG-CE1 3.5Å; L627-H631 PolarHBondContact O-N 3.14Å; L627-H631 PolarHBondContact O-ND1 3.12Å; L628-H631 PolarHBondContact O-N 3.33Å; L629-H631 VanDerWaalsContact C-N 3.29Å; L629-H631 PolarHBondContact O-N 3.42Å; H631-E1617 VanDerWaalsContact CD2-CD 3.45Å; H631-E1617 WeakPolarHBondContact CD2-CG 3.34Å; H631-E1617 IonicContact CD2-OE1 2.7Å; H631-E1617 IonicContact CD2-OE2 3.39Å; H631-E1617 WeakPolarHBondContact CE1-CG 3.42Å; H631-E1617 IonicContact CE1-OE1 2.74Å; H631-E1617 IonicContact CG-OE1 3.6Å; H631-E1617 IonicContact CG-OE2 3.15Å; H631-E1617 IonicContact ND1-OE1 3.19Å; H631-E1617 PolarHBondContact ND1-OE1 2.92Å; H631-E1617 WeakPolarHBondContact NE2-CG 3.35Å; H631-R1619 VanDerWaalsContact C-NH2 3.26Å; H631-R1619 VanDerWaalsContact O-CZ 3.31Å; H631-R1619 PolarHBondContact O-NH1 2.75Å; H631-R1619 PolarHBondContact O-NH2 2.97Å
632E77.5Confident86.5Confident42 Ų4244.1 Ų44.120%0.19625%0.247CC..  trans-92.3132.1-169.2-154.854.6-110.600112V602 L628 D634 I638 R1619V602-E632 WeakPolarHBondContact CB-OE2 3.23Å; V602-E632 WeakPolarHBondContact CG2-OE2 3.39Å; L628-E632 PolarHBondContact O-N 3.47Å; E632-D634 VanDerWaalsContact C-N 3.33Å; E632-D634 PolarHBondContact O-N 3.28Å; E632-I638 HydrophobicContact CB-CD1 4.41Å; E632-I638 HydrophobicContact CB-CG2 4.17Å; E632-I638 HydrophobicContact CG-CB 4.37Å; E632-I638 HydrophobicContact CG-CD1 4.1Å; E632-I638 HydrophobicContact CG-CG2 4.29Å; E632-R1619 VanDerWaalsContact CD-NH2 3.33Å; E632-R1619 IonicContact OE1-NH2 3.06Å; E632-R1619 IonicContact OE2-CZ 3.29Å; E632-R1619 IonicContact OE2-NH2 3.63Å; E632-R1619 PolarHBondContact OE2-NH2 3.43Å
633S72Confident86.3Confident123 Ų12342 Ų4286%0.8624%0.236SC*.SBendtrans-75.3-21.5-170.855.20000114.2
634D78.6Confident86.1Confident74 Ų7445.5 Ų45.540%0.39624%0.241SC..  trans-116.283.8171.4-164.1-32.7000109.5E632 I636 Q637 I638E632-D634 VanDerWaalsContact C-N 3.33Å; E632-D634 PolarHBondContact O-N 3.28Å; D634-I636 PolarHBondContact O-N 3.4Å; D634-I636 PolarHBondContact OD1-N 2.89Å; D634-Q637 HydrophobicContact CB-CB 3.91Å; D634-Q637 PolarHBondContact O-N 2.99Å; D634-Q637 WeakPolarHBondContact OD1-CB 3.39Å; D634-Q637 PolarHBondContact OD1-N 3.43Å; D634-I638 PolarHBondContact O-N 3.29Å
635Q78.2Confident85.6Confident66 Ų6647.1 Ų47.131%0.30825%0.253SS..Hα-helixtrans-60.3-34.8-179-59.7-171.8-32.100111.8L629 I638 A639 H668L629-Q635 WeakPolarHBondContact O-CG 3.41Å; L629-Q635 PolarHBondContact O-NE2 2.75Å; Q635-I638 WeakPolarHBondContact O-CG2 3.37Å; Q635-I638 PolarHBondContact O-N 2.79Å; Q635-A639 WeakPolarHBondContact O-CB 3.34Å; Q635-A639 PolarHBondContact O-N 3.34Å; Q635-H668 PolarHBondContact OE1-CE1 2.82Å; Q635-H668 PolarHBondContact OE1-ND1 3.34Å
636I79.4Confident85.5Confident105 Ų10547.5 Ų47.554%0.53826%0.256SS..Hα-helixtrans-68.4-43.5179.6-56.1174.8000109.6D634 I638 N640D634-I636 PolarHBondContact O-N 3.4Å; D634-I636 PolarHBondContact OD1-N 2.89Å; I636-I638 PolarHBondContact O-N 3Å; I636-N640 WeakPolarHBondContact O-CB 3.46Å; I636-N640 PolarHBondContact O-N 2.9Å; I636-N640 VanDerWaalsContact O-N 3.07Å; I636-N640 PolarHBondContact O-ND2 2.98Å
637Q83.7Confident85.4Confident140 Ų14044.6 Ų44.665%0.65424%0.239SC*.Hα-helixtrans-62.9-39.4177.4-175.1179.6-11.800112.3D634 N640 S641D634-Q637 HydrophobicContact CB-CB 3.91Å; D634-Q637 PolarHBondContact O-N 2.99Å; D634-Q637 WeakPolarHBondContact OD1-CB 3.39Å; D634-Q637 PolarHBondContact OD1-N 3.43Å; Q637-N640 CarbonylContact O-C 3.6Å; Q637-S641 PolarHBondContact O-N 2.99Å
638I84Confident85.5Confident7 Ų744 Ų444%0.03624%0.235CC..Hα-helixtrans-80.9-36.8-179.1-161.7163.9000113.1V602 L613 L629 E632 D634 Q635 I636 N640 S641V602-I638 HydrophobicContact CB-CD1 3.83Å; V602-I638 HydrophobicContact CG1-CD1 3.46Å; V602-I638 VanDerWaalsContact CG1-CD1 3.46Å; L613-I638 HydrophobicContact CD2-CG1 4.05Å; L613-I638 HydrophobicContact CD2-CG2 4.23Å; L629-I638 HydrophobicContact CD2-CG2 3.95Å; E632-I638 HydrophobicContact CB-CD1 4.41Å; E632-I638 HydrophobicContact CB-CG2 4.17Å; E632-I638 HydrophobicContact CG-CB 4.37Å; E632-I638 HydrophobicContact CG-CD1 4.1Å; E632-I638 HydrophobicContact CG-CG2 4.29Å; D634-I638 PolarHBondContact O-N 3.29Å; Q635-I638 WeakPolarHBondContact O-CG2 3.37Å; Q635-I638 PolarHBondContact O-N 2.79Å; I636-I638 PolarHBondContact O-N 3Å; I638-N640 PolarHBondContact O-N 2.88Å; I638-S641 VanDerWaalsContact O-CB 3.25Å; I638-S641 WeakPolarHBondContact O-CB 3.06Å; I638-S641 PolarHBondContact O-N 2.88Å; I638-S641 PolarHBondContact O-OG 3.32Å
639A86.8Confident85.6Confident0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-64-30.3173.300000112.5L629 Q635 L665 A670L629-A639 HydrophobicContact CD2-CB 4.35Å; Q635-A639 WeakPolarHBondContact O-CB 3.34Å; Q635-A639 PolarHBondContact O-N 3.34Å; A639-L665 HydrophobicContact CB-CD2 4.39Å; A639-A670 HydrophobicContact CB-CB 4.16Å
640N90.5Very high85.8Confident31 Ų3144 Ų4417%0.16624%0.235CC..THydrogen-bonded Turntrans-98.613.5172.1-63.9-77.9000113.6I636 Q637 I638 S642 G669 D671I636-N640 WeakPolarHBondContact O-CB 3.46Å; I636-N640 PolarHBondContact O-N 2.9Å; I636-N640 VanDerWaalsContact O-N 3.07Å; I636-N640 PolarHBondContact O-ND2 2.98Å; Q637-N640 CarbonylContact O-C 3.6Å; I638-N640 PolarHBondContact O-N 2.88Å; N640-S642 PolarHBondContact O-N 3.01Å; N640-G669 PolarHBondContact ND2-O 3.48Å; N640-D671 PolarHBondContact OD1-N 2.77Å
641S88.9Confident86.2Confident11 Ų1142.5 Ų42.58%0.07722%0.223CC..  trans-65.2133.517664.70000109.6H614 Q637 I638 T648 P649H614-S641 PolarHBondContact CE1-O 3.22Å; H614-S641 PolarHBondContact CE1-OG 3.26Å; H614-S641 PolarHBondContact NE2-O 3.5Å; Q637-S641 PolarHBondContact O-N 2.99Å; I638-S641 VanDerWaalsContact O-CB 3.25Å; I638-S641 WeakPolarHBondContact O-CB 3.06Å; I638-S641 PolarHBondContact O-N 2.88Å; I638-S641 PolarHBondContact O-OG 3.32Å; S641-T648 WeakPolarHBondContact O-CA 3.49Å; S641-P649 VanDerWaalsContact O-CD 3.24Å; S641-P649 WeakPolarHBondContact O-CD 3.48Å
642S89.8Confident86.7Confident47 Ų4742 Ų4233%0.32922%0.221SC..  trans-103.6147.6-179.8320000113R605 N640 F647R605-S642 PolarHBondContact NE-O 3.03Å; R605-S642 PolarHBondContact NH2-O 3.47Å; N640-S642 PolarHBondContact O-N 3.01Å; S642-F647 CarbonylContact C-O 3.54Å; S642-F647 VanDerWaalsContact CA-O 3.31Å; S642-F647 WeakPolarHBondContact CA-O 3.26Å
643S89.5Confident87.6Confident8 Ų840 Ų406%0.05621%0.212CC..  trans-66.5177.8168.474.10000112.4H614 S645 G646 F647H614-S643 PolarHBondContact NE2-N 3.41Å; S643-S645 PolarHBondContact O-N 3.4Å; S643-S645 VanDerWaalsContact O-N 3.15Å; S643-S645 PolarHBondContact OG-N 3.2Å; S643-S645 PolarHBondContact OG-OG 2.96Å; S643-G646 PolarHBondContact O-N 3.38Å; S643-G646 PolarHBondContact OG-N 3.03Å; S643-F647 PolarHBondContact N-O 3.32Å; S643-F647 PolarHBondContact OG-N 3.08Å; S643-F647 VanDerWaalsContact OG-N 3.13Å; S643-F647 PolarHBondContact OG-O 3.4Å
644R87.6Confident88.7Confident185 Ų18534.2 Ų34.270%0.69817%0.171SC*.SBendtrans-61.3-22.3173.9-168.9176.7-168.4129.20.5112.9G607 N608 K677G607-R644 PolarHBondContact O-NH1 2.79Å; G607-R644 VanDerWaalsContact O-NH1 3.07Å; N608-R644 WeakPolarHBondContact O-CB 3.2Å; N608-R644 PolarHBondContact O-N 2.99Å; R644-K677 PolarHBondContact O-NZ 2.71Å
645S84.1Confident89.3Confident34 Ų3432.5 Ų32.524%0.23816%0.16CC..SBendtrans-105.4-14.7-176.953.30000113.7S643 K677 E830S643-S645 PolarHBondContact O-N 3.4Å; S643-S645 VanDerWaalsContact O-N 3.15Å; S643-S645 PolarHBondContact OG-N 3.2Å; S643-S645 PolarHBondContact OG-OG 2.96Å; S645-K677 WeakPolarHBondContact O-CB 3.39Å; S645-K677 VanDerWaalsContact O-CD 3.32Å; S645-K677 WeakPolarHBondContact O-CD 3.29Å; S645-K677 WeakPolarHBondContact O-CG 3.17Å; S645-K677 PolarHBondContact O-N 2.85Å; S645-E830 VanDerWaalsContact CB-CD 3.46Å; S645-E830 WeakPolarHBondContact CB-OE1 3.48Å; S645-E830 VanDerWaalsContact CB-OE2 3.28Å; S645-E830 WeakPolarHBondContact CB-OE2 3.37Å; S645-E830 PolarHBondContact OG-OE1 3.32Å; S645-E830 VanDerWaalsContact OG-OE1 3.05Å; S645-E830 PolarHBondContact OG-OE2 2.92Å
646G88.6Confident90Very high7 Ų732.8 Ų32.87%0.07216%0.162CC..SBendtrans107.8-0.7170.900000115.2S643 S676S643-G646 PolarHBondContact O-N 3.38Å; S643-G646 PolarHBondContact OG-N 3.03Å; G646-S676 WeakPolarHBondContact O-CA 3.25Å; G646-S676 WeakPolarHBondContact O-CB 3.13Å
647F91.5Very high90.5Very high1 Ų128.7 Ų28.70%0.00415%0.146CC..  trans-65.7145.1169.2-81.7-137.3000109.4H614 S642 S643 H651 L652 L680 L685 E830H614-F647 PolarHBondContact NE2-O 3.46Å; S642-F647 CarbonylContact C-O 3.54Å; S642-F647 VanDerWaalsContact CA-O 3.31Å; S642-F647 WeakPolarHBondContact CA-O 3.26Å; S643-F647 PolarHBondContact N-O 3.32Å; S643-F647 PolarHBondContact OG-N 3.08Å; S643-F647 VanDerWaalsContact OG-N 3.13Å; S643-F647 PolarHBondContact OG-O 3.4Å; F647-H651 HydrophobicContact CB-CB 3.91Å; F647-H651 HydrophobicContact CD1-CB 3.6Å; F647-H651 HydrophobicContact CE1-CB 4.36Å; F647-H651 HydrophobicContact CG-CB 3.86Å; F647-L652 HydrophobicContact CD1-CD2 3.97Å; F647-L680 HydrophobicContact CE2-CD1 3.94Å; F647-L680 HydrophobicContact CZ-CD1 3.7Å; F647-L685 HydrophobicContact CD1-CD1 4Å; F647-L685 HydrophobicContact CE1-CD1 3.43Å; F647-L685 VanDerWaalsContact CE1-CD1 3.43Å; F647-L685 HydrophobicContact CE1-CD2 3.95Å; F647-L685 HydrophobicContact CE1-CG 4.34Å; F647-L685 HydrophobicContact CZ-CD1 3.94Å; F647-L685 HydrophobicContact CZ-CD2 4Å; F647-E830 HydrophobicContact CD2-CG 4.29Å; F647-E830 WeakPolarHBondContact CD2-OE1 3.46Å; F647-E830 HydrophobicContact CE1-CG 4.49Å; F647-E830 HydrophobicContact CE2-CG 3.7Å; F647-E830 WeakPolarHBondContact CE2-OE1 3.48Å; F647-E830 HydrophobicContact CZ-CB 4.42Å; F647-E830 HydrophobicContact CZ-CG 3.81Å
648T94Very high91Very high0 Ų023.8 Ų23.80%012%0.123CC..  trans-106.9169.8172.362.60000110S641 L650 H651 L652S641-T648 WeakPolarHBondContact O-CA 3.49Å; T648-L650 PolarHBondContact O-N 3Å; T648-L650 VanDerWaalsContact O-N 3.12Å; T648-H651 PolarHBondContact N-ND1 2.97Å; T648-H651 WeakPolarHBondContact O-CB 3.45Å; T648-H651 PolarHBondContact O-N 2.89Å; T648-H651 PolarHBondContact OG1-ND1 3.3Å; T648-L652 PolarHBondContact O-N 3.1Å
649P93.4Very high91.5Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-50.6-35.4170.6-29.836.5000113.2L613 A617 S641 H651 L652 A653 L665L613-P649 HydrophobicContact CB-CG 4.41Å; L613-P649 HydrophobicContact CD2-CB 4.48Å; L613-P649 HydrophobicContact CD2-CG 4.08Å; L613-P649 HydrophobicContact CG-CB 4.15Å; L613-P649 HydrophobicContact CG-CG 3.94Å; A617-P649 HydrophobicContact CB-CB 3.75Å; S641-P649 VanDerWaalsContact O-CD 3.24Å; S641-P649 WeakPolarHBondContact O-CD 3.48Å; P649-H651 PolarHBondContact O-N 2.6Å; P649-L652 PolarHBondContact O-N 2.73Å; P649-A653 WeakPolarHBondContact O-CB 3.47Å; P649-A653 PolarHBondContact O-N 2.61Å; P649-L665 HydrophobicContact CB-CD1 3.87Å; P649-L665 HydrophobicContact CB-CD2 3.92Å
650L95.5Very high91.8Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-69-29176.5-177.264.7000113.2T648 A654 V662 L665 L666 A670 P682 L698T648-L650 PolarHBondContact O-N 3Å; T648-L650 VanDerWaalsContact O-N 3.12Å; L650-A654 WeakPolarHBondContact O-CB 3.39Å; L650-A654 PolarHBondContact O-N 2.77Å; L650-A654 VanDerWaalsContact O-N 3.08Å; L650-V662 HydrophobicContact CD1-CB 4.28Å; L650-V662 HydrophobicContact CD1-CG1 3.99Å; L650-V662 HydrophobicContact CD1-CG2 4.21Å; L650-L665 HydrophobicContact CB-CD1 4.41Å; L650-L665 HydrophobicContact CD1-CB 4.31Å; L650-L666 HydrophobicContact CD1-CD2 4.31Å; L650-L666 HydrophobicContact CD1-CG 4.12Å; L650-L666 HydrophobicContact CD2-CD2 3.75Å; L650-L666 HydrophobicContact CD2-CG 4.42Å; L650-A670 HydrophobicContact CB-CB 3.98Å; L650-A670 HydrophobicContact CD2-CB 3.75Å; L650-A670 HydrophobicContact CG-CB 4.36Å; L650-P682 HydrophobicContact CD2-CG 4Å; L650-P682 HydrophobicContact CG-CB 4.25Å; L650-P682 HydrophobicContact CG-CG 3.94Å; L650-L698 HydrophobicContact CD1-CD2 4.44Å; L650-L698 HydrophobicContact CD2-CD2 4.43Å
651H94.4Very high92.1Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-66.7-44.7172.2-74.769.2000110.8F647 T648 P649 A654 Q655 H674 L685F647-H651 HydrophobicContact CB-CB 3.91Å; F647-H651 HydrophobicContact CD1-CB 3.6Å; F647-H651 HydrophobicContact CE1-CB 4.36Å; F647-H651 HydrophobicContact CG-CB 3.86Å; T648-H651 PolarHBondContact N-ND1 2.97Å; T648-H651 WeakPolarHBondContact O-CB 3.45Å; T648-H651 PolarHBondContact O-N 2.89Å; T648-H651 PolarHBondContact OG1-ND1 3.3Å; P649-H651 PolarHBondContact O-N 2.6Å; H651-A654 PolarHBondContact O-N 2.93Å; H651-Q655 WeakPolarHBondContact O-CB 3.31Å; H651-Q655 PolarHBondContact O-N 2.83Å; H651-H674 PolarHBondContact CE1-O 2.75Å; H651-H674 VanDerWaalsContact CE1-O 3.28Å; H651-H674 PolarHBondContact NE2-O 2.65Å; H651-L685 HydrophobicContact CB-CD1 3.69Å; H651-L685 WeakPolarHBondContact O-CD1 3.27Å
652L93.7Very high92.4Very high2 Ų228 Ų281%0.0115%0.146CC..Hα-helixtrans-67.8-48.8-180-58.3176.3000111Y610 H614 K618 F647 T648 P649 A654 Q655 E656Y610-L652 HydrophobicContact CD2-CD1 4.45Å; Y610-L652 HydrophobicContact CE1-CD1 4.37Å; Y610-L652 HydrophobicContact CE2-CD1 3.78Å; Y610-L652 WeakPolarHBondContact OH-CD2 2.92Å; H614-L652 HydrophobicContact CB-CD1 3.89Å; K618-L652 HydrophobicContact CB-CB 4.42Å; K618-L652 HydrophobicContact CB-CD1 4.44Å; F647-L652 HydrophobicContact CD1-CD2 3.97Å; T648-L652 PolarHBondContact O-N 3.1Å; P649-L652 PolarHBondContact O-N 2.73Å; L652-A654 PolarHBondContact O-N 2.87Å; L652-Q655 PolarHBondContact O-N 3.41Å; L652-E656 VanDerWaalsContact O-CG 3.29Å; L652-E656 WeakPolarHBondContact O-CG 3.28Å; L652-E656 PolarHBondContact O-N 2.69Å
653A94.9Very high92.6Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-59.6-29.8175.800000113.1A617 P649 G657 H658 M661 V662 L665A617-A653 HydrophobicContact CB-CB 4.45Å; P649-A653 WeakPolarHBondContact O-CB 3.47Å; P649-A653 PolarHBondContact O-N 2.61Å; A653-G657 PolarHBondContact O-N 3.02Å; A653-H658 PolarHBondContact O-N 2.86Å; A653-M661 HydrophobicContact CB-CB 4.01Å; A653-M661 HydrophobicContact CB-CG 3.62Å; A653-V662 HydrophobicContact CB-CG2 3.76Å; A653-V662 WeakPolarHBondContact O-CG2 3.47Å; A653-L665 HydrophobicContact CB-CD1 3.94Å
654A94.7Very high92.8Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-84.3-20175.800000114.5L650 H651 L652 V662 P682 A686 V694 L698L650-A654 WeakPolarHBondContact O-CB 3.39Å; L650-A654 PolarHBondContact O-N 2.77Å; L650-A654 VanDerWaalsContact O-N 3.08Å; H651-A654 PolarHBondContact O-N 2.93Å; L652-A654 PolarHBondContact O-N 2.87Å; A654-V662 HydrophobicContact CB-CG2 4.29Å; A654-P682 HydrophobicContact CB-CB 3.85Å; A654-A686 WeakPolarHBondContact O-CA 3.45Å; A654-A686 PolarHBondContact O-N 3.34Å; A654-V694 HydrophobicContact CB-CG1 3.78Å; A654-L698 HydrophobicContact CB-CD1 4.35Å
655Q92.9Very high93.1Very high38 Ų3819.2 Ų19.218%0.17811%0.111CC..Hα-helixtrans-82-37.6172.8-173.8180-20.100111.7H651 L652 L685 E689 H691H651-Q655 WeakPolarHBondContact O-CB 3.31Å; H651-Q655 PolarHBondContact O-N 2.83Å; L652-Q655 PolarHBondContact O-N 3.41Å; Q655-L685 HydrophobicContact CB-CB 3.97Å; Q655-L685 HydrophobicContact CB-CD1 4.32Å; Q655-L685 HydrophobicContact CB-CD2 4.48Å; Q655-L685 HydrophobicContact CB-CG 4.49Å; Q655-L685 HydrophobicContact CG-CB 4.44Å; Q655-L685 HydrophobicContact CG-CD2 4.32Å; Q655-E689 HydrophobicContact CG-CG 4.34Å; Q655-E689 WeakPolarHBondContact O-CG 3.27Å; Q655-H691 PolarHBondContact O-CD2 3.45Å; Q655-H691 PolarHBondContact O-NE2 3.06Å; Q655-H691 VanDerWaalsContact O-NE2 3.08Å
656E91.9Very high93.6Very high72 Ų7219 Ų1934%0.33611%0.107SC..THydrogen-bonded Turntrans-93.24.8-175.4-49.5-80171.100112.6K618 L652 H658K618-E656 WeakPolarHBondContact CE-OE1 3.35Å; K618-E656 HydrophobicContact CG-CG 3.86Å; K618-E656 WeakPolarHBondContact CG-OE1 3.19Å; K618-E656 IonicContact NZ-OE1 3.3Å; L652-E656 VanDerWaalsContact O-CG 3.29Å; L652-E656 WeakPolarHBondContact O-CG 3.28Å; L652-E656 PolarHBondContact O-N 2.69Å; E656-H658 WeakPolarHBondContact CB-NE2 3.31Å; E656-H658 PolarHBondContact O-CE1 3.37Å; E656-H658 PolarHBondContact O-N 2.78Å; E656-H658 PolarHBondContact O-ND1 2.94Å
657G91Very high93.7Very high20 Ų2026.2 Ų26.221%0.20614%0.139CC..THydrogen-bonded Turntrans84.84.6170.400000116.9A653 T659 H691A653-G657 PolarHBondContact O-N 3.02Å; G657-T659 PolarHBondContact O-N 2.93Å; G657-H691 WeakPolarHBondContact CA-CD2 3.24Å; G657-H691 VanDerWaalsContact CA-NE2 3.28Å; G657-H691 WeakPolarHBondContact CA-NE2 3.29Å; G657-H691 PolarHBondContact N-CD2 2.8Å; G657-H691 PolarHBondContact N-NE2 2.83Å; G657-H691 VanDerWaalsContact N-NE2 3.16Å
658H94.4Very high93.6Very high37 Ų3728.3 Ų28.317%0.17115%0.149CC..  trans-74.880.8-168.7-57.4-35.2000113.2A617 K618 N620 A653 E656 D660 M661 V662A617-H658 PolarHBondContact O-CD2 2.85Å; K618-H658 PolarHBondContact O-CD2 3.02Å; K618-H658 PolarHBondContact O-NE2 2.96Å; N620-H658 HydrophobicContact CB-CB 4.39Å; N620-H658 VanDerWaalsContact CG-CG 3.49Å; N620-H658 PolarHBondContact ND2-ND1 2.72Å; A653-H658 PolarHBondContact O-N 2.86Å; E656-H658 WeakPolarHBondContact CB-NE2 3.31Å; E656-H658 PolarHBondContact O-CE1 3.37Å; E656-H658 PolarHBondContact O-N 2.78Å; E656-H658 PolarHBondContact O-ND1 2.94Å; H658-D660 PolarHBondContact O-N 3.38Å; H658-D660 VanDerWaalsContact O-N 3.1Å; H658-M661 HydrophobicContact CB-CB 3.67Å; H658-M661 PolarHBondContact O-N 3.13Å; H658-M661 VanDerWaalsContact O-N 3.12Å; H658-V662 WeakPolarHBondContact O-CB 3.06Å; H658-V662 WeakPolarHBondContact O-CG2 3.38Å; H658-V662 PolarHBondContact O-N 3.48Å
659T93.6Very high93.4Very high43 Ų4329.9 Ų29.926%0.26417%0.165SC..Hα-helixtrans-46.3-42.2-178.951.50000114.1G657 S663 V694 I697G657-T659 PolarHBondContact O-N 2.93Å; T659-S663 WeakPolarHBondContact O-CB 3.34Å; T659-S663 PolarHBondContact O-N 3.43Å; T659-S663 PolarHBondContact O-OG 2.8Å; T659-V694 HydrophobicContact CG2-CG2 4.26Å; T659-I697 HydrophobicContact CG2-CD1 4Å
660D93.7Very high93.4Very high95 Ų9530.1 Ų30.151%0.50817%0.167SC..Hα-helixtrans-81.9-34.7-171.5-63.311.1000110.3L622 H658 S663 L664L622-D660 HydrophobicContact CD1-CB 3.96Å; L622-D660 HydrophobicContact CD2-CB 4.01Å; H658-D660 PolarHBondContact O-N 3.38Å; H658-D660 VanDerWaalsContact O-N 3.1Å; D660-S663 PolarHBondContact O-N 2.77Å; D660-L664 VanDerWaalsContact O-CB 3.32Å; D660-L664 WeakPolarHBondContact O-CB 3.37Å; D660-L664 PolarHBondContact O-N 3.35Å
661M95.2Very high93.3Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-69.3-42.7173-173.767.267.600110.8A616 A617 L622 A625 A653 H658 S663 L664 L665A616-M661 WeakPolarHBondContact O-CE 3.31Å; A617-M661 HydrophobicContact CB-CG 4.03Å; A617-M661 HydrophobicContact CB-SD 4.21Å; L622-M661 HydrophobicContact CD2-CB 4.05Å; L622-M661 HydrophobicContact CD2-CE 3.86Å; L622-M661 HydrophobicContact CD2-SD 4.33Å; L622-M661 HydrophobicContact CG-CE 4.13Å; A625-M661 HydrophobicContact CB-CE 3.65Å; A625-M661 HydrophobicContact CB-SD 3.46Å; A625-M661 WeakPolarHBondContact CB-SD 3.14Å; A653-M661 HydrophobicContact CB-CB 4.01Å; A653-M661 HydrophobicContact CB-CG 3.62Å; H658-M661 HydrophobicContact CB-CB 3.67Å; H658-M661 PolarHBondContact O-N 3.13Å; H658-M661 VanDerWaalsContact O-N 3.12Å; M661-S663 VanDerWaalsContact C-N 3.31Å; M661-S663 PolarHBondContact O-N 3.22Å; M661-L664 PolarHBondContact O-N 3.44Å; M661-L664 HydrophobicContact SD-CD2 4.32Å; M661-L665 HydrophobicContact CG-CD1 3.97Å; M661-L665 WeakPolarHBondContact O-CB 3.36Å; M661-L665 WeakPolarHBondContact O-CD1 3.1Å; M661-L665 WeakPolarHBondContact O-CG 3.49Å; M661-L665 PolarHBondContact O-N 3.05Å; M661-L665 HydrophobicContact SD-CD1 4.46Å
662V95.1Very high93.3Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-56.2-48.1170166.70000109.8L650 A653 A654 H658 L665 L666 V694 I697 L698L650-V662 HydrophobicContact CD1-CB 4.28Å; L650-V662 HydrophobicContact CD1-CG1 3.99Å; L650-V662 HydrophobicContact CD1-CG2 4.21Å; A653-V662 HydrophobicContact CB-CG2 3.76Å; A653-V662 WeakPolarHBondContact O-CG2 3.47Å; A654-V662 HydrophobicContact CB-CG2 4.29Å; H658-V662 WeakPolarHBondContact O-CB 3.06Å; H658-V662 WeakPolarHBondContact O-CG2 3.38Å; H658-V662 PolarHBondContact O-N 3.48Å; V662-L665 PolarHBondContact O-N 2.86Å; V662-L666 HydrophobicContact CG1-CD1 3.67Å; V662-L666 HydrophobicContact CG1-CG 4.46Å; V662-L666 WeakPolarHBondContact O-CB 3.41Å; V662-L666 WeakPolarHBondContact O-CD1 3.46Å; V662-L666 WeakPolarHBondContact O-CG 3.23Å; V662-L666 PolarHBondContact O-N 3.08Å; V662-V694 HydrophobicContact CG1-CG1 4.41Å; V662-V694 HydrophobicContact CG2-CG1 4.11Å; V662-V694 HydrophobicContact CG2-CG2 4.36Å; V662-I697 HydrophobicContact CG1-CB 4.48Å; V662-I697 HydrophobicContact CG1-CG2 3.88Å; V662-L698 HydrophobicContact CG1-CD2 4.45Å
663S94.8Very high93.3Very high33 Ų3335.7 Ų35.723%0.23120%0.197CC..Hα-helixtrans-62.8-43.9178.9-62.40000112.8T659 D660 M661 Q667T659-S663 WeakPolarHBondContact O-CB 3.34Å; T659-S663 PolarHBondContact O-N 3.43Å; T659-S663 PolarHBondContact O-OG 2.8Å; D660-S663 PolarHBondContact O-N 2.77Å; M661-S663 VanDerWaalsContact C-N 3.31Å; M661-S663 PolarHBondContact O-N 3.22Å; S663-Q667 WeakPolarHBondContact O-CB 3.39Å; S663-Q667 WeakPolarHBondContact O-CG 3.21Å; S663-Q667 PolarHBondContact O-N 3.48Å; S663-Q667 PolarHBondContact O-NE2 2.85Å
664L93.8Very high93.2Very high21 Ų2138.1 Ų38.111%0.1121%0.209CC..Hα-helixtrans-61.1-49.2175.9178.569.3000111.4L622 A625 T626 L629 D660 M661 L666 Q667 H668L622-L664 HydrophobicContact CD2-CD2 4.47Å; A625-L664 HydrophobicContact CB-CD2 4.03Å; T626-L664 WeakPolarHBondContact OG1-CD2 3.03Å; L629-L664 HydrophobicContact CD1-CD2 4.09Å; L629-L664 HydrophobicContact CD1-CG 4Å; D660-L664 VanDerWaalsContact O-CB 3.32Å; D660-L664 WeakPolarHBondContact O-CB 3.37Å; D660-L664 PolarHBondContact O-N 3.35Å; M661-L664 PolarHBondContact O-N 3.44Å; M661-L664 HydrophobicContact SD-CD2 4.32Å; L664-L666 PolarHBondContact O-N 2.9Å; L664-Q667 PolarHBondContact O-N 3.33Å; L664-H668 PolarHBondContact O-CD2 2.76Å; L664-H668 VanDerWaalsContact O-CD2 3.29Å; L664-H668 PolarHBondContact O-N 3Å
665L94.2Very high93Very high0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-63.8-40-179.7-71.8167.4000112L613 A617 L629 A639 P649 L650 A653 M661 V662 H668 G669 A670L613-L665 HydrophobicContact CD1-CD2 4.44Å; L613-L665 HydrophobicContact CD2-CD2 4.16Å; L613-L665 HydrophobicContact CG-CD2 4.44Å; A617-L665 HydrophobicContact CB-CD1 4.18Å; L629-L665 HydrophobicContact CD1-CD2 4.34Å; A639-L665 HydrophobicContact CB-CD2 4.39Å; P649-L665 HydrophobicContact CB-CD1 3.87Å; P649-L665 HydrophobicContact CB-CD2 3.92Å; L650-L665 HydrophobicContact CB-CD1 4.41Å; L650-L665 HydrophobicContact CD1-CB 4.31Å; A653-L665 HydrophobicContact CB-CD1 3.94Å; M661-L665 HydrophobicContact CG-CD1 3.97Å; M661-L665 WeakPolarHBondContact O-CB 3.36Å; M661-L665 WeakPolarHBondContact O-CD1 3.1Å; M661-L665 WeakPolarHBondContact O-CG 3.49Å; M661-L665 PolarHBondContact O-N 3.05Å; M661-L665 HydrophobicContact SD-CD1 4.46Å; V662-L665 PolarHBondContact O-N 2.86Å; L665-H668 CarbonylContact O-C 3.52Å; L665-H668 PolarHBondContact O-N 2.84Å; L665-G669 PolarHBondContact O-N 3.41Å; L665-A670 HydrophobicContact CB-CB 4.06Å; L665-A670 WeakPolarHBondContact O-CB 3.4Å; L665-A670 PolarHBondContact O-N 3.37Å
666L93.6Very high92.9Very high31 Ų3141.2 Ų41.216%0.16222%0.224CC..Hα-helixtrans-66-40.7174.6-69.2166.8000111.9L650 V662 L664 H668 G669 P672 I697 L698 A701L650-L666 HydrophobicContact CD1-CD2 4.31Å; L650-L666 HydrophobicContact CD1-CG 4.12Å; L650-L666 HydrophobicContact CD2-CD2 3.75Å; L650-L666 HydrophobicContact CD2-CG 4.42Å; V662-L666 HydrophobicContact CG1-CD1 3.67Å; V662-L666 HydrophobicContact CG1-CG 4.46Å; V662-L666 WeakPolarHBondContact O-CB 3.41Å; V662-L666 WeakPolarHBondContact O-CD1 3.46Å; V662-L666 WeakPolarHBondContact O-CG 3.23Å; V662-L666 PolarHBondContact O-N 3.08Å; L664-L666 PolarHBondContact O-N 2.9Å; L666-H668 VanDerWaalsContact C-N 3.28Å; L666-H668 PolarHBondContact O-N 2.9Å; L666-G669 PolarHBondContact O-N 2.97Å; L666-P672 HydrophobicContact CD2-CB 3.88Å; L666-P672 HydrophobicContact CD2-CG 4.14Å; L666-I697 HydrophobicContact CD1-CG2 3.79Å; L666-L698 HydrophobicContact CD1-CD2 4.37Å; L666-A701 HydrophobicContact CD1-CB 3.88Å; L666-A701 HydrophobicContact CD2-CB 4.02Å; L666-A701 HydrophobicContact CG-CB 4.42Å
667Q91.1Very high92.7Very high157 Ų15743.8 Ų43.873%0.73423%0.234SC*.Hα-helixtrans-62.2-34.5174.2-74.6170.846.700112.5S663 L664 G669S663-Q667 WeakPolarHBondContact O-CB 3.39Å; S663-Q667 WeakPolarHBondContact O-CG 3.21Å; S663-Q667 PolarHBondContact O-N 3.48Å; S663-Q667 PolarHBondContact O-NE2 2.85Å; L664-Q667 PolarHBondContact O-N 3.33Å; Q667-G669 VanDerWaalsContact C-N 3.28Å; Q667-G669 PolarHBondContact O-N 3.16Å
668H90.2Very high92.3Very high46 Ų4644.2 Ų44.221%0.21323%0.231CC..THydrogen-bonded Turntrans-86.712.5172.9-72.5-74.4000114.4L629 Q635 L664 L665 L666L629-H668 HydrophobicContact CD1-CB 4.35Å; L629-H668 HydrophobicContact CD2-CB 4.12Å; Q635-H668 PolarHBondContact OE1-CE1 2.82Å; Q635-H668 PolarHBondContact OE1-ND1 3.34Å; L664-H668 PolarHBondContact O-CD2 2.76Å; L664-H668 VanDerWaalsContact O-CD2 3.29Å; L664-H668 PolarHBondContact O-N 3Å; L665-H668 CarbonylContact O-C 3.52Å; L665-H668 PolarHBondContact O-N 2.84Å; L666-H668 VanDerWaalsContact C-N 3.28Å; L666-H668 PolarHBondContact O-N 2.9Å
669G89.9Confident92Very high33 Ų3342.6 Ų42.634%0.3423%0.225SC..THydrogen-bonded Turntrans88.122.3167.200000116.1N640 L665 L666 Q667N640-G669 PolarHBondContact ND2-O 3.48Å; L665-G669 PolarHBondContact O-N 3.41Å; L666-G669 PolarHBondContact O-N 2.97Å; Q667-G669 VanDerWaalsContact C-N 3.28Å; Q667-G669 PolarHBondContact O-N 3.16Å
670A93.2Very high91.9Very high5 Ų540.6 Ų40.64%0.04121%0.213CC..  trans-61.3135.7165.400000110.9A639 L650 L665 P672A639-A670 HydrophobicContact CB-CB 4.16Å; L650-A670 HydrophobicContact CB-CB 3.98Å; L650-A670 HydrophobicContact CD2-CB 3.75Å; L650-A670 HydrophobicContact CG-CB 4.36Å; L665-A670 HydrophobicContact CB-CB 4.06Å; L665-A670 WeakPolarHBondContact O-CB 3.4Å; L665-A670 PolarHBondContact O-N 3.37Å; A670-P672 VanDerWaalsContact O-CD 3.3Å; A670-P672 WeakPolarHBondContact O-CD 3.35Å
671D92.9Very high91.9Very high66 Ų6636.2 Ų36.235%0.35319%0.19SC..  trans-80.4113.7179.5173.316.5000111.1N640 N673 H674N640-D671 PolarHBondContact OD1-N 2.77Å; D671-N673 PolarHBondContact O-N 2.81Å; D671-N673 VanDerWaalsContact O-N 3.09Å; D671-N673 WeakPolarHBondContact OD1-CA 3.5Å; D671-N673 WeakPolarHBondContact OD1-CB 3Å; D671-N673 PolarHBondContact OD1-N 2.77Å; D671-H674 HydrophobicContact CB-CB 4.15Å; D671-H674 WeakPolarHBondContact O-CB 3.22Å; D671-H674 PolarHBondContact O-N 3.2Å; D671-H674 VanDerWaalsContact O-N 3.1Å; D671-H674 PolarHBondContact OD2-N 3.11Å
672P93.8Very high91.8Very high14 Ų1436.2 Ų36.29%0.09119%0.19CC..THydrogen-bonded Turntrans-66.6-9.3178.127.3-33.5000113.8L666 A670 L698 A701 A703L666-P672 HydrophobicContact CD2-CB 3.88Å; L666-P672 HydrophobicContact CD2-CG 4.14Å; A670-P672 VanDerWaalsContact O-CD 3.3Å; A670-P672 WeakPolarHBondContact O-CD 3.35Å; P672-L698 HydrophobicContact CB-CD2 3.88Å; P672-A701 HydrophobicContact CG-CB 4.35Å; P672-A703 HydrophobicContact CB-CB 4.13Å
673N93.5Very high91.8Very high38 Ų3836.4 Ų36.420%0.20319%0.191CC..THydrogen-bonded Turntrans-107.75.9176.6-61.5-90.4000113.3D671 Q675 G702 K704D671-N673 PolarHBondContact O-N 2.81Å; D671-N673 VanDerWaalsContact O-N 3.09Å; D671-N673 WeakPolarHBondContact OD1-CA 3.5Å; D671-N673 WeakPolarHBondContact OD1-CB 3Å; D671-N673 PolarHBondContact OD1-N 2.77Å; N673-Q675 PolarHBondContact O-N 3.38Å; N673-G702 PolarHBondContact ND2-O 3.42Å; N673-K704 WeakPolarHBondContact OD1-CD 3.44Å; N673-K704 VanDerWaalsContact OD1-CG 3.25Å; N673-K704 WeakPolarHBondContact OD1-CG 3.49Å; N673-K704 PolarHBondContact OD1-N 3.41Å
674H92.8Very high91.7Very high52 Ų5234.9 Ų34.924%0.24118%0.18CC..  trans-58.9135.8179.5-16195.4000110H651 D671 A681 P682H651-H674 PolarHBondContact CE1-O 2.75Å; H651-H674 VanDerWaalsContact CE1-O 3.28Å; H651-H674 PolarHBondContact NE2-O 2.65Å; D671-H674 HydrophobicContact CB-CB 4.15Å; D671-H674 WeakPolarHBondContact O-CB 3.22Å; D671-H674 PolarHBondContact O-N 3.2Å; D671-H674 VanDerWaalsContact O-N 3.1Å; D671-H674 PolarHBondContact OD2-N 3.11Å; H674-A681 WeakPolarHBondContact O-CA 3.4Å; H674-P682 WeakPolarHBondContact O-CD 3.46Å
675Q91.2Very high91.7Very high96 Ų9633.9 Ų33.945%0.44917%0.174SC..  trans-113.1127.3-179.9-71.3-170.7-67.900112.3N673 G679 L680 A681 L708N673-Q675 PolarHBondContact O-N 3.38Å; Q675-G679 PolarHBondContact NE2-O 3.45Å; Q675-L680 CarbonylContact C-O 3.53Å; Q675-L680 WeakPolarHBondContact CA-O 3.49Å; Q675-A681 HydrophobicContact CG-CB 4.3Å; Q675-L708 PolarHBondContact NE2-O 3.06Å
676S90Very high91.7Very high6 Ų633.9 Ų33.94%0.04217%0.174CC..  trans-74.7-179.2173.774.50000112G646 N678 G679 L680G646-S676 WeakPolarHBondContact O-CA 3.25Å; G646-S676 WeakPolarHBondContact O-CB 3.13Å; S676-N678 PolarHBondContact O-N 3.35Å; S676-N678 VanDerWaalsContact O-N 3.1Å; S676-N678 PolarHBondContact OG-OD1 3.13Å; S676-G679 PolarHBondContact O-N 3.3Å; S676-L680 PolarHBondContact N-O 3.47Å
677K88Confident91.6Very high126 Ų12632.4 Ų32.455%0.54817%0.167SC..THydrogen-bonded Turntrans-68.5-13.1-168.4-68.4175.5-173.4-179.80115.1R644 S645 R710R644-K677 PolarHBondContact O-NZ 2.71Å; S645-K677 WeakPolarHBondContact O-CB 3.39Å; S645-K677 VanDerWaalsContact O-CD 3.32Å; S645-K677 WeakPolarHBondContact O-CD 3.29Å; S645-K677 WeakPolarHBondContact O-CG 3.17Å; S645-K677 PolarHBondContact O-N 2.85Å; K677-R710 WeakPolarHBondContact O-CD 3.23Å; K677-R710 PolarHBondContact O-NE 2.77Å; K677-R710 VanDerWaalsContact O-NE 3.1Å; K677-R710 PolarHBondContact O-NH1 3.4Å; K677-R710 PolarHBondContact O-NH2 3.2Å
678N82.8Confident91.7Very high29 Ų2925.1 Ų25.116%0.15513%0.133CC..THydrogen-bonded Turntrans-96.1-7.4171.35620000112.9S676 L680 R710 F827S676-N678 PolarHBondContact O-N 3.35Å; S676-N678 VanDerWaalsContact O-N 3.1Å; S676-N678 PolarHBondContact OG-OD1 3.13Å; N678-L680 VanDerWaalsContact ND2-CD1 3.29Å; N678-L680 WeakPolarHBondContact ND2-CD1 3.17Å; N678-L680 WeakPolarHBondContact OD1-CB 3.48Å; N678-L680 VanDerWaalsContact OD1-CG 3.22Å; N678-L680 WeakPolarHBondContact OD1-CG 3.47Å; N678-L680 PolarHBondContact OD1-N 2.83Å; N678-R710 VanDerWaalsContact O-CB 3.26Å; N678-R710 WeakPolarHBondContact O-CB 3.4Å; N678-R710 WeakPolarHBondContact O-CG 3.46Å; N678-R710 PolarHBondContact O-N 3.25Å; N678-F827 PolarHBondContact ND2-O 3.48Å
679G88.1Confident91.7Very high4 Ų425.9 Ų25.94%0.04114%0.136CC..SBendtrans88.55.4-176.200000115.1Q675 S676Q675-G679 PolarHBondContact NE2-O 3.45Å; S676-G679 PolarHBondContact O-N 3.3Å
680L91.3Very high91.9Very high1 Ų125.9 Ų25.91%0.00513%0.129CC..  trans-57.7149.4164.2-67.6171.6000109.7F647 Q675 S676 N678 H684 L685 T709 M828F647-L680 HydrophobicContact CE2-CD1 3.94Å; F647-L680 HydrophobicContact CZ-CD1 3.7Å; Q675-L680 CarbonylContact C-O 3.53Å; Q675-L680 WeakPolarHBondContact CA-O 3.49Å; S676-L680 PolarHBondContact N-O 3.47Å; N678-L680 VanDerWaalsContact ND2-CD1 3.29Å; N678-L680 WeakPolarHBondContact ND2-CD1 3.17Å; N678-L680 WeakPolarHBondContact OD1-CB 3.48Å; N678-L680 VanDerWaalsContact OD1-CG 3.22Å; N678-L680 WeakPolarHBondContact OD1-CG 3.47Å; N678-L680 PolarHBondContact OD1-N 2.83Å; L680-H684 HydrophobicContact CD2-CB 3.64Å; L680-L685 HydrophobicContact CD1-CD2 4.08Å; L680-T709 HydrophobicContact CD2-CG2 4.13Å; L680-M828 WeakPolarHBondContact CD1-O 3.31Å; L680-M828 HydrophobicContact CD2-CB 4.35Å; L680-M828 HydrophobicContact CD2-CG 3.98Å; L680-M828 HydrophobicContact CD2-SD 3.87Å
681A93.3Very high92Very high3 Ų327.9 Ų27.93%0.02514%0.137CC..  trans-128.3164.7169.700000107.4H674 Q675 L683 H684H674-A681 WeakPolarHBondContact O-CA 3.4Å; Q675-A681 HydrophobicContact CG-CB 4.3Å; A681-L683 PolarHBondContact O-N 3.27Å; A681-H684 PolarHBondContact N-ND1 3.19Å; A681-H684 WeakPolarHBondContact O-CB 3.21Å; A681-H684 PolarHBondContact O-N 3.04Å
682P93.7Very high92Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-50.2-36.8-178.8-30.636.7000114.3L650 A654 H674 H684 L685 A686 L698L650-P682 HydrophobicContact CD2-CG 4Å; L650-P682 HydrophobicContact CG-CB 4.25Å; L650-P682 HydrophobicContact CG-CG 3.94Å; A654-P682 HydrophobicContact CB-CB 3.85Å; H674-P682 WeakPolarHBondContact O-CD 3.46Å; P682-H684 VanDerWaalsContact C-N 3.33Å; P682-H684 PolarHBondContact O-N 2.96Å; P682-L685 PolarHBondContact O-N 3.4Å; P682-A686 PolarHBondContact O-N 3.15Å; P682-L698 HydrophobicContact CB-CD1 3.86Å; P682-L698 HydrophobicContact CB-CD2 3.97Å
683L94.5Very high92Very high4 Ų428.1 Ų28.12%0.02114%0.143CC..Hα-helixtrans-67.7-26177-17362.8000114A681 A687 A695 L698 K704 P715A681-L683 PolarHBondContact O-N 3.27Å; L683-A687 WeakPolarHBondContact O-CB 3.23Å; L683-A687 PolarHBondContact O-N 3.04Å; L683-A695 HydrophobicContact CD1-CB 3.56Å; L683-L698 HydrophobicContact CB-CD1 4.25Å; L683-L698 HydrophobicContact CD1-CD1 4.43Å; L683-K704 WeakPolarHBondContact CD2-O 3.19Å; L683-P715 HydrophobicContact CB-CG 4.47Å; L683-P715 HydrophobicContact CD2-CB 4.48Å; L683-P715 HydrophobicContact CD2-CG 4.04Å; L683-P715 HydrophobicContact CG-CB 4.2Å; L683-P715 HydrophobicContact CG-CG 3.98Å
684H93.4Very high92.1Very high0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-70.3-36.5172.6-73.6102.5000111.6L680 A681 P682 A687 Q688 P707 Y713 P715L680-H684 HydrophobicContact CD2-CB 3.64Å; A681-H684 PolarHBondContact N-ND1 3.19Å; A681-H684 WeakPolarHBondContact O-CB 3.21Å; A681-H684 PolarHBondContact O-N 3.04Å; P682-H684 VanDerWaalsContact C-N 3.33Å; P682-H684 PolarHBondContact O-N 2.96Å; H684-A687 CarbonylContact O-C 3.52Å; H684-A687 PolarHBondContact O-N 2.9Å; H684-Q688 PolarHBondContact O-N 3.41Å; H684-P707 PolarHBondContact CE1-O 3.06Å; H684-P707 PolarHBondContact NE2-O 3.22Å; H684-Y713 PolarHBondContact NE2-O 2.83Å; H684-P715 WeakPolarHBondContact NE2-CD 3.36Å
685L93.2Very high92.1Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-73.8-44.6178.8-66.2167.8000110.8F647 H651 Q655 L680 P682 A687 Q688 E689F647-L685 HydrophobicContact CD1-CD1 4Å; F647-L685 HydrophobicContact CE1-CD1 3.43Å; F647-L685 VanDerWaalsContact CE1-CD1 3.43Å; F647-L685 HydrophobicContact CE1-CD2 3.95Å; F647-L685 HydrophobicContact CE1-CG 4.34Å; F647-L685 HydrophobicContact CZ-CD1 3.94Å; F647-L685 HydrophobicContact CZ-CD2 4Å; H651-L685 HydrophobicContact CB-CD1 3.69Å; H651-L685 WeakPolarHBondContact O-CD1 3.27Å; Q655-L685 HydrophobicContact CB-CB 3.97Å; Q655-L685 HydrophobicContact CB-CD1 4.32Å; Q655-L685 HydrophobicContact CB-CD2 4.48Å; Q655-L685 HydrophobicContact CB-CG 4.49Å; Q655-L685 HydrophobicContact CG-CB 4.44Å; Q655-L685 HydrophobicContact CG-CD2 4.32Å; L680-L685 HydrophobicContact CD1-CD2 4.08Å; P682-L685 PolarHBondContact O-N 3.4Å; L685-A687 PolarHBondContact O-N 3.43Å; L685-Q688 WeakPolarHBondContact O-CB 3.5Å; L685-Q688 PolarHBondContact O-N 3.4Å; L685-E689 PolarHBondContact O-N 2.92Å
686A94.1Very high92.2Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-57.9-32.8170.800000112.4A654 P682 D690 H691 V694 L698 M727A654-A686 WeakPolarHBondContact O-CA 3.45Å; A654-A686 PolarHBondContact O-N 3.34Å; P682-A686 PolarHBondContact O-N 3.15Å; A686-D690 PolarHBondContact O-N 2.54Å; A686-H691 HydrophobicContact CB-CB 4.22Å; A686-H691 PolarHBondContact O-N 2.85Å; A686-V694 HydrophobicContact CB-CB 4.18Å; A686-V694 HydrophobicContact CB-CG1 3.74Å; A686-L698 HydrophobicContact CB-CD1 4.38Å; A686-M727 WeakPolarHBondContact O-CE 3.33Å
687A93.3Very high92.4Very high0 Ų025.4 Ų25.40%013%0.129CC..THydrogen-bonded Turntrans-83.3-5.9174.500000115L683 H684 L685 P715 A719 M727L683-A687 WeakPolarHBondContact O-CB 3.23Å; L683-A687 PolarHBondContact O-N 3.04Å; H684-A687 CarbonylContact O-C 3.52Å; H684-A687 PolarHBondContact O-N 2.9Å; L685-A687 PolarHBondContact O-N 3.43Å; A687-P715 HydrophobicContact CB-CB 3.91Å; A687-A719 HydrophobicContact CB-CB 4.47Å; A687-A719 WeakPolarHBondContact O-CA 3.43Å; A687-A719 PolarHBondContact O-N 3.3Å; A687-M727 HydrophobicContact CB-CG 3.76Å; A687-M727 HydrophobicContact CB-SD 4.16Å
688Q91.7Very high92.7Very high5 Ų519.4 Ų19.42%0.02310%0.103CC..THydrogen-bonded Turntrans-82.8-39.6171.2-174.7170.8-78.800110.8H684 L685 T718 F722 Q724H684-Q688 PolarHBondContact O-N 3.41Å; L685-Q688 WeakPolarHBondContact O-CB 3.5Å; L685-Q688 PolarHBondContact O-N 3.4Å; Q688-T718 HydrophobicContact CB-CG2 3.92Å; Q688-F722 HydrophobicContact CB-CD2 4.35Å; Q688-F722 HydrophobicContact CB-CE2 4.48Å; Q688-F722 HydrophobicContact CG-CD1 4.46Å; Q688-F722 HydrophobicContact CG-CD2 3.68Å; Q688-F722 HydrophobicContact CG-CE1 4.41Å; Q688-F722 HydrophobicContact CG-CE2 3.6Å; Q688-F722 HydrophobicContact CG-CG 4.12Å; Q688-F722 HydrophobicContact CG-CZ 3.99Å; Q688-Q724 WeakPolarHBondContact O-CG 3.34Å; Q688-Q724 PolarHBondContact O-NE2 2.92Å
689E91.5Very high93.1Very high61 Ų6120.5 Ų20.529%0.28511%0.107SC..THydrogen-bonded Turntrans-109.224.4-172.8-38.6-57.8169.400113.2Q655 L685 H691Q655-E689 HydrophobicContact CG-CG 4.34Å; Q655-E689 WeakPolarHBondContact O-CG 3.27Å; L685-E689 PolarHBondContact O-N 2.92Å; E689-H691 VanDerWaalsContact C-N 3.26Å; E689-H691 PolarHBondContact O-CE1 3.08Å; E689-H691 PolarHBondContact O-N 3.15Å; E689-H691 VanDerWaalsContact O-N 3.12Å; E689-H691 PolarHBondContact O-ND1 3.02Å
690D93.3Very high93.3Very high33 Ų3325.3 Ų25.318%0.17614%0.14CC..THydrogen-bonded Turntrans53.825.1-179.3-152.333.4000116.9A686 V692 Q724 N726 M727A686-D690 PolarHBondContact O-N 2.54Å; D690-V692 VanDerWaalsContact C-N 3.27Å; D690-V692 PolarHBondContact O-N 3.45Å; D690-Q724 HydrophobicContact CB-CB 3.81Å; D690-Q724 HydrophobicContact CB-CG 4.04Å; D690-Q724 WeakPolarHBondContact OD1-CB 3.13Å; D690-N726 VanDerWaalsContact OD2-CB 3.3Å; D690-N726 WeakPolarHBondContact OD2-CB 3.35Å; D690-N726 PolarHBondContact OD2-ND2 3.33Å; D690-M727 WeakPolarHBondContact OD1-CB 3.41Å; D690-M727 PolarHBondContact OD1-N 3.27Å
691H95Very high93.3Very high47 Ų4727.5 Ų27.522%0.21816%0.158CC..  trans-76.468.2-175.5-62.9-16.7000113.4Q655 G657 A686 E689 S693 V694 A695 M727Q655-H691 PolarHBondContact O-CD2 3.45Å; Q655-H691 PolarHBondContact O-NE2 3.06Å; Q655-H691 VanDerWaalsContact O-NE2 3.08Å; G657-H691 WeakPolarHBondContact CA-CD2 3.24Å; G657-H691 VanDerWaalsContact CA-NE2 3.28Å; G657-H691 WeakPolarHBondContact CA-NE2 3.29Å; G657-H691 PolarHBondContact N-CD2 2.8Å; G657-H691 PolarHBondContact N-NE2 2.83Å; G657-H691 VanDerWaalsContact N-NE2 3.16Å; A686-H691 HydrophobicContact CB-CB 4.22Å; A686-H691 PolarHBondContact O-N 2.85Å; E689-H691 VanDerWaalsContact C-N 3.26Å; E689-H691 PolarHBondContact O-CE1 3.08Å; E689-H691 PolarHBondContact O-N 3.15Å; E689-H691 VanDerWaalsContact O-N 3.12Å; E689-H691 PolarHBondContact O-ND1 3.02Å; H691-S693 VanDerWaalsContact C-N 3.28Å; H691-S693 PolarHBondContact O-N 2.79Å; H691-V694 HydrophobicContact CB-CB 4.03Å; H691-V694 HydrophobicContact CB-CG2 4.19Å; H691-V694 PolarHBondContact O-N 3.13Å; H691-V694 VanDerWaalsContact O-N 3.14Å; H691-A695 PolarHBondContact O-N 3.44Å; H691-M727 VanDerWaalsContact C-CE 3.48Å
692V93.4Very high93.2Very high28 Ų2829.6 Ų29.617%0.1718%0.18CC..Hα-helixtrans-57.5-36.2-178.1175.90000112.6D690 A695 Q696 N726 M727 Y730D690-V692 VanDerWaalsContact C-N 3.27Å; D690-V692 PolarHBondContact O-N 3.45Å; V692-A695 PolarHBondContact O-N 2.94Å; V692-Q696 HydrophobicContact CG1-CG 4.5Å; V692-Q696 VanDerWaalsContact O-CG 3.31Å; V692-Q696 WeakPolarHBondContact O-CG 3.11Å; V692-Q696 PolarHBondContact O-N 3.01Å; V692-N726 HydrophobicContact CG2-CB 3.93Å; V692-M727 HydrophobicContact CB-CE 4.38Å; V692-M727 HydrophobicContact CG2-CB 4.42Å; V692-M727 HydrophobicContact CG2-CE 3.88Å; V692-Y730 HydrophobicContact CG1-CD1 4.28Å; V692-Y730 HydrophobicContact CG1-CD2 4.07Å; V692-Y730 HydrophobicContact CG1-CG 3.8Å
693S94.8Very high93.1Very high57 Ų5730 Ų3040%0.39918%0.183SC..Hα-helixtrans-61.5-47.4175.352.60000112.1H691 Q696 I697H691-S693 VanDerWaalsContact C-N 3.28Å; H691-S693 PolarHBondContact O-N 2.79Å; S693-Q696 PolarHBondContact O-N 3.02Å; S693-I697 WeakPolarHBondContact O-CG1 3.44Å; S693-I697 PolarHBondContact O-N 3.48Å
694V95Very high92.9Very high0 Ų036.1 Ų36.10%021%0.21CC..Hα-helixtrans-62.9-42.2174.1171.20000110.7A654 T659 V662 A686 H691 Q696 I697 L698A654-V694 HydrophobicContact CB-CG1 3.78Å; T659-V694 HydrophobicContact CG2-CG2 4.26Å; V662-V694 HydrophobicContact CG1-CG1 4.41Å; V662-V694 HydrophobicContact CG2-CG1 4.11Å; V662-V694 HydrophobicContact CG2-CG2 4.36Å; A686-V694 HydrophobicContact CB-CB 4.18Å; A686-V694 HydrophobicContact CB-CG1 3.74Å; H691-V694 HydrophobicContact CB-CB 4.03Å; H691-V694 HydrophobicContact CB-CG2 4.19Å; H691-V694 PolarHBondContact O-N 3.13Å; H691-V694 VanDerWaalsContact O-N 3.14Å; V694-Q696 VanDerWaalsContact C-N 3.33Å; V694-Q696 PolarHBondContact O-N 2.88Å; V694-I697 PolarHBondContact O-N 3.49Å; V694-L698 HydrophobicContact CG1-CD1 3.77Å; V694-L698 HydrophobicContact CG1-CG 4.16Å; V694-L698 WeakPolarHBondContact O-CB 3.48Å; V694-L698 VanDerWaalsContact O-CG 3.31Å; V694-L698 WeakPolarHBondContact O-CG 3.2Å; V694-L698 PolarHBondContact O-N 2.78Å
695A93.6Very high92.7Very high0 Ų037.1 Ų37.10%022%0.215CC..Hα-helixtrans-61.9-37.7176.600000112.9L683 H691 V692 K699 M727 Y730L683-A695 HydrophobicContact CD1-CB 3.56Å; H691-A695 PolarHBondContact O-N 3.44Å; V692-A695 PolarHBondContact O-N 2.94Å; A695-K699 WeakPolarHBondContact O-CB 3.46Å; A695-K699 PolarHBondContact O-N 3.42Å; A695-M727 HydrophobicContact CB-CE 3.76Å; A695-M727 HydrophobicContact CB-SD 3.78Å; A695-Y730 HydrophobicContact CB-CD1 4.24Å; A695-Y730 HydrophobicContact CB-CE1 3.95Å
696Q93.4Very high92.5Very high97 Ų9740.6 Ų40.645%0.45324%0.239SC..Hα-helixtrans-64.4-45.9173.1-73.4172.116.700112.1V692 S693 V694 K699 S700 Y730V692-Q696 HydrophobicContact CG1-CG 4.5Å; V692-Q696 VanDerWaalsContact O-CG 3.31Å; V692-Q696 WeakPolarHBondContact O-CG 3.11Å; V692-Q696 PolarHBondContact O-N 3.01Å; S693-Q696 PolarHBondContact O-N 3.02Å; V694-Q696 VanDerWaalsContact C-N 3.33Å; V694-Q696 PolarHBondContact O-N 2.88Å; Q696-K699 PolarHBondContact O-N 3.15Å; Q696-S700 PolarHBondContact O-N 3.24Å; Q696-Y730 HydrophobicContact CG-CD2 4.25Å; Q696-Y730 HydrophobicContact CG-CE1 4.24Å; Q696-Y730 HydrophobicContact CG-CE2 3.45Å; Q696-Y730 VanDerWaalsContact CG-CE2 3.45Å; Q696-Y730 VanDerWaalsContact CG-CZ 3.47Å; Q696-Y730 WeakPolarHBondContact CG-OH 3.48Å
697I93.9Very high92.2Very high38 Ų3841.4 Ų41.420%0.19525%0.245CC..Hα-helixtrans-61.7-49.8176.7-65163.4000110.2T659 V662 L666 S693 V694 K699 S700 A701T659-I697 HydrophobicContact CG2-CD1 4Å; V662-I697 HydrophobicContact CG1-CB 4.48Å; V662-I697 HydrophobicContact CG1-CG2 3.88Å; L666-I697 HydrophobicContact CD1-CG2 3.79Å; S693-I697 WeakPolarHBondContact O-CG1 3.44Å; S693-I697 PolarHBondContact O-N 3.48Å; V694-I697 PolarHBondContact O-N 3.49Å; I697-K699 PolarHBondContact O-N 2.73Å; I697-S700 PolarHBondContact O-N 3.32Å; I697-S700 VanDerWaalsContact O-N 3.1Å; I697-S700 PolarHBondContact O-OG 3.03Å; I697-A701 PolarHBondContact O-N 2.75Å
698L94.1Very high92.1Very high0 Ų045.2 Ų45.20%026%0.264CS..Hα-helixtrans-57.4-44.7176.4-74.4173.3000111.8L650 A654 V662 L666 P672 P682 L683 A686 V694 S700 A701 G702 A703L650-L698 HydrophobicContact CD1-CD2 4.44Å; L650-L698 HydrophobicContact CD2-CD2 4.43Å; A654-L698 HydrophobicContact CB-CD1 4.35Å; V662-L698 HydrophobicContact CG1-CD2 4.45Å; L666-L698 HydrophobicContact CD1-CD2 4.37Å; P672-L698 HydrophobicContact CB-CD2 3.88Å; P682-L698 HydrophobicContact CB-CD1 3.86Å; P682-L698 HydrophobicContact CB-CD2 3.97Å; L683-L698 HydrophobicContact CB-CD1 4.25Å; L683-L698 HydrophobicContact CD1-CD1 4.43Å; A686-L698 HydrophobicContact CB-CD1 4.38Å; V694-L698 HydrophobicContact CG1-CD1 3.77Å; V694-L698 HydrophobicContact CG1-CG 4.16Å; V694-L698 WeakPolarHBondContact O-CB 3.48Å; V694-L698 VanDerWaalsContact O-CG 3.31Å; V694-L698 WeakPolarHBondContact O-CG 3.2Å; V694-L698 PolarHBondContact O-N 2.78Å; L698-S700 PolarHBondContact O-N 3.01Å; L698-A701 PolarHBondContact O-N 3.29Å; L698-G702 PolarHBondContact O-N 2.9Å; L698-A703 HydrophobicContact CB-CB 3.89Å; L698-A703 WeakPolarHBondContact O-CB 3.46Å; L698-A703 PolarHBondContact O-N 2.64Å
699K91.6Very high92Very high52 Ų5245.7 Ų45.723%0.22627%0.268CS..Hα-helixtrans-59.8-45.4174.2179.9169.4-170.1169.50111.3A695 Q696 I697 A701 G702 I705 L734 D736A695-K699 WeakPolarHBondContact O-CB 3.46Å; A695-K699 PolarHBondContact O-N 3.42Å; Q696-K699 PolarHBondContact O-N 3.15Å; I697-K699 PolarHBondContact O-N 2.73Å; K699-A701 PolarHBondContact O-N 3.4Å; K699-G702 PolarHBondContact O-N 2.82Å; K699-I705 HydrophobicContact CB-CD1 4.26Å; K699-I705 HydrophobicContact CD-CD1 3.63Å; K699-I705 HydrophobicContact CG-CD1 3.85Å; K699-L734 HydrophobicContact CD-CD1 4.13Å; K699-L734 HydrophobicContact CD-CD2 4.13Å; K699-D736 IonicContact NZ-OD2 3.53Å
700S91.3Very high91.8Very high105 Ų10551.2 Ų51.273%0.73429%0.286SS*.Hα-helixtrans-62.2-30.8178.880.80000113.1Q696 I697 L698 G702Q696-S700 PolarHBondContact O-N 3.24Å; I697-S700 PolarHBondContact O-N 3.32Å; I697-S700 VanDerWaalsContact O-N 3.1Å; I697-S700 PolarHBondContact O-OG 3.03Å; L698-S700 PolarHBondContact O-N 3.01Å; S700-G702 VanDerWaalsContact C-N 3.31Å
701A91.1Very high91.3Very high47 Ų4750.6 Ų50.639%0.38829%0.285SS..THydrogen-bonded Turntrans-83.71.4175.500000114.3L666 P672 I697 L698 K699L666-A701 HydrophobicContact CD1-CB 3.88Å; L666-A701 HydrophobicContact CD2-CB 4.02Å; L666-A701 HydrophobicContact CG-CB 4.42Å; P672-A701 HydrophobicContact CG-CB 4.35Å; I697-A701 PolarHBondContact O-N 2.75Å; L698-A701 PolarHBondContact O-N 3.29Å; K699-A701 PolarHBondContact O-N 3.4Å
702G90.9Very high91Very high47 Ų4748.7 Ų48.749%0.48528%0.279SS..THydrogen-bonded Turntrans90.925.917700000115.3N673 L698 K699 S700N673-G702 PolarHBondContact ND2-O 3.42Å; L698-G702 PolarHBondContact O-N 2.9Å; K699-G702 PolarHBondContact O-N 2.82Å; S700-G702 VanDerWaalsContact C-N 3.31Å
703A91.9Very high90.8Very high9 Ų947.6 Ų47.67%0.07427%0.272CS..  trans-60.3134.416300000110.7P672 L698P672-A703 HydrophobicContact CB-CB 4.13Å; L698-A703 HydrophobicContact CB-CB 3.89Å; L698-A703 WeakPolarHBondContact O-CB 3.46Å; L698-A703 PolarHBondContact O-N 2.64Å
704K90.6Very high90.7Very high133 Ų13345 Ų4558%0.57825%0.254SS*.  trans-63.7144.7165.9-67.9157.8-168.6164.60109.3N673 L683 P707N673-K704 WeakPolarHBondContact OD1-CD 3.44Å; N673-K704 VanDerWaalsContact OD1-CG 3.25Å; N673-K704 WeakPolarHBondContact OD1-CG 3.49Å; N673-K704 PolarHBondContact OD1-N 3.41Å; L683-K704 WeakPolarHBondContact CD2-O 3.19Å; K704-P707 VanDerWaalsContact O-CD 3.25Å; K704-P707 WeakPolarHBondContact O-CD 3.26Å
705I90.3Very high90.5Very high20 Ų2045 Ų4510%0.10325%0.254CS..SBendtrans-81.8-31.7178.9-51.6-50.1000112K699 P707 L731 L734 P738K699-I705 HydrophobicContact CB-CD1 4.26Å; K699-I705 HydrophobicContact CD-CD1 3.63Å; K699-I705 HydrophobicContact CG-CD1 3.85Å; I705-P707 WeakPolarHBondContact O-CD 3.48Å; I705-L731 HydrophobicContact CG2-CD2 4.02Å; I705-L734 HydrophobicContact CD1-CD1 3.86Å; I705-L734 HydrophobicContact CG1-CD1 4.04Å; I705-L734 HydrophobicContact CG2-CD1 3.64Å; I705-P738 HydrophobicContact CG2-CG 4.46Å
706S87.2Confident90.6Very high73 Ų7345.1 Ų45.151%0.5125%0.254SS..SBendtrans-120.848.6-179.151.30000114.1
707P89.1Confident90.6Very high18 Ų1840.5 Ų40.512%0.11723%0.233CC..  trans-60.7151.1164.630.9-33.8000108.8H684 K704 I705 S714 P715H684-P707 PolarHBondContact CE1-O 3.06Å; H684-P707 PolarHBondContact NE2-O 3.22Å; K704-P707 VanDerWaalsContact O-CD 3.25Å; K704-P707 WeakPolarHBondContact O-CD 3.26Å; I705-P707 WeakPolarHBondContact O-CD 3.48Å; P707-S714 WeakPolarHBondContact O-CA 3.26Å; P707-P715 HydrophobicContact CG-CG 3.97Å
708L90.7Very high90.5Very high79 Ų7938.7 Ų38.741%0.41422%0.223SC..  trans-116.3133.9179.8-61.5179.1000111Q675 Y713Q675-L708 PolarHBondContact NE2-O 3.06Å; L708-Y713 CarbonylContact C-O 3.58Å; L708-Y713 VanDerWaalsContact CA-O 3.29Å; L708-Y713 WeakPolarHBondContact CA-O 2.86Å
709T89.7Confident90.5Very high16 Ų1638.7 Ų38.710%0.09822%0.223CC..  trans-68171.2168.8730000111.1L680 A711 G712 Y713L680-T709 HydrophobicContact CD2-CG2 4.13Å; T709-A711 PolarHBondContact O-N 2.92Å; T709-A711 VanDerWaalsContact O-N 3.11Å; T709-A711 PolarHBondContact OG1-N 2.81Å; T709-G712 PolarHBondContact O-N 3.48Å; T709-G712 PolarHBondContact OG1-N 2.71Å; T709-Y713 PolarHBondContact N-O 3.31Å; T709-Y713 PolarHBondContact OG1-N 2.93Å
710R86.3Confident90.6Very high176 Ų17636.2 Ų36.266%0.66421%0.213SC*.THydrogen-bonded Turntrans-63.8-14.1175-71.1-176.7-179.7-173.54.5114.3K677 N678 Q745K677-R710 WeakPolarHBondContact O-CD 3.23Å; K677-R710 PolarHBondContact O-NE 2.77Å; K677-R710 VanDerWaalsContact O-NE 3.1Å; K677-R710 PolarHBondContact O-NH1 3.4Å; K677-R710 PolarHBondContact O-NH2 3.2Å; N678-R710 VanDerWaalsContact O-CB 3.26Å; N678-R710 WeakPolarHBondContact O-CB 3.4Å; N678-R710 WeakPolarHBondContact O-CG 3.46Å; N678-R710 PolarHBondContact O-N 3.25Å; R710-Q745 PolarHBondContact O-NE2 3.29Å; R710-Q745 PolarHBondContact O-OE1 2.93Å
711A83.7Confident90.6Very high20 Ų2031.6 Ų31.617%0.16518%0.179CC..THydrogen-bonded Turntrans-97.7-1.1171.800000113.3T709 Y713 Q745T709-A711 PolarHBondContact O-N 2.92Å; T709-A711 VanDerWaalsContact O-N 3.11Å; T709-A711 PolarHBondContact OG1-N 2.81Å; A711-Y713 HydrophobicContact CB-CD2 3.81Å; A711-Y713 HydrophobicContact CB-CE2 3.94Å; A711-Q745 VanDerWaalsContact O-CB 3.3Å; A711-Q745 WeakPolarHBondContact O-CB 3.44Å; A711-Q745 VanDerWaalsContact O-CG 3.28Å; A711-Q745 WeakPolarHBondContact O-CG 3.16Å; A711-Q745 PolarHBondContact O-N 3.47Å; A711-Q745 VanDerWaalsContact O-N 3.09Å
712G87.7Confident90.6Very high8 Ų830.9 Ų30.98%0.08217%0.167CC..  trans82.414.3179.300000115.4T709T709-G712 PolarHBondContact O-N 3.48Å; T709-G712 PolarHBondContact OG1-N 2.71Å
713Y89.5Confident90.6Very high5 Ų529.4 Ų29.42%0.0215%0.152CC..  trans-71.2143.4168.2-70.3-120.7000108.8H684 L708 T709 A711 H717 T744 L753 E823 P825 M828H684-Y713 PolarHBondContact NE2-O 2.83Å; L708-Y713 CarbonylContact C-O 3.58Å; L708-Y713 VanDerWaalsContact CA-O 3.29Å; L708-Y713 WeakPolarHBondContact CA-O 2.86Å; T709-Y713 PolarHBondContact N-O 3.31Å; T709-Y713 PolarHBondContact OG1-N 2.93Å; A711-Y713 HydrophobicContact CB-CD2 3.81Å; A711-Y713 HydrophobicContact CB-CE2 3.94Å; Y713-H717 HydrophobicContact CD1-CB 3.86Å; Y713-H717 HydrophobicContact CG-CB 4.27Å; Y713-T744 HydrophobicContact CD2-CG2 4.24Å; Y713-T744 HydrophobicContact CE2-CG2 4.3Å; Y713-T744 HydrophobicContact CG-CG2 4.46Å; Y713-L753 HydrophobicContact CD1-CD1 4.21Å; Y713-L753 HydrophobicContact CE1-CD1 3.87Å; Y713-E823 HydrophobicContact CE2-CG 4.25Å; Y713-E823 VanDerWaalsContact OH-CG 3.26Å; Y713-E823 WeakPolarHBondContact OH-CG 3.24Å; Y713-E823 PolarHBondContact OH-O 3.03Å; Y713-P825 HydrophobicContact CE1-CB 4.43Å; Y713-M828 HydrophobicContact CD1-CE 3.83Å; Y713-M828 HydrophobicContact CE1-CE 4.07Å
714S92.8Very high90.7Very high3 Ų329.9 Ų29.92%0.02115%0.153CC..  trans-108170.1165.269.20000110.3P707 L716 H717 T718P707-S714 WeakPolarHBondContact O-CA 3.26Å; S714-L716 PolarHBondContact O-N 3.04Å; S714-L716 VanDerWaalsContact O-N 3.13Å; S714-H717 PolarHBondContact N-ND1 2.83Å; S714-H717 WeakPolarHBondContact O-CA 3.24Å; S714-H717 WeakPolarHBondContact O-CB 3.22Å; S714-H717 PolarHBondContact O-N 3.16Å; S714-H717 PolarHBondContact OG-ND1 3.45Å; S714-T718 PolarHBondContact O-N 3.03Å; S714-T718 PolarHBondContact O-OG1 2.74Å
715P92.3Very high90.8Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-55.2-31.7175.8-28.537.3000113.9L683 H684 A687 P707 T718 A719 L731L683-P715 HydrophobicContact CB-CG 4.47Å; L683-P715 HydrophobicContact CD2-CB 4.48Å; L683-P715 HydrophobicContact CD2-CG 4.04Å; L683-P715 HydrophobicContact CG-CB 4.2Å; L683-P715 HydrophobicContact CG-CG 3.98Å; H684-P715 WeakPolarHBondContact NE2-CD 3.36Å; A687-P715 HydrophobicContact CB-CB 3.91Å; P707-P715 HydrophobicContact CG-CG 3.97Å; P715-T718 PolarHBondContact O-N 3.38Å; P715-A719 WeakPolarHBondContact O-CB 3.27Å; P715-A719 PolarHBondContact O-N 2.99Å; P715-L731 HydrophobicContact CB-CD1 4.15Å
716L94.1Very high90.9Very high2 Ų227.6 Ų27.61%0.0115%0.147CC..Hα-helixtrans-66.4-38.1172-177.766.2000112.3S714 C720 V728 L731 L732 P738 P750S714-L716 PolarHBondContact O-N 3.04Å; S714-L716 VanDerWaalsContact O-N 3.13Å; L716-C720 VanDerWaalsContact O-CB 3.24Å; L716-C720 WeakPolarHBondContact O-CB 3.2Å; L716-C720 PolarHBondContact O-N 2.8Å; L716-C720 PolarHBondContact O-SG 3.39Å; L716-V728 HydrophobicContact CD1-CG1 4.12Å; L716-V728 HydrophobicContact CD1-CG2 4.33Å; L716-L731 HydrophobicContact CB-CD1 4.31Å; L716-L732 HydrophobicContact CD1-CD2 4.42Å; L716-L732 HydrophobicContact CD1-CG 4.32Å; L716-L732 HydrophobicContact CD2-CD2 4.05Å; L716-P738 HydrophobicContact CB-CG 4.12Å; L716-P738 HydrophobicContact CD2-CB 4.46Å; L716-P738 HydrophobicContact CD2-CG 3.99Å; L716-P750 HydrophobicContact CD2-CB 4.25Å; L716-P750 HydrophobicContact CD2-CG 3.78Å; L716-P750 HydrophobicContact CG-CB 4.14Å; L716-P750 HydrophobicContact CG-CG 3.94Å
717H93.6Very high91.3Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-66-39.3173.7-69.778.6000111.4Y713 S714 H721 Q742 T744 L753Y713-H717 HydrophobicContact CD1-CB 3.86Å; Y713-H717 HydrophobicContact CG-CB 4.27Å; S714-H717 PolarHBondContact N-ND1 2.83Å; S714-H717 WeakPolarHBondContact O-CA 3.24Å; S714-H717 WeakPolarHBondContact O-CB 3.22Å; S714-H717 PolarHBondContact O-N 3.16Å; S714-H717 PolarHBondContact OG-ND1 3.45Å; H717-H721 VanDerWaalsContact O-CB 3.28Å; H717-H721 WeakPolarHBondContact O-CB 3.2Å; H717-H721 PolarHBondContact O-N 3.23Å; H717-Q742 PolarHBondContact CE1-O 3.47Å; H717-Q742 PolarHBondContact NE2-O 3Å; H717-T744 WeakPolarHBondContact CD2-CG2 3.14Å; H717-L753 HydrophobicContact CB-CD1 3.86Å
718T92Very high91.5Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-63.3-52.9175.4-57.30000110.9Q688 S714 P715 C720 H721 F722 M828Q688-T718 HydrophobicContact CB-CG2 3.92Å; S714-T718 PolarHBondContact O-N 3.03Å; S714-T718 PolarHBondContact O-OG1 2.74Å; P715-T718 PolarHBondContact O-N 3.38Å; T718-C720 PolarHBondContact O-N 2.92Å; T718-H721 WeakPolarHBondContact O-CB 3.45Å; T718-H721 PolarHBondContact O-N 3.48Å; T718-F722 HydrophobicContact CG2-CD2 3.83Å; T718-F722 HydrophobicContact CG2-CE2 4Å; T718-F722 WeakPolarHBondContact O-CD2 3.32Å; T718-F722 PolarHBondContact O-N 3.04Å; T718-M828 HydrophobicContact CG2-CE 3.97Å; T718-M828 HydrophobicContact CG2-SD 4.06Å; T718-M828 PolarHBondContact OG1-SD 3.19Å
719A93.8Very high91.6Very high0 Ų024.5 Ų24.50%012%0.116CC..Hα-helixtrans-59.3-44.8178.300000112.2A687 P715 H721 F722 G723 Q724 M727 V728A687-A719 HydrophobicContact CB-CB 4.47Å; A687-A719 WeakPolarHBondContact O-CA 3.43Å; A687-A719 PolarHBondContact O-N 3.3Å; P715-A719 WeakPolarHBondContact O-CB 3.27Å; P715-A719 PolarHBondContact O-N 2.99Å; A719-H721 VanDerWaalsContact C-N 3.29Å; A719-H721 PolarHBondContact O-N 3.38Å; A719-F722 PolarHBondContact O-N 2.68Å; A719-G723 PolarHBondContact O-N 3.17Å; A719-Q724 HydrophobicContact CB-CB 4.27Å; A719-Q724 PolarHBondContact O-N 2.72Å; A719-M727 HydrophobicContact CB-CB 4Å; A719-M727 HydrophobicContact CB-CG 3.81Å; A719-V728 HydrophobicContact CB-CG2 3.73Å
720C93.9Very high91.8Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-69.4-20.2175.8-69.10000114.3L716 T718 V728 P750 A754 H759 V762L716-C720 VanDerWaalsContact O-CB 3.24Å; L716-C720 WeakPolarHBondContact O-CB 3.2Å; L716-C720 PolarHBondContact O-N 2.8Å; L716-C720 PolarHBondContact O-SG 3.39Å; T718-C720 PolarHBondContact O-N 2.92Å; C720-V728 WeakPolarHBondContact SG-CG2 2.84Å; C720-P750 HydrophobicContact CB-CB 3.98Å; C720-A754 HydrophobicContact CB-CB 4.35Å; C720-A754 VanDerWaalsContact O-CA 3.28Å; C720-A754 WeakPolarHBondContact O-CA 3.16Å; C720-A754 PolarHBondContact O-N 3.11Å; C720-H759 PolarHBondContact O-CD2 3.36Å; C720-V762 HydrophobicContact CB-CG1 4.27Å
721H91.9Very high92.1Very high7 Ų717.3 Ų17.33%0.0329%0.088CC..Hα-helixtrans-80.2-44.9172.1-174.5-68.5000111.4H717 T718 A719 Q757 H759 P825 F881H717-H721 VanDerWaalsContact O-CB 3.28Å; H717-H721 WeakPolarHBondContact O-CB 3.2Å; H717-H721 PolarHBondContact O-N 3.23Å; T718-H721 WeakPolarHBondContact O-CB 3.45Å; T718-H721 PolarHBondContact O-N 3.48Å; A719-H721 VanDerWaalsContact C-N 3.29Å; A719-H721 PolarHBondContact O-N 3.38Å; H721-Q757 WeakPolarHBondContact O-CG 3.27Å; H721-H759 PolarHBondContact O-CD2 2.88Å; H721-H759 PolarHBondContact O-NE2 3.27Å; H721-P825 WeakPolarHBondContact NE2-CD 3.42Å; H721-F881 AromaticContact CE1-CE1 3.93Å; H721-F881 AromaticContact NE2-CE1 3.42Å; H721-F881 WeakPolarHBondContact NE2-CE1 3.18Å; H721-F881 AromaticContact NE2-CZ 3.53Å
722F91.6Very high92.5Very high32 Ų3217.5 Ų17.514%0.149%0.086CC..Hα-helixtrans-81.1-16.4-178.9-70.6-75.2000113.5Q688 T718 A719 Q724 H759 P825 M828 F885Q688-F722 HydrophobicContact CB-CD2 4.35Å; Q688-F722 HydrophobicContact CB-CE2 4.48Å; Q688-F722 HydrophobicContact CG-CD1 4.46Å; Q688-F722 HydrophobicContact CG-CD2 3.68Å; Q688-F722 HydrophobicContact CG-CE1 4.41Å; Q688-F722 HydrophobicContact CG-CE2 3.6Å; Q688-F722 HydrophobicContact CG-CG 4.12Å; Q688-F722 HydrophobicContact CG-CZ 3.99Å; T718-F722 HydrophobicContact CG2-CD2 3.83Å; T718-F722 HydrophobicContact CG2-CE2 4Å; T718-F722 WeakPolarHBondContact O-CD2 3.32Å; T718-F722 PolarHBondContact O-N 3.04Å; A719-F722 PolarHBondContact O-N 2.68Å; F722-Q724 HydrophobicContact CB-CG 3.93Å; F722-H759 PolarHBondContact O-NE2 2.89Å; F722-P825 HydrophobicContact CZ-CG 4.41Å; F722-M828 HydrophobicContact CE2-CE 3.88Å; F722-F885 VanDerWaalsContact O-CE2 3.24Å; F722-F885 WeakPolarHBondContact O-CE2 3.4Å; F722-F885 WeakPolarHBondContact O-CZ 3.14Å
723G90.7Very high92.7Very high16 Ų1622.6 Ų22.617%0.16511%0.111CC..THydrogen-bonded Turntrans100.85.617500000114.1A719 I725 H759 V762A719-G723 PolarHBondContact O-N 3.17Å; G723-I725 PolarHBondContact O-N 3.11Å; G723-H759 VanDerWaalsContact CA-CD2 3.47Å; G723-H759 WeakPolarHBondContact CA-CD2 3.42Å; G723-H759 PolarHBondContact N-NE2 2.98Å; G723-V762 WeakPolarHBondContact O-CG2 3.23Å
724Q94.1Very high92.6Very high19 Ų1923.2 Ų23.29%0.08912%0.115CC..  trans-7083.4-166.3-52.1-52.425.500112.6Q688 D690 A719 F722 N726 M727 V728Q688-Q724 WeakPolarHBondContact O-CG 3.34Å; Q688-Q724 PolarHBondContact O-NE2 2.92Å; D690-Q724 HydrophobicContact CB-CB 3.81Å; D690-Q724 HydrophobicContact CB-CG 4.04Å; D690-Q724 WeakPolarHBondContact OD1-CB 3.13Å; A719-Q724 HydrophobicContact CB-CB 4.27Å; A719-Q724 PolarHBondContact O-N 2.72Å; F722-Q724 HydrophobicContact CB-CG 3.93Å; Q724-N726 VanDerWaalsContact C-N 3.33Å; Q724-N726 PolarHBondContact O-N 3.41Å; Q724-M727 HydrophobicContact CB-CB 4.17Å; Q724-M727 PolarHBondContact O-N 3.5Å; Q724-V728 WeakPolarHBondContact O-CG2 3.32Å; Q724-V728 PolarHBondContact O-N 3.33Å
725I91.8Very high92.2Very high29 Ų2929 Ų2915%0.14915%0.152CC..Hα-helixtrans-65.5-32.5-167.5-167.3171000113G723 V728 R729 Q761 V762 L765G723-I725 PolarHBondContact O-N 3.11Å; I725-V728 PolarHBondContact O-N 3.05Å; I725-R729 WeakPolarHBondContact O-CG 3.26Å; I725-R729 PolarHBondContact O-N 3.23Å; I725-Q761 HydrophobicContact CD1-CB 3.85Å; I725-V762 HydrophobicContact CB-CG2 4.37Å; I725-L765 HydrophobicContact CG1-CD2 4.06Å
726N93.5Very high91.8Very high77 Ų7734.5 Ų34.541%0.41218%0.182SC..Hα-helixtrans-75.6-37.4-179.1-51.9-60.5000110.7D690 V692 Q724 R729 Y730D690-N726 VanDerWaalsContact OD2-CB 3.3Å; D690-N726 WeakPolarHBondContact OD2-CB 3.35Å; D690-N726 PolarHBondContact OD2-ND2 3.33Å; V692-N726 HydrophobicContact CG2-CB 3.93Å; Q724-N726 VanDerWaalsContact C-N 3.33Å; Q724-N726 PolarHBondContact O-N 3.41Å; N726-R729 PolarHBondContact O-N 2.86Å; N726-Y730 VanDerWaalsContact O-CB 3.23Å; N726-Y730 WeakPolarHBondContact O-CB 3.34Å; N726-Y730 PolarHBondContact O-N 3.06Å
727M94.5Very high91.1Very high0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-63.8-42.1168.7-169.965.654.900112.1A686 A687 D690 H691 V692 A695 A719 Q724 Y730 L731A686-M727 WeakPolarHBondContact O-CE 3.33Å; A687-M727 HydrophobicContact CB-CG 3.76Å; A687-M727 HydrophobicContact CB-SD 4.16Å; D690-M727 WeakPolarHBondContact OD1-CB 3.41Å; D690-M727 PolarHBondContact OD1-N 3.27Å; H691-M727 VanDerWaalsContact C-CE 3.48Å; V692-M727 HydrophobicContact CB-CE 4.38Å; V692-M727 HydrophobicContact CG2-CB 4.42Å; V692-M727 HydrophobicContact CG2-CE 3.88Å; A695-M727 HydrophobicContact CB-CE 3.76Å; A695-M727 HydrophobicContact CB-SD 3.78Å; A719-M727 HydrophobicContact CB-CB 4Å; A719-M727 HydrophobicContact CB-CG 3.81Å; Q724-M727 HydrophobicContact CB-CB 4.17Å; Q724-M727 PolarHBondContact O-N 3.5Å; M727-Y730 PolarHBondContact O-N 2.8Å; M727-Y730 HydrophobicContact SD-CD1 4.25Å; M727-L731 HydrophobicContact CG-CD1 3.83Å; M727-L731 HydrophobicContact CG-CG 4.18Å; M727-L731 WeakPolarHBondContact O-CB 3.08Å; M727-L731 VanDerWaalsContact O-CG 3.24Å; M727-L731 WeakPolarHBondContact O-CG 3.2Å; M727-L731 PolarHBondContact O-N 3.12Å; M727-L731 HydrophobicContact SD-CD1 4.25Å; M727-L731 HydrophobicContact SD-CG 4.13Å
728V93.7Very high90.6Very high0 Ų037.4 Ų37.40%021%0.205CC..Hα-helixtrans-62-45.9176.2174.20000111L716 A719 C720 Q724 I725 L732 V762 L765 L766L716-V728 HydrophobicContact CD1-CG1 4.12Å; L716-V728 HydrophobicContact CD1-CG2 4.33Å; A719-V728 HydrophobicContact CB-CG2 3.73Å; C720-V728 WeakPolarHBondContact SG-CG2 2.84Å; Q724-V728 WeakPolarHBondContact O-CG2 3.32Å; Q724-V728 PolarHBondContact O-N 3.33Å; I725-V728 PolarHBondContact O-N 3.05Å; V728-L732 HydrophobicContact CG1-CD1 3.87Å; V728-L732 WeakPolarHBondContact O-CB 3.48Å; V728-L732 VanDerWaalsContact O-CG 3.3Å; V728-L732 WeakPolarHBondContact O-CG 3.04Å; V728-L732 PolarHBondContact O-N 2.8Å; V728-V762 HydrophobicContact CG1-CG1 4.4Å; V728-V762 HydrophobicContact CG2-CG1 4.19Å; V728-L765 HydrophobicContact CB-CD2 4.25Å; V728-L765 HydrophobicContact CG1-CD2 3.73Å; V728-L765 HydrophobicContact CG1-CG 4.48Å; V728-L766 HydrophobicContact CG1-CD2 4.4Å
729R93.5Very high90.4Very high105 Ų10541.9 Ų41.940%0.39623%0.229SC..Hα-helixtrans-57.5-56.7171.8-72.1175.7-179.8133.4-0.1110.8I725 N726 L731 L732 D733 L765I725-R729 WeakPolarHBondContact O-CG 3.26Å; I725-R729 PolarHBondContact O-N 3.23Å; N726-R729 PolarHBondContact O-N 2.86Å; R729-L731 VanDerWaalsContact C-N 3.31Å; R729-L731 PolarHBondContact O-N 3.47Å; R729-L732 PolarHBondContact O-N 2.98Å; R729-L732 VanDerWaalsContact O-N 3.09Å; R729-D733 WeakPolarHBondContact O-CB 3.39Å; R729-D733 PolarHBondContact O-N 2.79Å; R729-L765 HydrophobicContact CG-CD1 4.26Å; R729-L765 HydrophobicContact CG-CD2 3.57Å
730Y93.5Very high90.3Very high39 Ų3942.8 Ų42.815%0.15323%0.233CC..Hα-helixtrans-54.7-43.2-176.8174.1-107.5000112.9V692 A695 Q696 N726 M727 L734V692-Y730 HydrophobicContact CG1-CD1 4.28Å; V692-Y730 HydrophobicContact CG1-CD2 4.07Å; V692-Y730 HydrophobicContact CG1-CG 3.8Å; A695-Y730 HydrophobicContact CB-CD1 4.24Å; A695-Y730 HydrophobicContact CB-CE1 3.95Å; Q696-Y730 HydrophobicContact CG-CD2 4.25Å; Q696-Y730 HydrophobicContact CG-CE1 4.24Å; Q696-Y730 HydrophobicContact CG-CE2 3.45Å; Q696-Y730 VanDerWaalsContact CG-CE2 3.45Å; Q696-Y730 VanDerWaalsContact CG-CZ 3.47Å; Q696-Y730 WeakPolarHBondContact CG-OH 3.48Å; N726-Y730 VanDerWaalsContact O-CB 3.23Å; N726-Y730 WeakPolarHBondContact O-CB 3.34Å; N726-Y730 PolarHBondContact O-N 3.06Å; M727-Y730 PolarHBondContact O-N 2.8Å; M727-Y730 HydrophobicContact SD-CD1 4.25Å; Y730-L734 HydrophobicContact CD2-CD2 4.41Å; Y730-L734 HydrophobicContact CE1-CD2 4.3Å; Y730-L734 HydrophobicContact CE2-CD2 3.84Å; Y730-L734 WeakPolarHBondContact O-CD2 3.03Å; Y730-L734 WeakPolarHBondContact O-CG 3.28Å
731L92.9Very high90.1Very high1 Ų144.8 Ų44.81%0.00524%0.244CC..Hα-helixtrans-69.5-36.4179.8-72.3173.6000112.8I705 P715 L716 M727 R729 L734 P738I705-L731 HydrophobicContact CG2-CD2 4.02Å; P715-L731 HydrophobicContact CB-CD1 4.15Å; L716-L731 HydrophobicContact CB-CD1 4.31Å; M727-L731 HydrophobicContact CG-CD1 3.83Å; M727-L731 HydrophobicContact CG-CG 4.18Å; M727-L731 WeakPolarHBondContact O-CB 3.08Å; M727-L731 VanDerWaalsContact O-CG 3.24Å; M727-L731 WeakPolarHBondContact O-CG 3.2Å; M727-L731 PolarHBondContact O-N 3.12Å; M727-L731 HydrophobicContact SD-CD1 4.25Å; M727-L731 HydrophobicContact SD-CG 4.13Å; R729-L731 VanDerWaalsContact C-N 3.31Å; R729-L731 PolarHBondContact O-N 3.47Å; L731-L734 HydrophobicContact CD2-CD1 4.3Å; L731-L734 WeakPolarHBondContact O-CG 3.28Å; L731-P738 HydrophobicContact CB-CG 4.4Å; L731-P738 WeakPolarHBondContact O-CD 3.08Å
732L91.3Very high90.1Very high25 Ų2548.1 Ų48.113%0.13126%0.26CS..Hα-helixtrans-79.6-29.7179.8-67.5173.8000112.8L716 V728 R729 L734 I740 L766 M769L716-L732 HydrophobicContact CD1-CD2 4.42Å; L716-L732 HydrophobicContact CD1-CG 4.32Å; L716-L732 HydrophobicContact CD2-CD2 4.05Å; V728-L732 HydrophobicContact CG1-CD1 3.87Å; V728-L732 WeakPolarHBondContact O-CB 3.48Å; V728-L732 VanDerWaalsContact O-CG 3.3Å; V728-L732 WeakPolarHBondContact O-CG 3.04Å; V728-L732 PolarHBondContact O-N 2.8Å; R729-L732 PolarHBondContact O-N 2.98Å; R729-L732 VanDerWaalsContact O-N 3.09Å; L732-L734 PolarHBondContact O-N 3.46Å; L732-I740 HydrophobicContact CD1-CD1 4.22Å; L732-I740 HydrophobicContact CD2-CB 4.36Å; L732-I740 HydrophobicContact CD2-CD1 4.26Å; L732-I740 HydrophobicContact CD2-CG1 4.26Å; L732-L766 HydrophobicContact CD1-CD2 4.19Å; L732-M769 HydrophobicContact CD1-CB 4.25Å; L732-M769 HydrophobicContact CD1-CG 4.16Å
733D91Very high90Very high115 Ų11552.2 Ų52.262%0.61527%0.274SS*.THydrogen-bonded Turntrans-73.3-1.5175.2-71-30.8000113.5R729R729-D733 WeakPolarHBondContact O-CB 3.39Å; R729-D733 PolarHBondContact O-N 2.79Å
734L89Confident89.9Confident18 Ų1851.9 Ų51.99%0.09427%0.269CS..SBendtrans-75144.1179.6-58.7-177.8000112.2K699 I705 Y730 L731 L732 D736 A737K699-L734 HydrophobicContact CD-CD1 4.13Å; K699-L734 HydrophobicContact CD-CD2 4.13Å; I705-L734 HydrophobicContact CD1-CD1 3.86Å; I705-L734 HydrophobicContact CG1-CD1 4.04Å; I705-L734 HydrophobicContact CG2-CD1 3.64Å; Y730-L734 HydrophobicContact CD2-CD2 4.41Å; Y730-L734 HydrophobicContact CE1-CD2 4.3Å; Y730-L734 HydrophobicContact CE2-CD2 3.84Å; Y730-L734 WeakPolarHBondContact O-CD2 3.03Å; Y730-L734 WeakPolarHBondContact O-CG 3.28Å; L731-L734 HydrophobicContact CD2-CD1 4.3Å; L731-L734 WeakPolarHBondContact O-CG 3.28Å; L732-L734 PolarHBondContact O-N 3.46Å; L734-D736 PolarHBondContact O-N 3.36Å; L734-D736 VanDerWaalsContact O-N 3.16Å; L734-A737 WeakPolarHBondContact O-CB 3.08Å; L734-A737 PolarHBondContact O-N 3.21Å
735P83.2Confident89.5Confident124 Ų12456.8 Ų56.881%0.80529%0.292SS*.THydrogen-bonded Turntrans-57.2-31.5172.7-26.435000113.9
736D84Confident89Confident115 Ų11559.7 Ų59.762%0.61531%0.306SS*.THydrogen-bonded Turntrans-104.948.7175.6-41.3-77.2000110.1K699 L734K699-D736 IonicContact NZ-OD2 3.53Å; L734-D736 PolarHBondContact O-N 3.36Å; L734-D736 VanDerWaalsContact O-N 3.16Å
737A79.5Confident88.7Confident50 Ų5056.3 Ų56.341%0.41329%0.289SS..  trans-53.6138.8-176.600000111.9L734L734-A737 WeakPolarHBondContact O-CB 3.08Å; L734-A737 PolarHBondContact O-N 3.21Å
738P82.9Confident88.5Confident13 Ų1356.6 Ų56.68%0.08429%0.29CS..  trans-65.6144.7172.629.2-32.6000110.2I705 L716 L731 I740I705-P738 HydrophobicContact CG2-CG 4.46Å; L716-P738 HydrophobicContact CB-CG 4.12Å; L716-P738 HydrophobicContact CD2-CB 4.46Å; L716-P738 HydrophobicContact CD2-CG 3.99Å; L731-P738 HydrophobicContact CB-CG 4.4Å; L731-P738 WeakPolarHBondContact O-CD 3.08Å; P738-I740 PolarHBondContact O-N 3.28Å
739D88.2Confident88.5Confident94 Ų9456.6 Ų56.650%0.50329%0.29SS..  trans-59.4113.8175.7173.813000110.4N741 Q742D739-N741 PolarHBondContact O-N 3.49Å; D739-N741 VanDerWaalsContact O-N 3.15Å; D739-N741 WeakPolarHBondContact OD1-CA 3.17Å; D739-N741 PolarHBondContact OD1-N 3.13Å; D739-Q742 HydrophobicContact CB-CB 4.12Å; D739-Q742 WeakPolarHBondContact O-CB 2.83Å; D739-Q742 PolarHBondContact O-N 3.47Å; D739-Q742 PolarHBondContact OD2-N 2.89Å
740I91.2Very high88.5Confident19 Ų1951.6 Ų51.610%0.09727%0.272CS..THydrogen-bonded Turntrans-62.4-17.9-179.5-161172000112.8L732 P738 P750 L766 M769 A771L732-I740 HydrophobicContact CD1-CD1 4.22Å; L732-I740 HydrophobicContact CD2-CB 4.36Å; L732-I740 HydrophobicContact CD2-CD1 4.26Å; L732-I740 HydrophobicContact CD2-CG1 4.26Å; P738-I740 PolarHBondContact O-N 3.28Å; I740-P750 WeakPolarHBondContact O-CD 3.45Å; I740-L766 HydrophobicContact CD1-CD2 3.83Å; I740-L766 HydrophobicContact CG1-CD2 3.74Å; I740-M769 HydrophobicContact CD1-CB 3.74Å; I740-A771 HydrophobicContact CD1-CB 3.94Å; I740-A771 HydrophobicContact CG1-CB 4.01Å
741N90.5Very high88.5Confident42 Ų4249.7 Ų49.723%0.22526%0.264CS..THydrogen-bonded Turntrans-110.110.9176.3-60.9-65.4000113.2D739 D772D739-N741 PolarHBondContact O-N 3.49Å; D739-N741 VanDerWaalsContact O-N 3.15Å; D739-N741 WeakPolarHBondContact OD1-CA 3.17Å; D739-N741 PolarHBondContact OD1-N 3.13Å; N741-D772 PolarHBondContact OD1-N 3.43Å
742Q90.7Very high88.5Confident78 Ų7849.7 Ų49.736%0.36426%0.264SS..  trans-53.4146.9168.7176.758.563.500109.7H717 D739 T749 P750H717-Q742 PolarHBondContact CE1-O 3.47Å; H717-Q742 PolarHBondContact NE2-O 3Å; D739-Q742 HydrophobicContact CB-CB 4.12Å; D739-Q742 WeakPolarHBondContact O-CB 2.83Å; D739-Q742 PolarHBondContact O-N 3.47Å; D739-Q742 PolarHBondContact OD2-N 2.89Å; Q742-T749 WeakPolarHBondContact O-CA 3.13Å; Q742-P750 WeakPolarHBondContact O-CD 3.34Å
743R90.3Very high88.5Confident118 Ų11848.5 Ų48.545%0.44526%0.258SS..  trans-116145.9-176.8-57-175.2-164.8-159.35.7113.4F748 T749 R776R743-F748 CarbonylContact C-O 2.97Å; R743-F748 VanDerWaalsContact CA-O 3.22Å; R743-F748 WeakPolarHBondContact CA-O 3.19Å; R743-T749 HydrophobicContact CG-CG2 3.94Å; R743-R776 PolarHBondContact NH1-O 2.86Å
744T89.3Confident88.6Confident8 Ų843 Ų435%0.04923%0.228CC..  trans-68.2175.3165.167.10000111.9Y713 H717 M746 G747 F748 L753 E823Y713-T744 HydrophobicContact CD2-CG2 4.24Å; Y713-T744 HydrophobicContact CE2-CG2 4.3Å; Y713-T744 HydrophobicContact CG-CG2 4.46Å; H717-T744 WeakPolarHBondContact CD2-CG2 3.14Å; T744-M746 PolarHBondContact O-N 3.28Å; T744-M746 PolarHBondContact OG1-N 3.26Å; T744-G747 PolarHBondContact O-N 3.36Å; T744-G747 PolarHBondContact OG1-N 2.96Å; T744-F748 HydrophobicContact CG2-CB 4.3Å; T744-F748 PolarHBondContact N-O 2.97Å; T744-F748 PolarHBondContact OG1-N 3.39Å; T744-F748 VanDerWaalsContact OG1-N 3.12Å; T744-L753 HydrophobicContact CG2-CD1 4.43Å; T744-E823 VanDerWaalsContact CB-OE1 3.31Å; T744-E823 WeakPolarHBondContact CB-OE1 3.23Å; T744-E823 VanDerWaalsContact CB-OE2 3.3Å; T744-E823 WeakPolarHBondContact CB-OE2 3.29Å; T744-E823 WeakPolarHBondContact CG2-OE2 3.39Å; T744-E823 VanDerWaalsContact OG1-CD 3.29Å; T744-E823 PolarHBondContact OG1-OE1 3.47Å; T744-E823 PolarHBondContact OG1-OE2 2.73Å
745Q85.4Confident88.8Confident122 Ų12242.1 Ų42.157%0.5722%0.224SC*.THydrogen-bonded Turntrans-65.2-22.1173.3-74.4175.818.100113.9R710 A711 G747 Q778R710-Q745 PolarHBondContact O-NE2 3.29Å; R710-Q745 PolarHBondContact O-OE1 2.93Å; A711-Q745 VanDerWaalsContact O-CB 3.3Å; A711-Q745 WeakPolarHBondContact O-CB 3.44Å; A711-Q745 VanDerWaalsContact O-CG 3.28Å; A711-Q745 WeakPolarHBondContact O-CG 3.16Å; A711-Q745 PolarHBondContact O-N 3.47Å; A711-Q745 VanDerWaalsContact O-N 3.09Å; Q745-G747 VanDerWaalsContact C-N 3.34Å; Q745-Q778 PolarHBondContact O-NE2 2.85Å
746M81.9Confident89.2Confident91 Ų9136.2 Ų36.245%0.44819%0.186SC..THydrogen-bonded Turntrans-89.31.5170.5-59.5-61-176.700113.3T744 F748 Q778 E823T744-M746 PolarHBondContact O-N 3.28Å; T744-M746 PolarHBondContact OG1-N 3.26Å; M746-F748 HydrophobicContact CB-CD2 3.79Å; M746-F748 HydrophobicContact CB-CE2 3.99Å; M746-Q778 WeakPolarHBondContact O-CB 3.33Å; M746-Q778 VanDerWaalsContact O-CG 3.26Å; M746-Q778 WeakPolarHBondContact O-CG 3.24Å; M746-Q778 PolarHBondContact O-N 2.7Å; M746-E823 HydrophobicContact CB-CG 4.19Å; M746-E823 HydrophobicContact CG-CG 3.85Å; M746-E823 WeakPolarHBondContact CG-OE1 3.4Å
747G87Confident89.5Confident6 Ų631.3 Ų31.36%0.06216%0.159CC..  trans849.9176.100000115.4T744 Q745T744-G747 PolarHBondContact O-N 3.36Å; T744-G747 PolarHBondContact OG1-N 2.96Å; Q745-G747 VanDerWaalsContact C-N 3.34Å
748F89.6Confident89.9Confident5 Ų529.9 Ų29.92%0.02215%0.149CC..  trans-74.6142175.3-73.6-117.2000109.7R743 T744 M746 H752 L753 N777 I786 M821 L822 E823R743-F748 CarbonylContact C-O 2.97Å; R743-F748 VanDerWaalsContact CA-O 3.22Å; R743-F748 WeakPolarHBondContact CA-O 3.19Å; T744-F748 HydrophobicContact CG2-CB 4.3Å; T744-F748 PolarHBondContact N-O 2.97Å; T744-F748 PolarHBondContact OG1-N 3.39Å; T744-F748 VanDerWaalsContact OG1-N 3.12Å; M746-F748 HydrophobicContact CB-CD2 3.79Å; M746-F748 HydrophobicContact CB-CE2 3.99Å; F748-H752 HydrophobicContact CB-CB 4.01Å; F748-H752 HydrophobicContact CD1-CB 3.63Å; F748-H752 HydrophobicContact CG-CB 4.18Å; F748-L753 HydrophobicContact CB-CD2 4.09Å; F748-L753 HydrophobicContact CB-CG 4.36Å; F748-L753 HydrophobicContact CD1-CD2 3.93Å; F748-L753 HydrophobicContact CG-CD2 4.29Å; F748-N777 HydrophobicContact CD2-CB 4.23Å; F748-N777 HydrophobicContact CE2-CB 4.33Å; F748-N777 VanDerWaalsContact CE2-ND2 3.34Å; F748-N777 WeakPolarHBondContact CE2-ND2 3.14Å; F748-N777 WeakPolarHBondContact CZ-ND2 3.31Å; F748-I786 HydrophobicContact CD1-CD1 4.29Å; F748-I786 HydrophobicContact CE1-CD1 3.71Å; F748-I786 HydrophobicContact CZ-CD1 4.47Å; F748-M821 WeakPolarHBondContact CZ-O 3.47Å; F748-L822 HydrophobicContact CE1-CD2 4.12Å; F748-L822 HydrophobicContact CZ-CD2 4.26Å; F748-E823 HydrophobicContact CD2-CB 4.49Å; F748-E823 WeakPolarHBondContact CD2-OE2 3.17Å; F748-E823 HydrophobicContact CE2-CB 4.5Å
749T93.4Very high90.4Very high0 Ų030.7 Ų30.70%015%0.152CC..  trans-97.5168.6168.6660000110.5Q742 R743 L751 H752 L753 V775Q742-T749 WeakPolarHBondContact O-CA 3.13Å; R743-T749 HydrophobicContact CG-CG2 3.94Å; T749-L751 PolarHBondContact O-N 2.79Å; T749-L751 VanDerWaalsContact O-N 3.16Å; T749-H752 PolarHBondContact N-ND1 2.96Å; T749-H752 WeakPolarHBondContact O-CA 3.33Å; T749-H752 WeakPolarHBondContact O-CB 3.22Å; T749-H752 PolarHBondContact O-N 3.43Å; T749-H752 PolarHBondContact OG1-N 2.85Å; T749-H752 PolarHBondContact OG1-ND1 3.26Å; T749-L753 PolarHBondContact O-N 2.84Å; T749-L753 VanDerWaalsContact O-N 3.1Å; T749-V775 HydrophobicContact CG2-CB 4.49Å; T749-V775 HydrophobicContact CG2-CG1 3.87Å
750P93Very high90.5Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-51.8-36.4171.6-28.136000113.2L716 C720 I740 Q742 L753 A754 L766L716-P750 HydrophobicContact CD2-CB 4.25Å; L716-P750 HydrophobicContact CD2-CG 3.78Å; L716-P750 HydrophobicContact CG-CB 4.14Å; L716-P750 HydrophobicContact CG-CG 3.94Å; C720-P750 HydrophobicContact CB-CB 3.98Å; I740-P750 WeakPolarHBondContact O-CD 3.45Å; Q742-P750 WeakPolarHBondContact O-CD 3.34Å; P750-L753 PolarHBondContact O-N 2.69Å; P750-A754 WeakPolarHBondContact O-CB 3.43Å; P750-A754 PolarHBondContact O-N 2.79Å; P750-L766 HydrophobicContact CB-CD1 4.36Å; P750-L766 HydrophobicContact CB-CD2 4.46Å
751L94.2Very high90.5Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-65.6-34.8174.3-176.563.7000113T749 T755 V763 L766 L767 A771 P783T749-L751 PolarHBondContact O-N 2.79Å; T749-L751 VanDerWaalsContact O-N 3.16Å; L751-T755 VanDerWaalsContact O-CB 3.24Å; L751-T755 WeakPolarHBondContact O-CB 3.33Å; L751-T755 PolarHBondContact O-N 2.95Å; L751-T755 PolarHBondContact O-OG1 3.09Å; L751-V763 HydrophobicContact CD1-CB 4.48Å; L751-V763 HydrophobicContact CD1-CG1 3.96Å; L751-V763 HydrophobicContact CD1-CG2 4.45Å; L751-L766 HydrophobicContact CB-CD1 4.22Å; L751-L766 HydrophobicContact CD1-CB 4.11Å; L751-L766 HydrophobicContact CD1-CD1 4.24Å; L751-L767 HydrophobicContact CD1-CD2 4.44Å; L751-L767 HydrophobicContact CD1-CG 4.33Å; L751-L767 HydrophobicContact CD2-CD2 4.05Å; L751-A771 HydrophobicContact CB-CB 4.2Å; L751-A771 HydrophobicContact CD2-CB 3.91Å; L751-A771 HydrophobicContact CG-CB 4.48Å; L751-P783 HydrophobicContact CD2-CB 4.43Å; L751-P783 HydrophobicContact CD2-CG 3.94Å; L751-P783 HydrophobicContact CG-CB 4.16Å; L751-P783 HydrophobicContact CG-CG 3.91Å
752H93.2Very high90.6Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-66.9-45.1172.7-69.671.2000111F748 T749 T755 Q756 V775 L781 I786F748-H752 HydrophobicContact CB-CB 4.01Å; F748-H752 HydrophobicContact CD1-CB 3.63Å; F748-H752 HydrophobicContact CG-CB 4.18Å; T749-H752 PolarHBondContact N-ND1 2.96Å; T749-H752 WeakPolarHBondContact O-CA 3.33Å; T749-H752 WeakPolarHBondContact O-CB 3.22Å; T749-H752 PolarHBondContact O-N 3.43Å; T749-H752 PolarHBondContact OG1-N 2.85Å; T749-H752 PolarHBondContact OG1-ND1 3.26Å; H752-T755 PolarHBondContact O-N 3.1Å; H752-Q756 WeakPolarHBondContact O-CB 3.35Å; H752-Q756 PolarHBondContact O-N 2.98Å; H752-V775 PolarHBondContact CE1-O 3.36Å; H752-V775 VanDerWaalsContact CE1-O 3.26Å; H752-V775 PolarHBondContact NE2-O 3.44Å; H752-L781 PolarHBondContact NE2-O 2.89Å; H752-I786 HydrophobicContact CB-CD1 4.25Å
753L91.9Very high90.7Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-67.5-44.1-178.2-62.9-178.4000112.5Y713 H717 T744 F748 T749 P750 T755 Q756 Q757Y713-L753 HydrophobicContact CD1-CD1 4.21Å; Y713-L753 HydrophobicContact CE1-CD1 3.87Å; H717-L753 HydrophobicContact CB-CD1 3.86Å; T744-L753 HydrophobicContact CG2-CD1 4.43Å; F748-L753 HydrophobicContact CB-CD2 4.09Å; F748-L753 HydrophobicContact CB-CG 4.36Å; F748-L753 HydrophobicContact CD1-CD2 3.93Å; F748-L753 HydrophobicContact CG-CD2 4.29Å; T749-L753 PolarHBondContact O-N 2.84Å; T749-L753 VanDerWaalsContact O-N 3.1Å; P750-L753 PolarHBondContact O-N 2.69Å; L753-T755 VanDerWaalsContact C-N 3.26Å; L753-T755 PolarHBondContact O-N 3.05Å; L753-Q756 VanDerWaalsContact O-CB 3.31Å; L753-Q756 WeakPolarHBondContact O-CB 2.93Å; L753-Q756 PolarHBondContact O-N 3.39Å; L753-Q756 VanDerWaalsContact O-N 3.08Å; L753-Q757 PolarHBondContact O-N 3.26Å
754A93.1Very high90.8Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-59.7-38.517400000111.9C720 P750 G758 H759 V762 V763 L766C720-A754 HydrophobicContact CB-CB 4.35Å; C720-A754 VanDerWaalsContact O-CA 3.28Å; C720-A754 WeakPolarHBondContact O-CA 3.16Å; C720-A754 PolarHBondContact O-N 3.11Å; P750-A754 WeakPolarHBondContact O-CB 3.43Å; P750-A754 PolarHBondContact O-N 2.79Å; A754-G758 PolarHBondContact O-N 2.89Å; A754-H759 HydrophobicContact CB-CB 4.38Å; A754-H759 PolarHBondContact O-N 3.5Å; A754-V762 HydrophobicContact CB-CB 4.24Å; A754-V762 HydrophobicContact CB-CG1 3.82Å; A754-V763 HydrophobicContact CB-CG2 3.82Å; A754-L766 HydrophobicContact CB-CD1 4.06Å
755T93.3Very high91Very high0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-70.7-31.7175.1-58.60000112.9L751 H752 L753 P783 I786 A787 Y792 I795 L799L751-T755 VanDerWaalsContact O-CB 3.24Å; L751-T755 WeakPolarHBondContact O-CB 3.33Å; L751-T755 PolarHBondContact O-N 2.95Å; L751-T755 PolarHBondContact O-OG1 3.09Å; H752-T755 PolarHBondContact O-N 3.1Å; L753-T755 VanDerWaalsContact C-N 3.26Å; L753-T755 PolarHBondContact O-N 3.05Å; T755-P783 HydrophobicContact CG2-CB 4.38Å; T755-P783 VanDerWaalsContact CG2-O 3.23Å; T755-P783 WeakPolarHBondContact CG2-O 3.36Å; T755-I786 HydrophobicContact CG2-CB 4.35Å; T755-I786 HydrophobicContact CG2-CG2 4.36Å; T755-A787 HydrophobicContact CG2-CB 3.61Å; T755-Y792 WeakPolarHBondContact O-CD2 3.45Å; T755-I795 HydrophobicContact CG2-CG2 3.83Å; T755-L799 HydrophobicContact CG2-CD1 3.86Å
756Q90Very high91.3Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-67.6-36.2179.3-169.3-173.8-73.800112.5H752 L753 I786 L822 N882H752-Q756 WeakPolarHBondContact O-CB 3.35Å; H752-Q756 PolarHBondContact O-N 2.98Å; L753-Q756 VanDerWaalsContact O-CB 3.31Å; L753-Q756 WeakPolarHBondContact O-CB 2.93Å; L753-Q756 PolarHBondContact O-N 3.39Å; L753-Q756 VanDerWaalsContact O-N 3.08Å; Q756-I786 HydrophobicContact CB-CG2 4.22Å; Q756-I786 HydrophobicContact CG-CG2 4.5Å; Q756-L822 HydrophobicContact CG-CB 4.22Å; Q756-L822 HydrophobicContact CG-CD1 3.55Å; Q756-L822 HydrophobicContact CG-CD2 3.75Å; Q756-L822 HydrophobicContact CG-CG 4.02Å; Q756-N882 PolarHBondContact O-ND2 2.93Å; Q756-N882 PolarHBondContact O-OD1 3.14Å
757Q90.5Very high91.8Very high11 Ų1118.5 Ų18.55%0.0519%0.093CC..Hα-helixtrans-95.7-9.5-177.2-59.2-47.4-73.300114.2H721 L753 H759 Y792 N882H721-Q757 WeakPolarHBondContact O-CG 3.27Å; L753-Q757 PolarHBondContact O-N 3.26Å; Q757-H759 WeakPolarHBondContact CB-NE2 3.38Å; Q757-Y792 PolarHBondContact O-OH 3.26Å; Q757-N882 PolarHBondContact NE2-OD1 3.14Å; Q757-N882 PolarHBondContact OE1-OD1 3.38Å
758G89.3Confident92Very high21 Ų2125.2 Ų25.222%0.21612%0.123CC..THydrogen-bonded Turntrans91.214.7178.100000115.4A754 S760 Y792 I795A754-G758 PolarHBondContact O-N 2.89Å; G758-S760 VanDerWaalsContact C-N 3.27Å; G758-S760 PolarHBondContact O-N 3.41Å; G758-Y792 VanDerWaalsContact CA-CE1 3.45Å; G758-Y792 PolarHBondContact N-OH 2.93Å; G758-I795 VanDerWaalsContact C-CD1 3.46Å; G758-I795 WeakPolarHBondContact O-CD1 3.32Å
759H92.4Very high91.9Very high30 Ų3029.3 Ų29.314%0.13914%0.143CC..  trans-75.571.6-173.3-64.3-40.3000112.7C720 H721 F722 G723 A754 Q757 Q761 V762 V763C720-H759 PolarHBondContact O-CD2 3.36Å; H721-H759 PolarHBondContact O-CD2 2.88Å; H721-H759 PolarHBondContact O-NE2 3.27Å; F722-H759 PolarHBondContact O-NE2 2.89Å; G723-H759 VanDerWaalsContact CA-CD2 3.47Å; G723-H759 WeakPolarHBondContact CA-CD2 3.42Å; G723-H759 PolarHBondContact N-NE2 2.98Å; A754-H759 HydrophobicContact CB-CB 4.38Å; A754-H759 PolarHBondContact O-N 3.5Å; Q757-H759 WeakPolarHBondContact CB-NE2 3.38Å; H759-Q761 VanDerWaalsContact C-N 3.29Å; H759-Q761 PolarHBondContact O-N 2.85Å; H759-V762 HydrophobicContact CB-CB 3.98Å; H759-V762 HydrophobicContact CB-CG2 4.11Å; H759-V762 PolarHBondContact O-N 3.14Å; H759-V763 PolarHBondContact O-N 2.87Å
760S90.6Very high91.7Very high34 Ų3431.7 Ų31.724%0.23817%0.169CC..Hα-helixtrans-59.8-33-169.572.30000114.4G758 R764G758-S760 VanDerWaalsContact C-N 3.27Å; G758-S760 PolarHBondContact O-N 3.41Å; S760-R764 WeakPolarHBondContact O-CG 3.29Å; S760-R764 PolarHBondContact O-N 3.08Å; S760-R764 VanDerWaalsContact O-N 3.17Å
761Q91.3Very high91.6Very high102 Ų10232.1 Ų32.148%0.47717%0.172SC..Hα-helixtrans-68.1-44.5174.5-57-163.431.700111.7I725 H759 V763 R764 L765I725-Q761 HydrophobicContact CD1-CB 3.85Å; H759-Q761 VanDerWaalsContact C-N 3.29Å; H759-Q761 PolarHBondContact O-N 2.85Å; Q761-V763 VanDerWaalsContact C-N 3.34Å; Q761-V763 PolarHBondContact O-N 3.47Å; Q761-R764 PolarHBondContact O-N 3.04Å; Q761-L765 PolarHBondContact O-N 3.11Å
762V92.9Very high91.4Very high3 Ų335.2 Ų35.22%0.01819%0.189CC..Hα-helixtrans-65-38.4177179.70000110.9C720 G723 I725 V728 A754 H759 L765 L766C720-V762 HydrophobicContact CB-CG1 4.27Å; G723-V762 WeakPolarHBondContact O-CG2 3.23Å; I725-V762 HydrophobicContact CB-CG2 4.37Å; V728-V762 HydrophobicContact CG1-CG1 4.4Å; V728-V762 HydrophobicContact CG2-CG1 4.19Å; A754-V762 HydrophobicContact CB-CB 4.24Å; A754-V762 HydrophobicContact CB-CG1 3.82Å; H759-V762 HydrophobicContact CB-CB 3.98Å; H759-V762 HydrophobicContact CB-CG2 4.11Å; H759-V762 PolarHBondContact O-N 3.14Å; V762-L765 PolarHBondContact O-N 2.84Å; V762-L766 HydrophobicContact CG1-CD1 3.97Å; V762-L766 HydrophobicContact CG1-CG 4.24Å; V762-L766 WeakPolarHBondContact O-CB 3.33Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.49Å; V762-L766 PolarHBondContact O-N 2.88Å
763V92.6Very high91.2Very high0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-61.3-43.7174.4171.50000111.8L751 A754 H759 Q761 L766 L767 I795 L799L751-V763 HydrophobicContact CD1-CB 4.48Å; L751-V763 HydrophobicContact CD1-CG1 3.96Å; L751-V763 HydrophobicContact CD1-CG2 4.45Å; A754-V763 HydrophobicContact CB-CG2 3.82Å; H759-V763 PolarHBondContact O-N 2.87Å; Q761-V763 VanDerWaalsContact C-N 3.34Å; Q761-V763 PolarHBondContact O-N 3.47Å; V763-L766 PolarHBondContact O-N 3.42Å; V763-L767 HydrophobicContact CG1-CD1 4Å; V763-L767 VanDerWaalsContact O-CG 3.29Å; V763-L767 WeakPolarHBondContact O-CG 3.3Å; V763-L767 PolarHBondContact O-N 3.18Å; V763-L767 VanDerWaalsContact O-N 3.11Å; V763-I795 HydrophobicContact CG1-CG2 4.13Å; V763-I795 HydrophobicContact CG2-CD1 4.41Å; V763-I795 HydrophobicContact CG2-CG2 4.25Å; V763-L799 HydrophobicContact CG1-CD2 4.36Å; V763-L799 HydrophobicContact CG1-CG 4.47Å
764R92Very high91Very high125 Ų12537.5 Ų37.547%0.47220%0.201SC..Hα-helixtrans-61.3-50.4174.4-68.5-179.4-149.1152.98.5111.4S760 Q761 L766 L767 E768 I798S760-R764 WeakPolarHBondContact O-CG 3.29Å; S760-R764 PolarHBondContact O-N 3.08Å; S760-R764 VanDerWaalsContact O-N 3.17Å; Q761-R764 PolarHBondContact O-N 3.04Å; R764-L766 VanDerWaalsContact C-N 3.31Å; R764-L766 PolarHBondContact O-N 3.42Å; R764-L767 PolarHBondContact O-N 3Å; R764-L767 VanDerWaalsContact O-N 3.07Å; R764-E768 WeakPolarHBondContact O-CB 3.17Å; R764-E768 WeakPolarHBondContact O-CG 3.39Å; R764-E768 PolarHBondContact O-N 3.47Å; R764-I798 HydrophobicContact CG-CD1 4.08Å
765L92.9Very high90.8Very high12 Ų1238 Ų386%0.06320%0.204CC..Hα-helixtrans-56.7-43.2179.3178.163.3000112.1I725 V728 R729 Q761 V762 E768 M769I725-L765 HydrophobicContact CG1-CD2 4.06Å; V728-L765 HydrophobicContact CB-CD2 4.25Å; V728-L765 HydrophobicContact CG1-CD2 3.73Å; V728-L765 HydrophobicContact CG1-CG 4.48Å; R729-L765 HydrophobicContact CG-CD1 4.26Å; R729-L765 HydrophobicContact CG-CD2 3.57Å; Q761-L765 PolarHBondContact O-N 3.11Å; V762-L765 PolarHBondContact O-N 2.84Å; L765-E768 PolarHBondContact O-N 2.95Å; L765-M769 HydrophobicContact CD1-CE 4.03Å; L765-M769 HydrophobicContact CD1-CG 4.2Å; L765-M769 WeakPolarHBondContact O-CB 3.48Å; L765-M769 VanDerWaalsContact O-CG 3.23Å; L765-M769 WeakPolarHBondContact O-CG 3.47Å; L765-M769 PolarHBondContact O-N 3.29Å
766L93.2Very high90.5Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-64.4-39176.7-72.5172.1000112.3V728 L732 I740 P750 L751 A754 V762 V763 R764 M769 G770 A771V728-L766 HydrophobicContact CG1-CD2 4.4Å; L732-L766 HydrophobicContact CD1-CD2 4.19Å; I740-L766 HydrophobicContact CD1-CD2 3.83Å; I740-L766 HydrophobicContact CG1-CD2 3.74Å; P750-L766 HydrophobicContact CB-CD1 4.36Å; P750-L766 HydrophobicContact CB-CD2 4.46Å; L751-L766 HydrophobicContact CB-CD1 4.22Å; L751-L766 HydrophobicContact CD1-CB 4.11Å; L751-L766 HydrophobicContact CD1-CD1 4.24Å; A754-L766 HydrophobicContact CB-CD1 4.06Å; V762-L766 HydrophobicContact CG1-CD1 3.97Å; V762-L766 HydrophobicContact CG1-CG 4.24Å; V762-L766 WeakPolarHBondContact O-CB 3.33Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.49Å; V762-L766 PolarHBondContact O-N 2.88Å; V763-L766 PolarHBondContact O-N 3.42Å; R764-L766 VanDerWaalsContact C-N 3.31Å; R764-L766 PolarHBondContact O-N 3.42Å; L766-M769 CarbonylContact O-C 3.55Å; L766-M769 PolarHBondContact O-N 3.38Å; L766-G770 PolarHBondContact O-N 3.05Å; L766-G770 VanDerWaalsContact O-N 3.16Å; L766-A771 HydrophobicContact CB-CB 4.01Å; L766-A771 WeakPolarHBondContact O-CB 3.27Å; L766-A771 PolarHBondContact O-N 3.18Å
767L91.6Very high90.3Very high39 Ų3942.5 Ų42.520%0.20422%0.222CC..Hα-helixtrans-70.4-40.1176.4-68.6168.7000112.1L751 V763 R764 M769 G770 I798 L799 V802L751-L767 HydrophobicContact CD1-CD2 4.44Å; L751-L767 HydrophobicContact CD1-CG 4.33Å; L751-L767 HydrophobicContact CD2-CD2 4.05Å; V763-L767 HydrophobicContact CG1-CD1 4Å; V763-L767 VanDerWaalsContact O-CG 3.29Å; V763-L767 WeakPolarHBondContact O-CG 3.3Å; V763-L767 PolarHBondContact O-N 3.18Å; V763-L767 VanDerWaalsContact O-N 3.11Å; R764-L767 PolarHBondContact O-N 3Å; R764-L767 VanDerWaalsContact O-N 3.07Å; L767-M769 VanDerWaalsContact C-N 3.27Å; L767-M769 PolarHBondContact O-N 2.69Å; L767-G770 PolarHBondContact O-N 3.35Å; L767-I798 HydrophobicContact CD1-CG2 3.64Å; L767-L799 HydrophobicContact CD1-CD2 3.99Å; L767-L799 HydrophobicContact CD2-CD2 4.27Å; L767-V802 HydrophobicContact CD1-CG2 4.38Å; L767-V802 HydrophobicContact CD2-CG2 4.18Å
768E90.2Very high90Very high148 Ų14848.5 Ų48.569%0.69225%0.25SS*.Hα-helixtrans-60.9-36.7173.1-72.7165.7-161.200111.6R764 L765 G770R764-E768 WeakPolarHBondContact O-CB 3.17Å; R764-E768 WeakPolarHBondContact O-CG 3.39Å; R764-E768 PolarHBondContact O-N 3.47Å; L765-E768 PolarHBondContact O-N 2.95Å; E768-G770 VanDerWaalsContact C-N 3.31Å; E768-G770 PolarHBondContact O-N 3.35Å
769M88.9Confident89.6Confident90 Ų9050.8 Ų50.844%0.44326%0.255SS..THydrogen-bonded Turntrans-857.3174.3-62.4-63-177.900114.2L732 I740 L765 L766 L767L732-M769 HydrophobicContact CD1-CB 4.25Å; L732-M769 HydrophobicContact CD1-CG 4.16Å; I740-M769 HydrophobicContact CD1-CB 3.74Å; L765-M769 HydrophobicContact CD1-CE 4.03Å; L765-M769 HydrophobicContact CD1-CG 4.2Å; L765-M769 WeakPolarHBondContact O-CB 3.48Å; L765-M769 VanDerWaalsContact O-CG 3.23Å; L765-M769 WeakPolarHBondContact O-CG 3.47Å; L765-M769 PolarHBondContact O-N 3.29Å; L766-M769 CarbonylContact O-C 3.55Å; L766-M769 PolarHBondContact O-N 3.38Å; L767-M769 VanDerWaalsContact C-N 3.27Å; L767-M769 PolarHBondContact O-N 2.69Å
770G87.9Confident89.1Confident51 Ų5150.7 Ų50.753%0.52626%0.262SS..THydrogen-bonded Turntrans87.325.9169.200000117.1L766 L767 E768L766-G770 PolarHBondContact O-N 3.05Å; L766-G770 VanDerWaalsContact O-N 3.16Å; L767-G770 PolarHBondContact O-N 3.35Å; E768-G770 VanDerWaalsContact C-N 3.31Å; E768-G770 PolarHBondContact O-N 3.35Å
771A91.2Very high88.9Confident9 Ų949.5 Ų49.57%0.07425%0.253CS..  trans-63.9137169.900000111.9I740 L751 L766 S773I740-A771 HydrophobicContact CD1-CB 3.94Å; I740-A771 HydrophobicContact CG1-CB 4.01Å; L751-A771 HydrophobicContact CB-CB 4.2Å; L751-A771 HydrophobicContact CD2-CB 3.91Å; L751-A771 HydrophobicContact CG-CB 4.48Å; L766-A771 HydrophobicContact CB-CB 4.01Å; L766-A771 WeakPolarHBondContact O-CB 3.27Å; L766-A771 PolarHBondContact O-N 3.18Å; A771-S773 PolarHBondContact O-N 2.74Å
772D89.5Confident88.9Confident65 Ų6544.7 Ų44.735%0.34823%0.231SC..  trans-83.5108.8-176.2177.618.9000112.1N741 N774 V775N741-D772 PolarHBondContact OD1-N 3.43Å; D772-N774 PolarHBondContact O-N 2.89Å; D772-N774 VanDerWaalsContact O-N 3.16Å; D772-N774 VanDerWaalsContact OD1-CB 3.25Å; D772-N774 WeakPolarHBondContact OD1-CB 3.43Å; D772-N774 PolarHBondContact OD1-N 3.02Å; D772-N774 PolarHBondContact OD1-ND2 2.85Å; D772-V775 HydrophobicContact CB-CG2 3.84Å; D772-V775 PolarHBondContact O-N 2.68Å; D772-V775 WeakPolarHBondContact OD2-CG2 3.15Å
773S89.5Confident88.8Confident8 Ų844.5 Ų44.56%0.05623%0.23CC..THydrogen-bonded Turntrans-62.6-11.6175.760.80000114.9A771 V802 T803A771-S773 PolarHBondContact O-N 2.74Å; S773-V802 PolarHBondContact OG-O 2.89Å; S773-T803 PolarHBondContact O-OG1 2.91Å
774N88.8Confident88.6Confident39 Ų3944.5 Ų44.521%0.20923%0.23CC..THydrogen-bonded Turntrans-101.5-7.7-174.6-51.6-84.4000112.8D772 R776 T804 T805D772-N774 PolarHBondContact O-N 2.89Å; D772-N774 VanDerWaalsContact O-N 3.16Å; D772-N774 VanDerWaalsContact OD1-CB 3.25Å; D772-N774 WeakPolarHBondContact OD1-CB 3.43Å; D772-N774 PolarHBondContact OD1-N 3.02Å; D772-N774 PolarHBondContact OD1-ND2 2.85Å; N774-R776 PolarHBondContact O-N 2.95Å; N774-T804 PolarHBondContact OD1-N 2.84Å; N774-T804 PolarHBondContact OD1-OG1 3.35Å; N774-T805 HydrophobicContact CB-CG2 3.82Å
775V88.6Confident88.5Confident11 Ų1139.4 Ų39.47%0.06721%0.211CC..  trans-60.2129.5175176.20000109.7T749 H752 D772 T782 P783T749-V775 HydrophobicContact CG2-CB 4.49Å; T749-V775 HydrophobicContact CG2-CG1 3.87Å; H752-V775 PolarHBondContact CE1-O 3.36Å; H752-V775 VanDerWaalsContact CE1-O 3.26Å; H752-V775 PolarHBondContact NE2-O 3.44Å; D772-V775 HydrophobicContact CB-CG2 3.84Å; D772-V775 PolarHBondContact O-N 2.68Å; D772-V775 WeakPolarHBondContact OD2-CG2 3.15Å; V775-T782 WeakPolarHBondContact O-CA 3.31Å; V775-P783 WeakPolarHBondContact O-CD 3.46Å
776R87.2Confident88.3Confident85 Ų8538.8 Ų38.832%0.32121%0.208SC..  trans-101.9136.5170.8-69.7176.9178.8-118.811.9111R743 N774 G780 L781 T782 E812R743-R776 PolarHBondContact NH1-O 2.86Å; N774-R776 PolarHBondContact O-N 2.95Å; R776-G780 WeakPolarHBondContact CD-O 3.48Å; R776-G780 WeakPolarHBondContact CG-O 3.19Å; R776-G780 PolarHBondContact NH1-O 3.36Å; R776-L781 CarbonylContact C-O 3.05Å; R776-L781 VanDerWaalsContact CA-O 3.24Å; R776-L781 WeakPolarHBondContact CA-O 3.38Å; R776-T782 HydrophobicContact CG-CG2 3.6Å; R776-E812 IonicContact NH2-OE1 3.58Å; R776-E812 IonicContact NH2-OE2 3.92Å
777N86.1Confident88.1Confident10 Ų1038.8 Ų38.85%0.05321%0.208CC..  trans-74.7-174.9173.276.3-1.4000112.1F748 Q779 G780 L781F748-N777 HydrophobicContact CD2-CB 4.23Å; F748-N777 HydrophobicContact CE2-CB 4.33Å; F748-N777 VanDerWaalsContact CE2-ND2 3.34Å; F748-N777 WeakPolarHBondContact CE2-ND2 3.14Å; F748-N777 WeakPolarHBondContact CZ-ND2 3.31Å; N777-Q779 PolarHBondContact O-N 3.44Å; N777-Q779 WeakPolarHBondContact OD1-CA 3.46Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.44Å; N777-Q779 PolarHBondContact OD1-N 3.34Å; N777-G780 PolarHBondContact O-N 3.48Å; N777-G780 PolarHBondContact OD1-N 3.15Å; N777-L781 PolarHBondContact N-O 3.08Å; N777-L781 WeakPolarHBondContact OD1-CB 3.43Å; N777-L781 PolarHBondContact OD1-N 2.89Å; N777-L781 PolarHBondContact OD1-O 3.17Å
778Q83.5Confident87.9Confident137 Ų13740.8 Ų40.864%0.6421%0.213SC*.THydrogen-bonded Turntrans-65.7-20.5179.4-73.9178.315.700114.8Q745 M746 G780Q745-Q778 PolarHBondContact O-NE2 2.85Å; M746-Q778 WeakPolarHBondContact O-CB 3.33Å; M746-Q778 VanDerWaalsContact O-CG 3.26Å; M746-Q778 WeakPolarHBondContact O-CG 3.24Å; M746-Q778 PolarHBondContact O-N 2.7Å; Q778-G780 VanDerWaalsContact C-N 3.26Å
779Q80.4Confident87.6Confident68 Ų6837 Ų3732%0.31819%0.194SC..THydrogen-bonded Turntrans-83.31.5170.8-62-160.9-7000112.9N777 L781N777-Q779 PolarHBondContact O-N 3.44Å; N777-Q779 WeakPolarHBondContact OD1-CA 3.46Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.44Å; N777-Q779 PolarHBondContact OD1-N 3.34Å; Q779-L781 VanDerWaalsContact C-N 3.29Å; Q779-L781 HydrophobicContact CB-CD1 3.76Å; Q779-L781 HydrophobicContact CB-CG 3.9Å; Q779-L781 PolarHBondContact O-N 3.22Å
780G82.9Confident87.4Confident28 Ų2834.3 Ų34.329%0.28918%0.18SC..SBendtrans77.611.9-176.600000114.3R776 N777 Q778R776-G780 WeakPolarHBondContact CD-O 3.48Å; R776-G780 WeakPolarHBondContact CG-O 3.19Å; R776-G780 PolarHBondContact NH1-O 3.36Å; N777-G780 PolarHBondContact O-N 3.48Å; N777-G780 PolarHBondContact OD1-N 3.15Å; Q778-G780 VanDerWaalsContact C-N 3.26Å
781L85.7Confident87.2Confident10 Ų1039.4 Ų39.45%0.05219%0.19CC..  trans-91.1136.5-176.7-56.3167.7000110.6H752 R776 N777 Q779 H785 I786 L816 L820H752-L781 PolarHBondContact NE2-O 2.89Å; R776-L781 CarbonylContact C-O 3.05Å; R776-L781 VanDerWaalsContact CA-O 3.24Å; R776-L781 WeakPolarHBondContact CA-O 3.38Å; N777-L781 PolarHBondContact N-O 3.08Å; N777-L781 WeakPolarHBondContact OD1-CB 3.43Å; N777-L781 PolarHBondContact OD1-N 2.89Å; N777-L781 PolarHBondContact OD1-O 3.17Å; Q779-L781 VanDerWaalsContact C-N 3.29Å; Q779-L781 HydrophobicContact CB-CD1 3.76Å; Q779-L781 HydrophobicContact CB-CG 3.9Å; Q779-L781 PolarHBondContact O-N 3.22Å; L781-H785 HydrophobicContact CB-CB 4.07Å; L781-H785 HydrophobicContact CD2-CB 3.9Å; L781-I786 HydrophobicContact CB-CG1 4.42Å; L781-L816 HydrophobicContact CD2-CD2 4Å; L781-L820 HydrophobicContact CD1-CD1 3.42Å; L781-L820 VanDerWaalsContact CD1-CD1 3.42Å; L781-L820 HydrophobicContact CD1-CG 4.41Å
782T91Very high86.9Confident0 Ų041.7 Ų41.70%020%0.197CC..  trans-83.5168.1165.858.90000110.4V775 R776 A784 H785 I786 T803V775-T782 WeakPolarHBondContact O-CA 3.31Å; R776-T782 HydrophobicContact CG-CG2 3.6Å; T782-A784 PolarHBondContact O-N 3.03Å; T782-A784 PolarHBondContact OG1-N 3.46Å; T782-H785 WeakPolarHBondContact O-CB 3.48Å; T782-H785 PolarHBondContact O-N 2.7Å; T782-H785 PolarHBondContact OG1-CD2 2.94Å; T782-H785 PolarHBondContact OG1-N 3.49Å; T782-I786 PolarHBondContact O-N 3.42Å; T782-T803 HydrophobicContact CG2-CG2 4.32Å
783P90.5Very high86.8Confident0 Ų043.2 Ų43.20%021%0.209CC..Hα-helixtrans-53-40.2167.9-27.336.6000112L751 T755 V775 H785 I786 A787 L799L751-P783 HydrophobicContact CD2-CB 4.43Å; L751-P783 HydrophobicContact CD2-CG 3.94Å; L751-P783 HydrophobicContact CG-CB 4.16Å; L751-P783 HydrophobicContact CG-CG 3.91Å; T755-P783 HydrophobicContact CG2-CB 4.38Å; T755-P783 VanDerWaalsContact CG2-O 3.23Å; T755-P783 WeakPolarHBondContact CG2-O 3.36Å; V775-P783 WeakPolarHBondContact O-CD 3.46Å; P783-H785 VanDerWaalsContact C-N 3.31Å; P783-H785 PolarHBondContact O-N 3.4Å; P783-I786 PolarHBondContact O-N 3.18Å; P783-I786 VanDerWaalsContact O-N 3.1Å; P783-A787 PolarHBondContact O-N 3.02Å; P783-L799 HydrophobicContact CB-CD1 3.83Å; P783-L799 HydrophobicContact CB-CD2 4.33Å
784A90Very high86.6Confident0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-60.9-36.3176.600000113.2T782 A787 R788 F796 L799 T803 W809T782-A784 PolarHBondContact O-N 3.03Å; T782-A784 PolarHBondContact OG1-N 3.46Å; A784-A787 PolarHBondContact O-N 2.62Å; A784-R788 WeakPolarHBondContact O-CB 3.17Å; A784-R788 PolarHBondContact O-N 2.77Å; A784-F796 HydrophobicContact CB-CD2 4.49Å; A784-F796 HydrophobicContact CB-CE2 4.47Å; A784-F796 WeakPolarHBondContact O-CD2 3.4Å; A784-L799 HydrophobicContact CB-CB 3.92Å; A784-T803 HydrophobicContact CB-CG2 4.38Å; A784-W809 HydrophobicContact CB-CH2 3.59Å; A784-W809 HydrophobicContact CB-CZ3 4.03Å
785H89.2Confident86.7Confident17 Ų1745.3 Ų45.38%0.07922%0.223CC..Hα-helixtrans-67-37.4174.4-63.7171.3000112L781 T782 P783 K789 V806 W809 E812L781-H785 HydrophobicContact CB-CB 4.07Å; L781-H785 HydrophobicContact CD2-CB 3.9Å; T782-H785 WeakPolarHBondContact O-CB 3.48Å; T782-H785 PolarHBondContact O-N 2.7Å; T782-H785 PolarHBondContact OG1-CD2 2.94Å; T782-H785 PolarHBondContact OG1-N 3.49Å; P783-H785 VanDerWaalsContact C-N 3.31Å; P783-H785 PolarHBondContact O-N 3.4Å; H785-K789 VanDerWaalsContact O-CB 3.3Å; H785-K789 WeakPolarHBondContact O-CB 3.39Å; H785-K789 PolarHBondContact O-N 3.16Å; H785-K789 VanDerWaalsContact O-N 3.15Å; H785-V806 WeakPolarHBondContact NE2-CG2 3.46Å; H785-W809 AromaticContact CD2-CZ3 3.71Å; H785-W809 AromaticContact NE2-CZ3 3.81Å; H785-E812 IonicContact CE1-OE2 3.44Å; H785-E812 PolarHBondContact CE1-OE2 3.07Å; H785-E812 IonicContact NE2-OE2 3.16Å
786I88Confident86.8Confident0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-67.8-47.3174.3-62.3178.6000110.4F748 H752 T755 Q756 L781 T782 P783 R788 K789 Q790 L822F748-I786 HydrophobicContact CD1-CD1 4.29Å; F748-I786 HydrophobicContact CE1-CD1 3.71Å; F748-I786 HydrophobicContact CZ-CD1 4.47Å; H752-I786 HydrophobicContact CB-CD1 4.25Å; T755-I786 HydrophobicContact CG2-CB 4.35Å; T755-I786 HydrophobicContact CG2-CG2 4.36Å; Q756-I786 HydrophobicContact CB-CG2 4.22Å; Q756-I786 HydrophobicContact CG-CG2 4.5Å; L781-I786 HydrophobicContact CB-CG1 4.42Å; T782-I786 PolarHBondContact O-N 3.42Å; P783-I786 PolarHBondContact O-N 3.18Å; P783-I786 VanDerWaalsContact O-N 3.1Å; I786-R788 VanDerWaalsContact C-N 3.32Å; I786-R788 PolarHBondContact O-N 3.17Å; I786-K789 PolarHBondContact O-N 3.05Å; I786-K789 VanDerWaalsContact O-N 3.12Å; I786-Q790 HydrophobicContact CG2-CG 4.38Å; I786-Q790 WeakPolarHBondContact O-CB 3.33Å; I786-Q790 PolarHBondContact O-N 3.47Å; I786-L822 HydrophobicContact CG2-CD2 4.48Å
787A89.9Confident86.8Confident0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-56-45.7178.500000112.1T755 P783 A784 H791 Y792 I795 F796 L799T755-A787 HydrophobicContact CG2-CB 3.61Å; P783-A787 PolarHBondContact O-N 3.02Å; A784-A787 PolarHBondContact O-N 2.62Å; A787-H791 PolarHBondContact O-N 3.14Å; A787-Y792 PolarHBondContact O-N 3.48Å; A787-I795 HydrophobicContact CB-CB 4.38Å; A787-I795 HydrophobicContact CB-CG2 3.96Å; A787-F796 HydrophobicContact CB-CB 3.9Å; A787-F796 HydrophobicContact CB-CD2 4.48Å; A787-L799 HydrophobicContact CB-CD1 4.13Å
788R87.1Confident86.9Confident81 Ų8147.2 Ų47.231%0.30624%0.238SC..Hα-helixtrans-62.8-40.9177.4-169.3178.8176.6108.7-4.4112.4A784 I786 H791 F796 W809 H813A784-R788 WeakPolarHBondContact O-CB 3.17Å; A784-R788 PolarHBondContact O-N 2.77Å; I786-R788 VanDerWaalsContact C-N 3.32Å; I786-R788 PolarHBondContact O-N 3.17Å; R788-H791 PolarHBondContact O-N 3.23Å; R788-F796 HydrophobicContact CB-CD2 3.73Å; R788-F796 HydrophobicContact CB-CE2 3.88Å; R788-F796 HydrophobicContact CB-CG 4.22Å; R788-F796 HydrophobicContact CB-CZ 4.48Å; R788-F796 HydrophobicContact CG-CD2 4.41Å; R788-F796 HydrophobicContact CG-CE2 4.26Å; R788-F796 HydrophobicContact CG-CZ 4.37Å; R788-W809 PolarHBondContact NH2-O 3.03Å; R788-W809 VanDerWaalsContact NH2-O 3.17Å; R788-H813 PolarHBondContact NE-CD2 3.1Å; R788-H813 VanDerWaalsContact NE-CD2 3.32Å; R788-H813 PolarHBondContact NE-NE2 2.42Å; R788-H813 PolarHBondContact NH2-CD2 3.4Å; R788-H813 PolarHBondContact NH2-NE2 3Å
789K83.4Confident87.2Confident68 Ų6840.7 Ų40.730%0.29621%0.207SC..Hα-helixtrans-85.9-17.1-174.2-165.2145.1167.7173.40114.2H785 I786 L816 Q818 L820H785-K789 VanDerWaalsContact O-CB 3.3Å; H785-K789 WeakPolarHBondContact O-CB 3.39Å; H785-K789 PolarHBondContact O-N 3.16Å; H785-K789 VanDerWaalsContact O-N 3.15Å; I786-K789 PolarHBondContact O-N 3.05Å; I786-K789 VanDerWaalsContact O-N 3.12Å; K789-L816 PolarHBondContact NZ-O 3.17Å; K789-Q818 PolarHBondContact NZ-O 2.81Å; K789-L820 HydrophobicContact CB-CD2 4.42Å; K789-L820 HydrophobicContact CD-CD1 3.89Å; K789-L820 HydrophobicContact CG-CD1 4.22Å; K789-L820 HydrophobicContact CG-CD2 4.27Å
790Q84.2Confident87.4Confident33 Ų3342 Ų4215%0.15421%0.212CC..THydrogen-bonded Turntrans-93.88.3164.9-76.1-73.25700113.1I786 Y792 L822 L880 N882I786-Q790 HydrophobicContact CG2-CG 4.38Å; I786-Q790 WeakPolarHBondContact O-CB 3.33Å; I786-Q790 PolarHBondContact O-N 3.47Å; Q790-Y792 HydrophobicContact CB-CD2 3.52Å; Q790-Y792 HydrophobicContact CB-CE2 3.58Å; Q790-Y792 HydrophobicContact CB-CG 4.49Å; Q790-Y792 HydrophobicContact CG-CE2 4.23Å; Q790-Y792 PolarHBondContact O-N 3.44Å; Q790-Y792 VanDerWaalsContact O-N 3.16Å; Q790-L822 HydrophobicContact CG-CD1 4.22Å; Q790-L880 VanDerWaalsContact CD-CD2 3.46Å; Q790-L880 HydrophobicContact CG-CD2 4.2Å; Q790-N882 PolarHBondContact NE2-ND2 2.79Å
791H84.1Confident87.5Confident158 Ų15846.3 Ų46.373%0.73123%0.232SC*.THydrogen-bonded Turntrans57.923.2-179.7-56.8-75.7000115.8A787 R788 V793A787-H791 PolarHBondContact O-N 3.14Å; R788-H791 PolarHBondContact O-N 3.23Å; H791-V793 VanDerWaalsContact C-N 3.29Å; H791-V793 PolarHBondContact O-N 3.47Å
792Y86.4Confident87.5Confident58 Ų5848.5 Ų48.523%0.22725%0.246CC..  trans-76.976.1174.7-69.3-57.4000111.6T755 Q757 G758 A787 Q790 T794 I795 F796 N882T755-Y792 WeakPolarHBondContact O-CD2 3.45Å; Q757-Y792 PolarHBondContact O-OH 3.26Å; G758-Y792 VanDerWaalsContact CA-CE1 3.45Å; G758-Y792 PolarHBondContact N-OH 2.93Å; A787-Y792 PolarHBondContact O-N 3.48Å; Q790-Y792 HydrophobicContact CB-CD2 3.52Å; Q790-Y792 HydrophobicContact CB-CE2 3.58Å; Q790-Y792 HydrophobicContact CB-CG 4.49Å; Q790-Y792 HydrophobicContact CG-CE2 4.23Å; Q790-Y792 PolarHBondContact O-N 3.44Å; Q790-Y792 VanDerWaalsContact O-N 3.16Å; Y792-T794 PolarHBondContact O-N 2.79Å; Y792-I795 HydrophobicContact CG-CD1 4.39Å; Y792-I795 PolarHBondContact O-N 2.66Å; Y792-I795 VanDerWaalsContact O-N 3.12Å; Y792-F796 WeakPolarHBondContact O-CB 3.44Å; Y792-F796 PolarHBondContact O-N 3.2Å; Y792-N882 PolarHBondContact OH-ND2 2.92Å
793V85.7Confident87.2Confident96 Ų9648.9 Ų48.958%0.58225%0.249SC*.Hα-helixtrans-49.9-50.9-175.6-175.50000112.3H791 I795 F796 D797H791-V793 VanDerWaalsContact C-N 3.29Å; H791-V793 PolarHBondContact O-N 3.47Å; V793-I795 VanDerWaalsContact C-N 3.34Å; V793-I795 PolarHBondContact O-N 2.99Å; V793-F796 PolarHBondContact O-N 2.89Å; V793-D797 PolarHBondContact O-N 2.96Å
794T86.8Confident86.8Confident91 Ų9154.3 Ų54.356%0.55828%0.282SS*.Hα-helixtrans-62.6-37.1-178.152.50000113.3Y792 I798Y792-T794 PolarHBondContact O-N 2.79Å; T794-I798 WeakPolarHBondContact O-CD1 3.4Å; T794-I798 VanDerWaalsContact O-CG1 3.28Å; T794-I798 WeakPolarHBondContact O-CG1 3.28Å; T794-I798 PolarHBondContact O-N 2.85Å
795I89.7Confident86.2Confident1 Ų157.2 Ų57.21%0.00530%0.3CS..Hα-helixtrans-77.6-36.6177.5-63.5176.1000110.6T755 G758 V763 A787 Y792 V793 I798 L799T755-I795 HydrophobicContact CG2-CG2 3.83Å; G758-I795 VanDerWaalsContact C-CD1 3.46Å; G758-I795 WeakPolarHBondContact O-CD1 3.32Å; V763-I795 HydrophobicContact CG1-CG2 4.13Å; V763-I795 HydrophobicContact CG2-CD1 4.41Å; V763-I795 HydrophobicContact CG2-CG2 4.25Å; A787-I795 HydrophobicContact CB-CB 4.38Å; A787-I795 HydrophobicContact CB-CG2 3.96Å; Y792-I795 HydrophobicContact CG-CD1 4.39Å; Y792-I795 PolarHBondContact O-N 2.66Å; Y792-I795 VanDerWaalsContact O-N 3.12Å; V793-I795 VanDerWaalsContact C-N 3.34Å; V793-I795 PolarHBondContact O-N 2.99Å; I795-I798 PolarHBondContact O-N 3.17Å; I795-L799 HydrophobicContact CG2-CD1 3.6Å; I795-L799 HydrophobicContact CG2-CG 4.26Å; I795-L799 WeakPolarHBondContact O-CB 3.44Å; I795-L799 WeakPolarHBondContact O-CG 3.5Å; I795-L799 PolarHBondContact O-N 2.93Å
796F90.9Very high85.4Confident19 Ų1957.1 Ų57.18%0.08330%0.3CS..Hα-helixtrans-63.8-44.5174.5179.2-113.5000111.3A784 A787 R788 Y792 V793 I798 L799 K800 W809A784-F796 HydrophobicContact CB-CD2 4.49Å; A784-F796 HydrophobicContact CB-CE2 4.47Å; A784-F796 WeakPolarHBondContact O-CD2 3.4Å; A787-F796 HydrophobicContact CB-CB 3.9Å; A787-F796 HydrophobicContact CB-CD2 4.48Å; R788-F796 HydrophobicContact CB-CD2 3.73Å; R788-F796 HydrophobicContact CB-CE2 3.88Å; R788-F796 HydrophobicContact CB-CG 4.22Å; R788-F796 HydrophobicContact CB-CZ 4.48Å; R788-F796 HydrophobicContact CG-CD2 4.41Å; R788-F796 HydrophobicContact CG-CE2 4.26Å; R788-F796 HydrophobicContact CG-CZ 4.37Å; Y792-F796 WeakPolarHBondContact O-CB 3.44Å; Y792-F796 PolarHBondContact O-N 3.2Å; V793-F796 PolarHBondContact O-N 2.89Å; F796-I798 PolarHBondContact O-N 3.1Å; F796-L799 PolarHBondContact O-N 3Å; F796-K800 HydrophobicContact CE1-CD 3.88Å; F796-K800 HydrophobicContact CE2-CB 4.38Å; F796-K800 HydrophobicContact CZ-CB 4.28Å; F796-K800 HydrophobicContact CZ-CD 4.09Å; F796-K800 HydrophobicContact CZ-CG 4.36Å; F796-K800 WeakPolarHBondContact O-CB 3.23Å; F796-K800 PolarHBondContact O-N 3.46Å; F796-W809 HydrophobicContact CE2-CD2 4.29Å; F796-W809 AromaticContact CE2-CE3 3.73Å; F796-W809 HydrophobicContact CE2-CE3 3.73Å; F796-W809 HydrophobicContact CE2-CH2 4.14Å; F796-W809 AromaticContact CE2-CZ3 3.65Å; F796-W809 HydrophobicContact CE2-CZ3 3.65Å; F796-W809 AromaticContact CZ-CD2 3.94Å; F796-W809 HydrophobicContact CZ-CD2 3.94Å; F796-W809 AromaticContact CZ-CE3 3.73Å; F796-W809 HydrophobicContact CZ-CE3 3.73Å; F796-W809 HydrophobicContact CZ-CG 4.43Å; F796-W809 HydrophobicContact CZ-CZ3 4.13Å
797D88.3Confident84.6Confident80 Ų8064 Ų6443%0.42834%0.342SS..Hα-helixtrans-64.5-38178.1-77.4-35.4000112.4V793V793-D797 PolarHBondContact O-N 2.96Å
798I87.3Confident83.7Confident47 Ų4765.4 Ų65.424%0.24135%0.352CS..Hα-helixtrans-59.4-58.5170-68.9165.1000109.8R764 L767 T794 I795 F796 K800 T801R764-I798 HydrophobicContact CG-CD1 4.08Å; L767-I798 HydrophobicContact CD1-CG2 3.64Å; T794-I798 WeakPolarHBondContact O-CD1 3.4Å; T794-I798 VanDerWaalsContact O-CG1 3.28Å; T794-I798 WeakPolarHBondContact O-CG1 3.28Å; T794-I798 PolarHBondContact O-N 2.85Å; I795-I798 PolarHBondContact O-N 3.17Å; F796-I798 PolarHBondContact O-N 3.1Å; I798-K800 PolarHBondContact O-N 3.14Å; I798-T801 PolarHBondContact O-N 2.74Å; I798-T801 PolarHBondContact O-OG1 2.81Å
799L89.6Confident83.2Confident0 Ų063.7 Ų63.70%035%0.345CS..Hα-helixtrans-65.7-34.6-173.3-70.3169000113.2T755 V763 L767 P783 A784 A787 I795 F796 T801 V802 T803T755-L799 HydrophobicContact CG2-CD1 3.86Å; V763-L799 HydrophobicContact CG1-CD2 4.36Å; V763-L799 HydrophobicContact CG1-CG 4.47Å; L767-L799 HydrophobicContact CD1-CD2 3.99Å; L767-L799 HydrophobicContact CD2-CD2 4.27Å; P783-L799 HydrophobicContact CB-CD1 3.83Å; P783-L799 HydrophobicContact CB-CD2 4.33Å; A784-L799 HydrophobicContact CB-CB 3.92Å; A787-L799 HydrophobicContact CB-CD1 4.13Å; I795-L799 HydrophobicContact CG2-CD1 3.6Å; I795-L799 HydrophobicContact CG2-CG 4.26Å; I795-L799 WeakPolarHBondContact O-CB 3.44Å; I795-L799 WeakPolarHBondContact O-CG 3.5Å; I795-L799 PolarHBondContact O-N 2.93Å; F796-L799 PolarHBondContact O-N 3Å; L799-T801 PolarHBondContact O-N 3.09Å; L799-V802 HydrophobicContact CD2-CG2 4.34Å; L799-V802 CarbonylContact O-C 3.57Å; L799-V802 WeakPolarHBondContact O-CG2 3.39Å; L799-V802 PolarHBondContact O-N 3.18Å; L799-T803 WeakPolarHBondContact O-CB 3.27Å; L799-T803 PolarHBondContact O-N 3.38Å; L799-T803 PolarHBondContact O-OG1 3.33Å
800K85.5Confident82.2Confident95 Ų9568.3 Ų68.341%0.41337%0.368SS..Hα-helixtrans-57.9-28.7176176.2-175.3176.3-171.20113.1F796 I798 W809F796-K800 HydrophobicContact CE1-CD 3.88Å; F796-K800 HydrophobicContact CE2-CB 4.38Å; F796-K800 HydrophobicContact CZ-CB 4.28Å; F796-K800 HydrophobicContact CZ-CD 4.09Å; F796-K800 HydrophobicContact CZ-CG 4.36Å; F796-K800 WeakPolarHBondContact O-CB 3.23Å; F796-K800 PolarHBondContact O-N 3.46Å; I798-K800 PolarHBondContact O-N 3.14Å; K800-W809 HydrophobicContact CB-CZ2 4.49Å; K800-W809 HydrophobicContact CG-CZ2 4.34Å
801T84.2Confident80.9Confident118 Ų11873.9 Ų73.972%0.72439%0.394SS*.Hα-helixtrans-80.1-20.4176.365.20000113.7I798 L799I798-T801 PolarHBondContact O-N 2.74Å; I798-T801 PolarHBondContact O-OG1 2.81Å; L799-T801 PolarHBondContact O-N 3.09Å
802V85.8Confident79.8Confident57 Ų5769 Ų6935%0.34537%0.372SS..Hα-helixtrans-113.6-16-175.8-65.50000114.4L767 S773 L799L767-V802 HydrophobicContact CD1-CG2 4.38Å; L767-V802 HydrophobicContact CD2-CG2 4.18Å; S773-V802 PolarHBondContact OG-O 2.89Å; L799-V802 HydrophobicContact CD2-CG2 4.34Å; L799-V802 CarbonylContact O-C 3.57Å; L799-V802 WeakPolarHBondContact O-CG2 3.39Å; L799-V802 PolarHBondContact O-N 3.18Å
803T84.2Confident78.2Confident8 Ų871.4 Ų71.45%0.04938%0.384CS..  trans-83.3115.8173.8-65.50000110S773 T782 A784 L799 V806 W809S773-T803 PolarHBondContact O-OG1 2.91Å; T782-T803 HydrophobicContact CG2-CG2 4.32Å; A784-T803 HydrophobicContact CB-CG2 4.38Å; L799-T803 WeakPolarHBondContact O-CB 3.27Å; L799-T803 PolarHBondContact O-N 3.38Å; L799-T803 PolarHBondContact O-OG1 3.33Å; T803-V806 HydrophobicContact CG2-CG2 4.4Å; T803-W809 HydrophobicContact CG2-CH2 4.12Å; T803-W809 HydrophobicContact CG2-CZ2 4.46Å
804T81.9Confident76.4Confident114 Ų11475.6 Ų75.670%0.69940%0.398SS*.  trans-100.4-8.5-173630000114.5N774 V806N774-T804 PolarHBondContact OD1-N 2.84Å; N774-T804 PolarHBondContact OD1-OG1 3.35Å; T804-V806 VanDerWaalsContact C-N 3.32Å; T804-V806 PolarHBondContact O-N 3.26Å
805T78.8Confident74.7Confident61 Ų6179.3 Ų79.337%0.37441%0.409SS..SBendtrans-86.48.5-172.558.10000115.2N774N774-T805 HydrophobicContact CB-CG2 3.82Å
806V71Confident73Confident14 Ų1482 Ų829%0.08542%0.423CS..  trans-125.7122.9-176.3-179.80000108.2H785 T803 T804 W809H785-V806 WeakPolarHBondContact NE2-CG2 3.46Å; T803-V806 HydrophobicContact CG2-CG2 4.4Å; T804-V806 VanDerWaalsContact C-N 3.32Å; T804-V806 PolarHBondContact O-N 3.26Å; V806-W809 HydrophobicContact CB-CD2 4.42Å; V806-W809 HydrophobicContact CB-CH2 4.07Å; V806-W809 HydrophobicContact CB-CZ2 3.95Å; V806-W809 HydrophobicContact CB-CZ3 4.35Å; V806-W809 HydrophobicContact CG1-CD2 3.81Å; V806-W809 HydrophobicContact CG1-CE3 3.93Å; V806-W809 HydrophobicContact CG1-CG 4.28Å; V806-W809 HydrophobicContact CG1-CH2 4.37Å; V806-W809 HydrophobicContact CG1-CZ2 4.26Å; V806-W809 HydrophobicContact CG1-CZ3 4.2Å; V806-W809 HydrophobicContact CG2-CH2 3.88Å; V806-W809 HydrophobicContact CG2-CZ2 4.26Å; V806-W809 HydrophobicContact CG2-CZ3 4.08Å
807V72.5Confident70.8Confident146 Ų14688.1 Ų88.189%0.88546%0.457SS*.SBendtrans-87.6-39-175.1-177.30000111.7
808S71.3Confident69Low29 Ų2991.4 Ų91.420%0.20347%0.469CS..  trans-139.4126.2174177.90000110.3E810 E811S808-E810 PolarHBondContact O-N 3.45Å; S808-E810 PolarHBondContact OG-N 2.8Å; S808-E811 VanDerWaalsContact CB-OE2 3.28Å; S808-E811 WeakPolarHBondContact CB-OE2 3.28Å; S808-E811 PolarHBondContact OG-N 3.2Å
809W74.9Confident67.3Low45 Ų4593.4 Ų93.417%0.1748%0.484CS..THydrogen-bonded Turntrans-79.3-0.4176.2-60.994.8000113.3A784 H785 R788 F796 K800 T803 V806A784-W809 HydrophobicContact CB-CH2 3.59Å; A784-W809 HydrophobicContact CB-CZ3 4.03Å; H785-W809 AromaticContact CD2-CZ3 3.71Å; H785-W809 AromaticContact NE2-CZ3 3.81Å; R788-W809 PolarHBondContact NH2-O 3.03Å; R788-W809 VanDerWaalsContact NH2-O 3.17Å; F796-W809 HydrophobicContact CE2-CD2 4.29Å; F796-W809 AromaticContact CE2-CE3 3.73Å; F796-W809 HydrophobicContact CE2-CE3 3.73Å; F796-W809 HydrophobicContact CE2-CH2 4.14Å; F796-W809 AromaticContact CE2-CZ3 3.65Å; F796-W809 HydrophobicContact CE2-CZ3 3.65Å; F796-W809 AromaticContact CZ-CD2 3.94Å; F796-W809 HydrophobicContact CZ-CD2 3.94Å; F796-W809 AromaticContact CZ-CE3 3.73Å; F796-W809 HydrophobicContact CZ-CE3 3.73Å; F796-W809 HydrophobicContact CZ-CG 4.43Å; F796-W809 HydrophobicContact CZ-CZ3 4.13Å; K800-W809 HydrophobicContact CB-CZ2 4.49Å; K800-W809 HydrophobicContact CG-CZ2 4.34Å; T803-W809 HydrophobicContact CG2-CH2 4.12Å; T803-W809 HydrophobicContact CG2-CZ2 4.46Å; V806-W809 HydrophobicContact CB-CD2 4.42Å; V806-W809 HydrophobicContact CB-CH2 4.07Å; V806-W809 HydrophobicContact CB-CZ2 3.95Å; V806-W809 HydrophobicContact CB-CZ3 4.35Å; V806-W809 HydrophobicContact CG1-CD2 3.81Å; V806-W809 HydrophobicContact CG1-CE3 3.93Å; V806-W809 HydrophobicContact CG1-CG 4.28Å; V806-W809 HydrophobicContact CG1-CH2 4.37Å; V806-W809 HydrophobicContact CG1-CZ2 4.26Å; V806-W809 HydrophobicContact CG1-CZ3 4.2Å; V806-W809 HydrophobicContact CG2-CH2 3.88Å; V806-W809 HydrophobicContact CG2-CZ2 4.26Å; V806-W809 HydrophobicContact CG2-CZ3 4.08Å
810E63.6Low65.8Low165 Ų16593.5 Ų93.577%0.77148%0.484SS*.THydrogen-bonded Turntrans-99.7-32175.4-65.2173-175.200110.9S808 H813S808-E810 PolarHBondContact O-N 3.45Å; S808-E810 PolarHBondContact OG-N 2.8Å; E810-H813 WeakPolarHBondContact O-CB 3.25Å
811E57.3Low64.5Low150 Ų15093.4 Ų93.470%0.70149%0.486SS*.THydrogen-bonded Turntrans-83-40.7-176.5-63.8173.8157.500113.2S808 H813S808-E811 VanDerWaalsContact CB-OE2 3.28Å; S808-E811 WeakPolarHBondContact CB-OE2 3.28Å; S808-E811 PolarHBondContact OG-N 3.2Å; E811-H813 PolarHBondContact O-N 3.31Å
812E60.6Low63.3Low56 Ų5688.6 Ų88.626%0.26246%0.456SS..THydrogen-bonded Turntrans-66.7-1.8175.7-77.9-168.5-14200113.1R776 H785 L816R776-E812 IonicContact NH2-OE1 3.58Å; R776-E812 IonicContact NH2-OE2 3.92Å; H785-E812 IonicContact CE1-OE2 3.44Å; H785-E812 PolarHBondContact CE1-OE2 3.07Å; H785-E812 IonicContact NE2-OE2 3.16Å; E812-L816 HydrophobicContact CB-CD1 4.38Å
813H51.4Low62.1Low107 Ų10786.8 Ų86.850%0.49544%0.444SS..THydrogen-bonded Turntrans-76.4-27.4-175.6-131.3-83.3000114.7R788 E810 E811R788-H813 PolarHBondContact NE-CD2 3.1Å; R788-H813 VanDerWaalsContact NE-CD2 3.32Å; R788-H813 PolarHBondContact NE-NE2 2.42Å; R788-H813 PolarHBondContact NH2-CD2 3.4Å; R788-H813 PolarHBondContact NH2-NE2 3Å; E810-H813 WeakPolarHBondContact O-CB 3.25Å; E811-H813 PolarHBondContact O-N 3.31Å
814E48.5Very low60.8Low185 Ų18589.6 Ų89.686%0.86446%0.456SS*.THydrogen-bonded Turntrans-85.1-19.4-177.1-63.7-167.3150.200113.3
815E50.4Low59.7Low169 Ų16984.7 Ų84.779%0.7943%0.426SS*.THydrogen-bonded Turntrans-95.1-16.2-177.7-63.8-161.1142.500114.5
816L55Low58.2Low57 Ų5787.3 Ų87.330%0.29844%0.438SS..  trans-104.518-168.5-83.8164.2000115.1L781 K789 E812 Q818L781-L816 HydrophobicContact CD2-CD2 4Å; K789-L816 PolarHBondContact NZ-O 3.17Å; E812-L816 HydrophobicContact CB-CD1 4.38Å; L816-Q818 PolarHBondContact O-N 2.85Å
817D45.8Very low57.3Low148 Ų14893.3 Ų93.379%0.79146%0.463SS*.  trans-78.533.5-175.8-150.927.8000114.5
818Q49.9Very low56.4Low149 Ų14986.7 Ų86.770%0.69642%0.423SS*.SBendtrans-93.2145173.7-60.9-178.934.400110.5K789 L816K789-Q818 PolarHBondContact NZ-O 2.81Å; L816-Q818 PolarHBondContact O-N 2.85Å
819T51.1Low55Low88 Ų8890.9 Ų90.954%0.5443%0.434SS..PPolyproline II helixtrans-62.4136.5-176.4-21.50000111.9M821 T878T819-M821 PolarHBondContact O-N 3.39Å; T819-T878 WeakPolarHBondContact CB-OG1 3.49Å; T819-T878 WeakPolarHBondContact CG2-OG1 3.02Å
820L58.5Low53.1Low3 Ų390.8 Ų90.82%0.01644%0.436CS..PPolyproline II helixtrans-81.5117.4-166.5-152.474.3000111.2L781 K789 L822 T878 G879 L880L781-L820 HydrophobicContact CD1-CD1 3.42Å; L781-L820 VanDerWaalsContact CD1-CD1 3.42Å; L781-L820 HydrophobicContact CD1-CG 4.41Å; K789-L820 HydrophobicContact CB-CD2 4.42Å; K789-L820 HydrophobicContact CD-CD1 3.89Å; K789-L820 HydrophobicContact CG-CD1 4.22Å; K789-L820 HydrophobicContact CG-CD2 4.27Å; L820-L822 HydrophobicContact CD2-CD1 3.97Å; L820-L822 HydrophobicContact CD2-CD2 3.55Å; L820-L822 HydrophobicContact CD2-CG 3.79Å; L820-L822 HydrophobicContact CG-CD2 3.86Å; L820-L822 HydrophobicContact CG-CG 4.12Å; L820-L822 PolarHBondContact O-N 2.62Å; L820-T878 WeakPolarHBondContact O-CB 3.28Å; L820-G879 WeakPolarHBondContact O-CA 3.39Å; L820-L880 HydrophobicContact CB-CD1 3.73Å; L820-L880 HydrophobicContact CB-CD2 4Å; L820-L880 HydrophobicContact CB-CG 3.94Å; L820-L880 HydrophobicContact CD2-CD2 3.6Å; L820-L880 HydrophobicContact CD2-CG 4.28Å; L820-L880 HydrophobicContact CG-CD2 4.42Å
821M56.9Low51.5Low92 Ų9291 Ų9145%0.45344%0.436SS..  trans-84101.2171.6-73.5-163.97200109.6F748 T819 T878F748-M821 WeakPolarHBondContact CZ-O 3.47Å; T819-M821 PolarHBondContact O-N 3.39Å; M821-T878 HydrophobicContact CB-CG2 4.44Å; M821-T878 HydrophobicContact CG-CG2 3.25Å; M821-T878 HydrophobicContact SD-CG2 4.21Å
822L60.5Low50.1Low18 Ų1885.4 Ų85.49%0.09441%0.413CS..  trans-98.4145.4172.6-65.1-170000111.2F748 Q756 I786 Q790 L820 H824 L880 F881F748-L822 HydrophobicContact CE1-CD2 4.12Å; F748-L822 HydrophobicContact CZ-CD2 4.26Å; Q756-L822 HydrophobicContact CG-CB 4.22Å; Q756-L822 HydrophobicContact CG-CD1 3.55Å; Q756-L822 HydrophobicContact CG-CD2 3.75Å; Q756-L822 HydrophobicContact CG-CG 4.02Å; I786-L822 HydrophobicContact CG2-CD2 4.48Å; Q790-L822 HydrophobicContact CG-CD1 4.22Å; L820-L822 HydrophobicContact CD2-CD1 3.97Å; L820-L822 HydrophobicContact CD2-CD2 3.55Å; L820-L822 HydrophobicContact CD2-CG 3.79Å; L820-L822 HydrophobicContact CG-CD2 3.86Å; L820-L822 HydrophobicContact CG-CG 4.12Å; L820-L822 PolarHBondContact O-N 2.62Å; L822-H824 PolarHBondContact O-N 2.82Å; L822-L880 HydrophobicContact CD1-CB 3.94Å; L822-L880 HydrophobicContact CD1-CD2 3.67Å; L822-L880 HydrophobicContact CD1-CG 3.73Å; L822-L880 HydrophobicContact CG-CD2 4.34Å; L822-L880 HydrophobicContact CG-CG 4.1Å; L822-F881 HydrophobicContact CB-CB 4.25Å; L822-F881 HydrophobicContact CB-CD2 3.3Å; L822-F881 HydrophobicContact CB-CE2 3.77Å; L822-F881 HydrophobicContact CB-CG 4.08Å; L822-F881 HydrophobicContact CD1-CB 3.71Å; L822-F881 HydrophobicContact CD1-CD2 4.27Å; L822-F881 HydrophobicContact CD1-CG 4.24Å; L822-F881 HydrophobicContact CG-CD2 4.44Å
823E60.9Low48.6Very low19 Ų1985.7 Ų85.79%0.08941%0.414CS..  trans-9492-162.2-154.9-179.8-177.700112Y713 T744 M746 F748 P825 F881Y713-E823 HydrophobicContact CE2-CG 4.25Å; Y713-E823 VanDerWaalsContact OH-CG 3.26Å; Y713-E823 WeakPolarHBondContact OH-CG 3.24Å; Y713-E823 PolarHBondContact OH-O 3.03Å; T744-E823 VanDerWaalsContact CB-OE1 3.31Å; T744-E823 WeakPolarHBondContact CB-OE1 3.23Å; T744-E823 VanDerWaalsContact CB-OE2 3.3Å; T744-E823 WeakPolarHBondContact CB-OE2 3.29Å; T744-E823 WeakPolarHBondContact CG2-OE2 3.39Å; T744-E823 VanDerWaalsContact OG1-CD 3.29Å; T744-E823 PolarHBondContact OG1-OE1 3.47Å; T744-E823 PolarHBondContact OG1-OE2 2.73Å; M746-E823 HydrophobicContact CB-CG 4.19Å; M746-E823 HydrophobicContact CG-CG 3.85Å; M746-E823 WeakPolarHBondContact CG-OE1 3.4Å; F748-E823 HydrophobicContact CD2-CB 4.49Å; F748-E823 WeakPolarHBondContact CD2-OE2 3.17Å; F748-E823 HydrophobicContact CE2-CB 4.5Å; E823-P825 WeakPolarHBondContact O-CD 3.16Å; E823-F881 VanDerWaalsContact C-CE2 3.41Å; E823-F881 VanDerWaalsContact O-CZ 3.31Å; E823-F881 WeakPolarHBondContact O-CZ 3.31Å
824H57Low47.4Very low66 Ų6685.3 Ų85.331%0.30642%0.419SS..  trans-77.7122.3-170-115.2-62.7000111.8L822 D826 F881 S883L822-H824 PolarHBondContact O-N 2.82Å; H824-D826 IonicContact CE1-OD1 2.7Å; H824-D826 PolarHBondContact CE1-OD1 2.75Å; H824-D826 IonicContact CG-OD1 3.77Å; H824-D826 IonicContact ND1-OD1 2.78Å; H824-D826 PolarHBondContact O-N 3.11Å; H824-F881 VanDerWaalsContact CA-CE2 3.4Å; H824-F881 VanDerWaalsContact CA-CZ 3.45Å; H824-F881 HydrophobicContact CB-CD2 4.5Å; H824-F881 HydrophobicContact CB-CE2 3.71Å; H824-F881 HydrophobicContact CB-CZ 4.04Å; H824-F881 AromaticContact CD2-CD2 3.22Å; H824-F881 WeakPolarHBondContact CD2-CD2 3.28Å; H824-F881 AromaticContact CD2-CE2 3.29Å; H824-F881 WeakPolarHBondContact CD2-CE2 3.42Å; H824-F881 AromaticContact CD2-CG 3.83Å; H824-F881 AromaticContact CD2-CZ 3.89Å; H824-F881 AromaticContact CG-CD2 3.76Å; H824-F881 AromaticContact CG-CE2 3.29Å; H824-F881 AromaticContact CG-CZ 3.55Å; H824-F881 AromaticContact ND1-CE1 3.76Å; H824-F881 AromaticContact ND1-CE2 3.79Å; H824-F881 AromaticContact ND1-CZ 3.57Å; H824-F881 AromaticContact NE2-CD1 3.91Å; H824-F881 AromaticContact NE2-CE1 3.92Å; H824-S883 PolarHBondContact NE2-OG 3.26Å
825P57.1Low46.3Very low11 Ų1184.9 Ų84.97%0.07142%0.417CS..  trans-81.541179.236.6-38.7000112.4Y713 H721 F722 E823 F827 M828Y713-P825 HydrophobicContact CE1-CB 4.43Å; H721-P825 WeakPolarHBondContact NE2-CD 3.42Å; F722-P825 HydrophobicContact CZ-CG 4.41Å; E823-P825 WeakPolarHBondContact O-CD 3.16Å; P825-F827 PolarHBondContact O-N 3.45Å; P825-M828 HydrophobicContact CB-CB 4.38Å; P825-M828 HydrophobicContact CB-CE 3.43Å; P825-M828 VanDerWaalsContact CB-CE 3.43Å; P825-M828 HydrophobicContact CB-CG 4.05Å; P825-M828 HydrophobicContact CG-CE 4.36Å; P825-M828 PolarHBondContact O-N 3.22Å
826D48.7Very low45.4Very low117 Ų11778.9 Ų78.963%0.62639%0.39SS*.THydrogen-bonded Turntrans-55.5-21.1174.1-57.6-28.5000111.7H824 M828H824-D826 IonicContact CE1-OD1 2.7Å; H824-D826 PolarHBondContact CE1-OD1 2.75Å; H824-D826 IonicContact CG-OD1 3.77Å; H824-D826 IonicContact ND1-OD1 2.78Å; H824-D826 PolarHBondContact O-N 3.11Å; D826-M828 VanDerWaalsContact C-N 3.31Å; D826-M828 PolarHBondContact O-N 2.96Å
827F52.5Low44.1Very low139 Ų13980.7 Ų80.761%0.6140%0.4SS*.THydrogen-bonded Turntrans-73.9-10.7174-53.5-73.2000114.9N678 P825N678-F827 PolarHBondContact ND2-O 3.48Å; P825-F827 PolarHBondContact O-N 3.45Å
828M51.6Low43.3Very low7 Ų780.7 Ų80.73%0.03440%0.396CS..THydrogen-bonded Turntrans-98.7-23.5-171.3-62.7-148.1-86.100115.1L680 Y713 T718 F722 P825 D826L680-M828 WeakPolarHBondContact CD1-O 3.31Å; L680-M828 HydrophobicContact CD2-CB 4.35Å; L680-M828 HydrophobicContact CD2-CG 3.98Å; L680-M828 HydrophobicContact CD2-SD 3.87Å; Y713-M828 HydrophobicContact CD1-CE 3.83Å; Y713-M828 HydrophobicContact CE1-CE 4.07Å; T718-M828 HydrophobicContact CG2-CE 3.97Å; T718-M828 HydrophobicContact CG2-SD 4.06Å; T718-M828 PolarHBondContact OG1-SD 3.19Å; F722-M828 HydrophobicContact CE2-CE 3.88Å; P825-M828 HydrophobicContact CB-CB 4.38Å; P825-M828 HydrophobicContact CB-CE 3.43Å; P825-M828 VanDerWaalsContact CB-CE 3.43Å; P825-M828 HydrophobicContact CB-CG 4.05Å; P825-M828 HydrophobicContact CG-CE 4.36Å; P825-M828 PolarHBondContact O-N 3.22Å; D826-M828 VanDerWaalsContact C-N 3.31Å; D826-M828 PolarHBondContact O-N 2.96Å
829R43.3Very low42.4Very low117 Ų11781.6 Ų81.644%0.44241%0.405SS..  trans-90134.9174.9-70.3-178.4170.7-163.9-8.2111.2S887R829-S887 PolarHBondContact NH1-OG 2.65Å; R829-S887 PolarHBondContact NH2-OG 3.06Å
830E35Very low41.3Very low44 Ų4480.8 Ų80.821%0.20641%0.414CS..  trans-107.6146.9158.8-68.8-163.8-179.800109.5S645 F647 P832S645-E830 VanDerWaalsContact CB-CD 3.46Å; S645-E830 WeakPolarHBondContact CB-OE1 3.48Å; S645-E830 VanDerWaalsContact CB-OE2 3.28Å; S645-E830 WeakPolarHBondContact CB-OE2 3.37Å; S645-E830 PolarHBondContact OG-OE1 3.32Å; S645-E830 VanDerWaalsContact OG-OE1 3.05Å; S645-E830 PolarHBondContact OG-OE2 2.92Å; F647-E830 HydrophobicContact CD2-CG 4.29Å; F647-E830 WeakPolarHBondContact CD2-OE1 3.46Å; F647-E830 HydrophobicContact CE1-CG 4.49Å; F647-E830 HydrophobicContact CE2-CG 3.7Å; F647-E830 WeakPolarHBondContact CE2-OE1 3.48Å; F647-E830 HydrophobicContact CZ-CB 4.42Å; F647-E830 HydrophobicContact CZ-CG 3.81Å; E830-P832 WeakPolarHBondContact O-CD 3.49Å
831H30.3Very low39.8Very low168 Ų16887.9 Ų87.978%0.77846%0.457SS*.  trans-109.5103.2175-67.3-88.8000110.4
832P26.4Very low38.4Very low33 Ų3386.2 Ų86.221%0.21446%0.458CS..  trans-133.893169.734.6-15.7000111.6Y610 K618 E830Y610-P832 HydrophobicContact CE2-CB 4.37Å; Y610-P832 WeakPolarHBondContact OH-CB 3.16Å; Y610-P832 WeakPolarHBondContact OH-CG 3.36Å; K618-P832 PolarHBondContact NZ-O 2.86Å; E830-P832 WeakPolarHBondContact O-CD 3.49Å
833F29.3Very low37Very low63 Ų6389.6 Ų89.628%0.27648%0.481SS..SBend-179.7-15.2129.6-111-78.6000113.6H585 M615 E835H585-F833 AromaticContact CD2-CZ 3.82Å; M615-F833 HydrophobicContact CE-CZ 4.27Å; F833-E835 PolarHBondContact O-N 3Å; F833-E835 VanDerWaalsContact O-N 3.08Å
834T26.5Very low35.2Very low99 Ų9992.4 Ų92.461%0.60750%0.503SS*.  trans-8548.5-170.956.70000115.8L890T834-L890 HydrophobicContact CG2-CB 4.39Å; T834-L890 VanDerWaalsContact CG2-O 3.27Å; T834-L890 WeakPolarHBondContact CG2-O 3.41Å
835E26.7Very low33.9Very low175 Ų17593.6 Ų93.682%0.81852%0.517SS*.  trans-143.477.5166.8-76.8-167.1166.800110.5F833F833-E835 PolarHBondContact O-N 3Å; F833-E835 VanDerWaalsContact O-N 3.08Å
836L30.4Very low32.3Very low43 Ų4397.9 Ų97.923%0.22555%0.547CS..  trans-14731.6178.8-107.8-179.9000116K541 Q574 L577K541-L836 PolarHBondContact NZ-O 3.23Å; K541-L836 VanDerWaalsContact NZ-O 3.11Å; Q574-L836 HydrophobicContact CG-CD2 4.27Å; L577-L836 HydrophobicContact CD1-CD1 4.31Å
837D28.3Very low31.3Very low96 Ų9699.3 Ų99.351%0.51355%0.553SS.*SBendtrans-158.892.7159.4-93.5-31.2000111.2K541K541-D837 WeakPolarHBondContact CE-OD1 3.47Å; K541-D837 IonicContact NZ-OD1 3.3Å; K541-D837 PolarHBondContact NZ-OD1 3.4Å; K541-D837 IonicContact NZ-OD2 2.7Å; K541-D837 PolarHBondContact NZ-OD2 3Å
838E28.7Very low29.9Very low148 Ų14897.3 Ų97.369%0.69256%0.556SS**  trans-179.3156.7138.9-102.1-179.6-168.900111.2
839D30.7Very low28.5Very low167 Ų167104.1 Ų104.189%0.89359%0.587SS**  trans-74.9162.1-167.5-59.8-68.4000114.6
840G27.7Very low27.5Very low71 Ų71107.7 Ų107.773%0.73260%0.601SS**  cis146.441.40.800000115.9
841V27.4Very low27Very low152 Ų152112.5 Ų112.592%0.92163%0.627SS**  trans-135.3140.2-176.7-174.40000115.3
842A27.5Very low26.6Very low58 Ų58109.2 Ų109.248%0.47962%0.624SS.*  trans-150.9175.7173.800000108.6G1627A842-G1627 WeakPolarHBondContact CB-O 3.23Å
843P30Very low26.5Very low89 Ų89112.5 Ų112.558%0.57865%0.647SS**  cis-122.5-175.60.345-29.6000114G1627P843-G1627 WeakPolarHBondContact CB-O 3.3Å
844S25Very low26.3Very low78 Ų78114.2 Ų114.255%0.54567%0.667SS.*  cis-157.8155.721.6-41.90000113.3G1628 L1629S844-G1628 CarbonylContact C-O 3.53Å; S844-G1628 VanDerWaalsContact C-O 3.29Å; S844-G1628 WeakPolarHBondContact CA-O 3.49Å; S844-L1629 VanDerWaalsContact O-CB 3.3Å; S844-L1629 WeakPolarHBondContact O-CB 3.47Å; S844-L1629 WeakPolarHBondContact O-CD1 3.44Å; S844-L1629 WeakPolarHBondContact O-CG 3.35Å
845P28.7Very low26.3Very low91 Ų91115.1 Ų115.159%0.59167%0.668SS**  trans-88.3158.2-168.435.6-39.2000118.2L1629P845-L1629 HydrophobicContact CB-CG 4.48Å
846S24.2Very low26.3Very low100 Ų100113.8 Ų113.870%0.69966%0.66SS**  trans170.3170.7131.353.10000115.5
847I26.7Very low26.1Very low147 Ų147119.4 Ų119.475%0.75468%0.682SS**  trans60.587.1166.4-43.8179.6000115.8
848S22.5Very low26Very low97 Ų97121.1 Ų121.168%0.67869%0.69SS**  66.1123.258.895.70000116.6
849H24.1Very low25.9Very low150 Ų150122.4 Ų122.469%0.69469%0.693SS**  trans75.6117.1160.2-82.2-44.1000121.7
850R22Very low25.7Very low192 Ų192118.5 Ų118.573%0.72568%0.679SS**  89.4116.7129.5-71.5176.4-138.2-152.22.5120.5
851L23Very low25.6Very low145 Ų145120.5 Ų120.576%0.75967%0.673SS**  70.9111.7125.9-65.2169.3000118.8
852S22.6Very low25.8Very low100 Ų100121 Ų12170%0.69967%0.665SS**  80.4136.2125.967.10000120.6
853S23.9Very low25.8Very low101 Ų101124.3 Ų124.371%0.70668%0.675SS**  trans70.2111.2144.652.70000120
854S25.2Very low25.7Very low99 Ų99126.5 Ų126.569%0.69268%0.682SS**  80.498.8126.263.50000120.7
855D26Very low25.8Very low118 Ų118130.7 Ų130.763%0.63169%0.692SS**  51.9104.794.7178.437.9000116.9
856K27.4Very low25.7Very low148 Ų148134.4 Ų134.464%0.64370%0.696SS**  177.4119.2113.5-93.6164.6-164.667.20116.2
857K26.6Very low25.8Very low160 Ų160137.9 Ų137.970%0.69670%0.695SS**  76.7142.5119.7-75.6-178.6174.2-168.40124.1
858I25.8Very low25.8Very low132 Ų132134.5 Ų134.568%0.67768%0.684SS**  trans76.6134.2135.5-75.5172.9000115.7
859K26.9Very low26Very low176 Ų176134.9 Ų134.977%0.76569%0.687SS**  cis-167.41773.1-116.3-176.7-165.5-170.90108.1
860S26Very low26Very low84 Ų84133.6 Ų133.659%0.58769%0.685SS**  cis-176.3154.34.234.10000111.1
861N26.7Very low26.1Very low113 Ų113129.5 Ų129.560%0.60468%0.681SS**  trans67.5158.3146.2-6832.8000117.8
862E30.8Very low26.2Very low164 Ų164127.7 Ų127.777%0.76668%0.676SS**  cis-155144.75-133.3152.7-97.900108.3
863D27.5Very low26.2Very low127 Ų127130.2 Ų130.268%0.67968%0.677SS**  cis-162-143.3-31-96.9-5.7000106.6
864D27.9Very low26.2Very low135 Ų135131.2 Ų131.272%0.72267%0.67SS**  trans58.399.7169.5-71.2-1.1000120.6
865H27.7Very low26.2Very low166 Ų166133 Ų13377%0.76967%0.666SS**  93.3140.779.2-79.219.5000113.8
866Y25.8Very low26Very low168 Ų168136.7 Ų136.766%0.65967%0.671SS**  cis-150.1126.520.3-169.3-99.7000113.7
867Y27.5Very low25.8Very low173 Ų173137.3 Ų137.368%0.67868%0.676SS**  trans67.9125.3162.2-80-128.7000118.4
868S25.9Very low25.6Very low76 Ų76132 Ų13253%0.53166%0.657SS.*  cis78140.149.8-176.20000110.7D870S868-D870 PolarHBondContact OG-OD2 3.08Å
869S25.6Very low25.6Very low105 Ų105127.6 Ų127.673%0.73464%0.644SS**  cis-158.316228.40.30000110.8
870D25Very low25.4Very low123 Ų123122.8 Ų122.866%0.65863%0.626SS**  cis-168.8173.9-22.7-121.7-49.5000111.1S868S868-D870 PolarHBondContact OG-OD2 3.08Å
871V24.5Very low25.3Very low106 Ų106119.9 Ų119.964%0.64260%0.603SS**  trans44.192.5150.1177.40000116.3
872T24.5Very low25.1Very low107 Ų107117.6 Ų117.666%0.65659%0.591SS**  61.3157.567.181.10000115.3
873E23.2Very low24.8Very low154 Ų154113.4 Ų113.472%0.7258%0.58SS**  trans71.3136.4166.2-71.5-175-15700115.4
874Q24Very low24.5Very low121 Ų121110.1 Ų110.157%0.56557%0.57SS**  cis-166.4153.520.7-124.1168.547.800111.3
875K23.9Very low24.3Very low137 Ų137108.4 Ų108.460%0.59656%0.556SS**  trans65.7125.3142.7-73.9162.5-170.3163.10121.6
876R22.9Very low24.1Very low195 Ų195104.5 Ų104.574%0.73654%0.541SS*.  trans81.7107.8137.2-62.8159.3-177.3167-5.2120.5
877H23.7Very low23.9Very low161 Ų161100.1 Ų100.175%0.74554%0.535SS*.  trans62.3163.5134.5-65.2-74.1000120.4
878T22.5Very low23.7Very low49 Ų4995.7 Ų95.730%0.30153%0.526SS..  trans70.9140.2179.3900000111.8T819 L820 M821T819-T878 WeakPolarHBondContact CB-OG1 3.49Å; T819-T878 WeakPolarHBondContact CG2-OG1 3.02Å; L820-T878 WeakPolarHBondContact O-CB 3.28Å; M821-T878 HydrophobicContact CB-CG2 4.44Å; M821-T878 HydrophobicContact CG-CG2 3.25Å; M821-T878 HydrophobicContact SD-CG2 4.21Å
879G24.2Very low23.6Very low40 Ų4098.7 Ų98.741%0.41254%0.535SS..  74.9129.375.300000109L820L820-G879 WeakPolarHBondContact O-CA 3.39Å
880L23.9Very low23.6Very low74 Ų74100.8 Ų100.839%0.38754%0.537SS..  cis-129.3148.323.7-55.474000108.8Q790 L820 L822Q790-L880 VanDerWaalsContact CD-CD2 3.46Å; Q790-L880 HydrophobicContact CG-CD2 4.2Å; L820-L880 HydrophobicContact CB-CD1 3.73Å; L820-L880 HydrophobicContact CB-CD2 4Å; L820-L880 HydrophobicContact CB-CG 3.94Å; L820-L880 HydrophobicContact CD2-CD2 3.6Å; L820-L880 HydrophobicContact CD2-CG 4.28Å; L820-L880 HydrophobicContact CG-CD2 4.42Å; L822-L880 HydrophobicContact CD1-CB 3.94Å; L822-L880 HydrophobicContact CD1-CD2 3.67Å; L822-L880 HydrophobicContact CD1-CG 3.73Å; L822-L880 HydrophobicContact CG-CD2 4.34Å; L822-L880 HydrophobicContact CG-CG 4.1Å
881F22.6Very low23.5Very low23 Ų2397.9 Ų97.910%0.10153%0.53CS..  49.1125.770.6-92.1-74.3000114.7H721 L822 E823 H824H721-F881 AromaticContact CE1-CE1 3.93Å; H721-F881 AromaticContact NE2-CE1 3.42Å; H721-F881 WeakPolarHBondContact NE2-CE1 3.18Å; H721-F881 AromaticContact NE2-CZ 3.53Å; L822-F881 HydrophobicContact CB-CB 4.25Å; L822-F881 HydrophobicContact CB-CD2 3.3Å; L822-F881 HydrophobicContact CB-CE2 3.77Å; L822-F881 HydrophobicContact CB-CG 4.08Å; L822-F881 HydrophobicContact CD1-CB 3.71Å; L822-F881 HydrophobicContact CD1-CD2 4.27Å; L822-F881 HydrophobicContact CD1-CG 4.24Å; L822-F881 HydrophobicContact CG-CD2 4.44Å; E823-F881 VanDerWaalsContact C-CE2 3.41Å; E823-F881 VanDerWaalsContact O-CZ 3.31Å; E823-F881 WeakPolarHBondContact O-CZ 3.31Å; H824-F881 VanDerWaalsContact CA-CE2 3.4Å; H824-F881 VanDerWaalsContact CA-CZ 3.45Å; H824-F881 HydrophobicContact CB-CD2 4.5Å; H824-F881 HydrophobicContact CB-CE2 3.71Å; H824-F881 HydrophobicContact CB-CZ 4.04Å; H824-F881 AromaticContact CD2-CD2 3.22Å; H824-F881 WeakPolarHBondContact CD2-CD2 3.28Å; H824-F881 AromaticContact CD2-CE2 3.29Å; H824-F881 WeakPolarHBondContact CD2-CE2 3.42Å; H824-F881 AromaticContact CD2-CG 3.83Å; H824-F881 AromaticContact CD2-CZ 3.89Å; H824-F881 AromaticContact CG-CD2 3.76Å; H824-F881 AromaticContact CG-CE2 3.29Å; H824-F881 AromaticContact CG-CZ 3.55Å; H824-F881 AromaticContact ND1-CE1 3.76Å; H824-F881 AromaticContact ND1-CE2 3.79Å; H824-F881 AromaticContact ND1-CZ 3.57Å; H824-F881 AromaticContact NE2-CD1 3.91Å; H824-F881 AromaticContact NE2-CE1 3.92Å
882N24.1Very low23.5Very low66 Ų6698.3 Ų98.335%0.35353%0.525SS..  cis-132.4147.335.3-75.4-38.4000116Q756 Q757 Q790 Y792Q756-N882 PolarHBondContact O-ND2 2.93Å; Q756-N882 PolarHBondContact O-OD1 3.14Å; Q757-N882 PolarHBondContact NE2-OD1 3.14Å; Q757-N882 PolarHBondContact OE1-OD1 3.38Å; Q790-N882 PolarHBondContact NE2-ND2 2.79Å; Y792-N882 PolarHBondContact OH-ND2 2.92Å
883S22.9Very low23.6Very low75 Ų7598.5 Ų98.552%0.52453%0.526SS..  trans-131.5112.4171.556.60000108.8H824H824-S883 PolarHBondContact NE2-OG 3.26Å
884A22.6Very low23.8Very low59 Ų5993.3 Ų93.349%0.48850%0.502SS..  trans-150.5136.8177.600000109.7
885F23.6Very low23.9Very low98 Ų9892.6 Ų92.643%0.4350%0.502SS..SBendtrans55.7128.3177.6-59.9-81.1000117.1F722 A970F722-F885 VanDerWaalsContact O-CE2 3.24Å; F722-F885 WeakPolarHBondContact O-CE2 3.4Å; F722-F885 WeakPolarHBondContact O-CZ 3.14Å; F885-A970 HydrophobicContact CB-CB 4.21Å; F885-A970 HydrophobicContact CD1-CB 3.39Å; F885-A970 HydrophobicContact CE1-CB 3.83Å; F885-A970 HydrophobicContact CG-CB 3.81Å
886D23.9Very low24Very low84 Ų8486.5 Ų86.545%0.44948%0.476SS..  cis-130.8162.6-7.2-136.7-37.4000111.6
887S21.3Very low24.2Very low76 Ų7679.5 Ų79.553%0.53145%0.453SS..  trans-146.541.2-167.9-56.50000114.1R829R829-S887 PolarHBondContact NH1-OG 2.65Å; R829-S887 PolarHBondContact NH2-OG 3.06Å
888T22Very low24.5Very low80 Ų8077.3 Ų77.349%0.49145%0.446SS..  trans-113.3173171.452.60000110.7
889I25.5Very low24.7Very low140 Ų14079.1 Ų79.172%0.71845%0.447SS*.  trans60.254179.3-39169.2000114.4
890L24Very low24.9Very low149 Ų14979.6 Ų79.678%0.7845%0.452SS*.  trans-129.369.2156.3-81.3-179.8000111.3T834T834-L890 HydrophobicContact CG2-CB 4.39Å; T834-L890 VanDerWaalsContact CG2-O 3.27Å; T834-L890 WeakPolarHBondContact CG2-O 3.41Å
891A23.1Very low25.1Very low61 Ų6184.3 Ų84.350%0.50447%0.472SS..  trans-149.9160.7163.400000109.1
892E25.3Very low25.2Very low116 Ų11689 Ų8954%0.54250%0.496SS..  trans67.585.6168.8-54.1-174.7-176.600117.8H585 Q619H585-E892 IonicContact CE1-OE1 2.68Å; Q619-E892 PolarHBondContact NE2-OE1 3.17Å
893T27.4Very low25.3Very low111 Ų11189.7 Ų89.768%0.68150%0.497SS*.  179.2106.9106.130.60000112.7N895 D1495T893-N895 PolarHBondContact O-N 3.42Å; T893-N895 PolarHBondContact O-ND2 3.46Å; T893-D1495 WeakPolarHBondContact CA-OD2 3.34Å
894E26.9Very low25.4Very low45 Ų4595.9 Ų95.921%0.2151%0.51CS..  trans-7523.6-174.7-53.3-174.512700115.3K541 K551 V1494 D1495K541-E894 VanDerWaalsContact NZ-CD 3.31Å; K541-E894 IonicContact NZ-OE1 3.24Å; K541-E894 PolarHBondContact NZ-OE1 3.07Å; K541-E894 IonicContact NZ-OE2 2.81Å; K551-E894 IonicContact NZ-OE2 3.85Å; K551-E894 PolarHBondContact NZ-OE2 2.93Å; E894-V1494 CarbonylContact O-C 3.46Å; E894-V1494 VanDerWaalsContact O-C 3.25Å; E894-V1494 VanDerWaalsContact O-CA 3.3Å; E894-V1494 WeakPolarHBondContact O-CA 3.03Å; E894-V1494 PolarHBondContact O-N 2.69Å; E894-D1495 HydrophobicContact CB-CB 3.77Å; E894-D1495 PolarHBondContact N-OD2 2.88Å; E894-D1495 PolarHBondContact O-N 3.35Å
895N25.2Very low25.5Very low106 Ų106101.7 Ų101.757%0.56753%0.529SS*.  trans54.371.6170.9-80.3-121.4000115.4T893T893-N895 PolarHBondContact O-N 3.42Å; T893-N895 PolarHBondContact O-ND2 3.46Å
896D25.6Very low25.6Very low8 Ų8102.3 Ų102.34%0.04353%0.533CS..  trans-76.7-72.9-178-172.8-66.6000116.6K518 R552 I898 V1494 D1495 H1496K518-D896 IonicContact NZ-OD1 2.72Å; K518-D896 PolarHBondContact NZ-OD1 3.01Å; K518-D896 IonicContact NZ-OD2 2.68Å; K518-D896 PolarHBondContact NZ-OD2 3Å; R552-D896 IonicContact CZ-OD1 2.61Å; R552-D896 IonicContact CZ-OD2 2.65Å; R552-D896 IonicContact NH1-OD1 3.82Å; R552-D896 IonicContact NH1-OD2 2.73Å; R552-D896 IonicContact NH2-OD1 3.77Å; R552-D896 PolarHBondContact NH2-OD1 3.32Å; R552-D896 IonicContact NH2-OD2 2.7Å; D896-I898 PolarHBondContact O-N 3.25Å; D896-V1494 HydrophobicContact CB-CG1 4.38Å; D896-V1494 WeakPolarHBondContact OD2-CG1 3.49Å; D896-D1495 HydrophobicContact CB-CB 3.78Å; D896-D1495 VanDerWaalsContact OD2-C 3.31Å; D896-H1496 IonicContact OD2-CE1 2.65Å; D896-H1496 PolarHBondContact OD2-CE1 3.38Å; D896-H1496 VanDerWaalsContact OD2-CE1 3.3Å; D896-H1496 IonicContact OD2-CG 3.92Å; D896-H1496 IonicContact OD2-ND1 3.14Å; D896-H1496 PolarHBondContact OD2-ND1 2.83Å
897D28.7Very low25.6Very low48 Ų48102.9 Ų102.926%0.25754%0.544SS..G310 helixtrans-82.623.1-135.4-83.6-79.6000114.9R552 W899 G900 Y1497R552-D897 IonicContact CZ-OD1 3.49Å; R552-D897 VanDerWaalsContact CZ-OD1 3.29Å; R552-D897 IonicContact CZ-OD2 2.88Å; R552-D897 IonicContact NH1-OD1 3.88Å; R552-D897 PolarHBondContact NH1-OD1 2.86Å; R552-D897 IonicContact NH1-OD2 2.68Å; R552-D897 PolarHBondContact NH1-OD2 2.92Å; R552-D897 IonicContact NH2-OD1 3.14Å; R552-D897 PolarHBondContact NH2-OD1 3.3Å; R552-D897 IonicContact NH2-OD2 3.72Å; D897-W899 PolarHBondContact O-N 2.9Å; D897-G900 PolarHBondContact O-N 3.19Å; D897-Y1497 PolarHBondContact OD1-OH 3.1Å
898I28.9Very low25.6Very low115 Ų115105.2 Ų105.259%0.5956%0.555SS**G310 helixtrans-63.5-21.7-176.5-59.1175.5000112.4D896D896-I898 PolarHBondContact O-N 3.25Å
899W26.7Very low25.8Very low88 Ų88109.2 Ų109.233%0.33357%0.572SS.*G310 helixtrans-85.4-10.4179.9-83.3110.7000115.4D475 Q477 D897D475-W899 HydrophobicContact CB-CH2 3.83Å; D475-W899 HydrophobicContact CB-CZ2 3.79Å; Q477-W899 VanDerWaalsContact CD-CZ3 3.48Å; Q477-W899 HydrophobicContact CG-CH2 4.49Å; D897-W899 PolarHBondContact O-N 2.9Å
900G29.1Very low25.7Very low49 Ų49107.4 Ų107.451%0.50557%0.572SS.*THydrogen-bonded Turntrans-95.6-20.9-175.100000116.3D897D897-G900 PolarHBondContact O-N 3.19Å
901Q27.1Very low25.9Very low173 Ų173105.3 Ų105.381%0.80857%0.568SS**  trans-111.336-162.7-61.4-173.9-5.700114.7
902M26Very low25.9Very low122 Ų122108.6 Ų108.660%0.60157%0.573SS**  trans-113.612.9177.2-72.5-169.268.800114.9
903E24.8Very low26Very low80 Ų80103.6 Ų103.637%0.37455%0.552SS.*  trans-82.4166.3157.9-62.4-165.4152.200109.7R454R454-E903 IonicContact CZ-OE2 3.54Å; R454-E903 IonicContact NH2-OE1 4Å; R454-E903 IonicContact NH2-OE2 2.74Å; R454-E903 PolarHBondContact NH2-OE2 3.38Å
904Y26.4Very low26Very low205 Ų20599.2 Ų99.280%0.80453%0.525SS*.  trans68.538.6-172.8-63.7-83.8000117.9H906Y904-H906 HydrophobicContact CD1-CB 4.17Å; Y904-H906 PolarHBondContact O-N 3.38Å
905M24.1Very low25.9Very low181 Ų181102.8 Ų102.889%0.89255%0.545SS*.  trans-72.471.7135.7-90.1-171.661.500109.7
906H24.9Very low25.9Very low111 Ų111101.4 Ų101.451%0.51454%0.544SS..  trans-132.2141.2177.3-99.4-98.7000112.2Y904Y904-H906 HydrophobicContact CD1-CB 4.17Å; Y904-H906 PolarHBondContact O-N 3.38Å
907S24.2Very low25.8Very low97 Ų97105.9 Ų105.968%0.67857%0.568SS**  trans55.269.2156.7-53.40000118.4
908T22.8Very low25.7Very low125 Ų125113 Ų11377%0.76759%0.591SS**SBendtrans-64133.2130.342.60000108.9
909L24.6Very low25.6Very low163 Ų163113.9 Ų113.985%0.85360%0.595SS**  trans7594169.5-51.8130.3000118.6
910S24.3Very low25.4Very low102 Ų102115.6 Ų115.671%0.71362%0.616SS**  trans-162.6139.4151.8-790000110.9
911P27.1Very low25.2Very low106 Ų106117.3 Ų117.369%0.68862%0.62SS**  trans-141.5126.4175.937.5-19.1000118
912Q24.6Very low25.2Very low130 Ų130116.7 Ų116.761%0.60762%0.617SS**  trans174.2-166.7151.4-93.9147.926.300109.9E1878Q912-E1878 VanDerWaalsContact C-OE2 3.31Å; Q912-E1878 PolarHBondContact N-OE1 3.37Å
913G27.5Very low25.1Very low10 Ų10120 Ų12010%0.10363%0.628CS.*  trans154.9-119.9174.700000119.3E1878G913-E1878 WeakPolarHBondContact CA-O 3.47Å
914T26.6Very low25.2Very low20 Ų20119.2 Ų119.212%0.12364%0.642CS.*  trans86.8146.8164.3107.30000123V1710 V1711 W1881T914-V1710 WeakPolarHBondContact CG2-O 3.45Å; T914-V1711 WeakPolarHBondContact OG1-CA 3.37Å; T914-V1711 WeakPolarHBondContact OG1-CB 3.13Å; T914-V1711 VanDerWaalsContact OG1-CG1 3.25Å; T914-V1711 WeakPolarHBondContact OG1-CG1 3.01Å; T914-V1711 WeakPolarHBondContact OG1-CG2 3.4Å; T914-W1881 HydrophobicContact CG2-CH2 4.3Å; T914-W1881 HydrophobicContact CG2-CZ2 3.21Å
915L25Very low25.1Very low119 Ų119117 Ų11762%0.62364%0.644SS**  trans-178.1127.8130.1-107163.8000115.9V1711L915-V1711 HydrophobicContact CD1-CG1 4.33Å; L915-V1711 HydrophobicContact CD2-CG2 3.97Å; L915-V1711 HydrophobicContact CG-CG1 4.05Å; L915-V1711 HydrophobicContact CG-CG2 4.11Å
916S24.6Very low25.1Very low77 Ų77116.1 Ų116.154%0.53864%0.638SS.*  trans69.2154.4142.179.90000120.3
917D24.6Very low25Very low102 Ų102117 Ų11755%0.54565%0.646SS.*  cis-165.5158.4-4.9-131.5-17000114.6
918R25.7Very low25Very low198 Ų198118.7 Ų118.775%0.74765%0.653SS**  trans86.2127.7142-77.9164.3-146.2-168.310.9126.7
919I26.4Very low25Very low133 Ų133119.6 Ų119.668%0.68265%0.653SS**  trans82.596.8138.6-66.4165.7000117.2
920T23.9Very low25Very low124 Ų124119.2 Ų119.276%0.76165%0.647SS**  67.4139.668.272.50000114.8
921S24.8Very low25Very low86 Ų86122.1 Ų122.160%0.60165%0.647SS**  cis-172172.51359.30000113
922Q26.1Very low24.9Very low160 Ų160124.6 Ų124.675%0.74865%0.653SS**  trans70.4159.2153.2-73.3172.461.100118.1
923K24.7Very low25.2Very low190 Ų190121.8 Ų121.883%0.82665%0.652SS**  cis177.9140.6-33.7-120.2-172.7-179.1-179.30108
924G25.5Very low25Very low65 Ų65126.2 Ų126.267%0.6768%0.677SS**  trans109.4146.2148.300000119.5
925D25.6Very low24.9Very low159 Ų159133.3 Ų133.385%0.8571%0.709SS**  trans58.4117151.4-46.5-10.3000118.3
926E23.2Very low25Very low161 Ų161133.5 Ų133.575%0.75272%0.715SS**  82.8120.560.9-89.6-157.6-148.500116.3
927N23.9Very low24.9Very low130 Ų130134.8 Ų134.870%0.69572%0.724SS**  trans67163.2151.1-75.3-58000119.7
928T23.5Very low25.3Very low133 Ų133135.3 Ų135.382%0.81674%0.736SS**  trans60.6107179.849.70000115.5
929N22.9Very low25.3Very low144 Ų144133.3 Ų133.377%0.7774%0.738SS**  45.6121.472.4-98.115.3000115.2
930E23.6Very low25.2Very low154 Ų154133 Ų13372%0.7274%0.737SS**  trans68.2132.5145.3-72.3-160.8111.800121.4
931F24.6Very low25.1Very low164 Ų164134 Ų13472%0.71973%0.733SS**  trans59.9107.7146.6-82.8-106.1000119.7
932I25.5Very low25Very low157 Ų157136.2 Ų136.281%0.80574%0.743SS**  -179.696.7106.3-86.1149.8000104.7
933A30Very low24.9Very low72 Ų72132.8 Ų132.860%0.59574%0.743SS**  58.5105.351.100000113.9
934T23.8Very low24.9Very low102 Ų102129 Ų12963%0.62674%0.74SS**  trans-165.2126.4148.5180000112.8
935Q25.4Very low25.2Very low169 Ų169130.5 Ų130.579%0.7974%0.738SS**  trans68.2131.7149.2-60.9167.159.100116.1
936T25.6Very low25.2Very low124 Ų124131.8 Ų131.876%0.76174%0.736SS**  cis-148.1162.17.848.20000110.5
937S24.1Very low25.2Very low104 Ų104128.8 Ų128.873%0.72773%0.733SS**  cis-170.9143.8-21-880000108.8
938S32.9Very low25.1Very low113 Ų113128 Ų12879%0.7973%0.733SS**  trans-90.7128.5172.2570000112.3
939I25Very low25.3Very low155 Ų155130.1 Ų130.180%0.79573%0.733SS**  trans-175.1133.7172.5-99.6143000105.7
940L24Very low25.3Very low126 Ų126130 Ų13066%0.6673%0.732SS**  cis-154.6157.83.7-152.572.8000112.2
941E22.9Very low25.3Very low146 Ų146128.5 Ų128.568%0.68273%0.734SS**  trans47.6102144.2-83.6162.7-15400124.6
942T22.5Very low25.2Very low132 Ų132129.1 Ų129.181%0.8174%0.739SS**  69.6164.6121.964.40000123.2
943A23.4Very low25.1Very low89 Ų89127.5 Ų127.574%0.73674%0.736SS**  trans81.367.6159.700000119.4
944S24.3Very low24.8Very low110 Ų110132.2 Ų132.277%0.76975%0.746SS**  trans-33.4173.7130.760.90000116.5
945P33.2Very low24.8Very low97 Ų97136.4 Ų136.463%0.6376%0.761SS**  cis-136.5-152.4-36.134.5-13.8000110.7
946K24.6Very low24.8Very low185 Ų185138.6 Ų138.680%0.80477%0.768SS**  trans109.7141.7159.2-62.1151.9-169.8162.60114.3
947S23.5Very low24.8Very low99 Ų99135.9 Ų135.969%0.69276%0.764SS**  cis-165.7134-11.846.40000113.5
948V22.8Very low24.9Very low114 Ų114138.5 Ų138.569%0.69177%0.765SS**  43.7111.2129.4-168.80000117.4
949H27.6Very low24.7Very low177 Ų177138.7 Ų138.782%0.81977%0.767SS**  -157.8149.4104.8-10380.4000112.1
950N22.5Very low24.8Very low140 Ų140134.7 Ų134.775%0.74976%0.763SS**  trans-70.2162.6167.8-50.7-34.2000108.5
951T22.5Very low24.8Very low124 Ų124136.9 Ų136.976%0.76177%0.77SS**  cis-164.3166.239.4-38.90000110.1
952E22.2Very low25Very low176 Ų176135.1 Ų135.182%0.82277%0.771SS**  trans82.1126.2165.7-50.9-169.5153.800118.2
953V23.7Very low25Very low124 Ų124133.7 Ų133.775%0.75276%0.759SS**SBendtrans73.6135.3163.4-170.30000119.7
954Q24Very low25.2Very low170 Ų170132.2 Ų132.279%0.79475%0.752SS**  trans54.873.3163.5-75.8163.8-59.300120.8
955M24.7Very low25.2Very low191 Ų191133 Ų13394%0.94175%0.748SS**  17.5115.4126.7-67.9179.115700119.5
956F24.7Very low25.1Very low214 Ų214132.8 Ų132.894%0.93973%0.734SS**  trans-131.9146.1154.5-93.5-97.4000109.2
957G25.5Very low25.1Very low67 Ų67130.1 Ų130.169%0.69173%0.729SS**  trans165.2100173.700000114.9S959G957-S959 PolarHBondContact O-N 3.13Å
958E27Very low25.1Very low160 Ų160132.9 Ų132.975%0.74874%0.735SS**SBendtrans57.143.1166.4-60.5-165.5-164.500118.7K1901E958-K1901 IonicContact OE1-NZ 3.52Å; E958-K1901 WeakPolarHBondContact OE2-CE 3.48Å; E958-K1901 IonicContact OE2-NZ 3.85Å; E958-K1901 PolarHBondContact OE2-NZ 3.17Å
959S28.5Very low25.1Very low117 Ų117135.6 Ų135.682%0.81874%0.74SS**  trans-163.3110.4156.458.10000111.4G957G957-S959 PolarHBondContact O-N 3.13Å
960G25.8Very low24.9Very low70 Ų70129.2 Ų129.272%0.72272%0.719SS**  trans167.9164175.300000114
961Q25.8Very low24.9Very low173 Ų173128.7 Ų128.781%0.80872%0.716SS**  cis-92.31574.3-75.8177.4-13000114.3D963Q961-D963 VanDerWaalsContact CB-OD2 3.3Å; Q961-D963 WeakPolarHBondContact CB-OD2 3.23Å
962P25.6Very low25.1Very low108 Ų108126.8 Ų126.870%0.70170%0.701SS**  trans-126.642.7-158.638.4-17.2000112.1G964P962-G964 PolarHBondContact O-N 3.39Å; P962-G964 VanDerWaalsContact O-N 3.07Å
963D24.1Very low25.3Very low102 Ų102123.9 Ų123.955%0.54569%0.689SS.*  trans-81.798.3-156.4-53-52.7000112Q961 D965Q961-D963 VanDerWaalsContact CB-OD2 3.3Å; Q961-D963 WeakPolarHBondContact CB-OD2 3.23Å; D963-D965 PolarHBondContact O-N 3.03Å
964G26.6Very low25.4Very low58 Ų58121 Ų12160%0.59868%0.678SS**  trans-86.682.6167.300000109.6P962 W966P962-G964 PolarHBondContact O-N 3.39Å; P962-G964 VanDerWaalsContact O-N 3.07Å; G964-W966 VanDerWaalsContact C-N 3.35Å; G964-W966 PolarHBondContact O-N 3.2Å
965D25.1Very low25.6Very low127 Ų127113.6 Ų113.668%0.67964%0.644SS**SBendtrans-56.389.4-170.4-71.4-15.5000114.2D963 D967D963-D965 PolarHBondContact O-N 3.03Å; D965-D967 VanDerWaalsContact C-N 3.33Å
966W29.8Very low25.7Very low92 Ų92108.2 Ų108.235%0.34862%0.618SS.*  trans-102.821.2147.6-71.385.6000110.2G964 L968 V1021 P1051G964-W966 VanDerWaalsContact C-N 3.35Å; G964-W966 PolarHBondContact O-N 3.2Å; W966-L968 VanDerWaalsContact O-CD1 3.31Å; W966-L968 WeakPolarHBondContact O-CD1 3.36Å; W966-V1021 HydrophobicContact CH2-CB 3.6Å; W966-V1021 HydrophobicContact CH2-CG1 4.22Å; W966-V1021 HydrophobicContact CH2-CG2 3.57Å; W966-V1021 HydrophobicContact CZ2-CB 4.47Å; W966-V1021 HydrophobicContact CZ3-CB 4.24Å; W966-V1021 HydrophobicContact CZ3-CG2 3.76Å; W966-P1051 HydrophobicContact CB-CB 3.62Å; W966-P1051 HydrophobicContact CB-CG 3.89Å; W966-P1051 HydrophobicContact CD2-CB 3.98Å; W966-P1051 HydrophobicContact CD2-CG 3.86Å; W966-P1051 HydrophobicContact CE3-CB 4.39Å; W966-P1051 HydrophobicContact CE3-CG 3.75Å; W966-P1051 HydrophobicContact CG-CB 3.63Å; W966-P1051 HydrophobicContact CG-CG 3.94Å
967D24.1Very low25.8Very low129 Ų129106.7 Ų106.769%0.6961%0.612SS**  trans-65.2140.4-173.7-102.522000111.5D965 E969D965-D967 VanDerWaalsContact C-N 3.33Å; D967-E969 PolarHBondContact O-N 2.76Å
968L25.2Very low25.8Very low158 Ų158109.5 Ų109.583%0.82761%0.605SS**  trans-103.550-165.9-63.795.4000111.7W966W966-L968 VanDerWaalsContact O-CD1 3.31Å; W966-L968 WeakPolarHBondContact O-CD1 3.36Å
969E22Very low25.7Very low170 Ų170106.6 Ų106.679%0.79460%0.6SS**  trans-120.6168.8172.6-59.5-156.4149.800111.2D967D967-E969 PolarHBondContact O-N 2.76Å
970A23.6Very low25.8Very low44 Ų44106.6 Ų106.636%0.36459%0.589SS.*  trans-96.8-167.2-173.200000112.3F885F885-A970 HydrophobicContact CB-CB 4.21Å; F885-A970 HydrophobicContact CD1-CB 3.39Å; F885-A970 HydrophobicContact CE1-CB 3.83Å; F885-A970 HydrophobicContact CG-CB 3.81Å
971D21.8Very low25.8Very low128 Ų128104.9 Ų104.968%0.68457%0.566SS**  trans80175.5176.5-67.6-46.5000117.9
972N26.4Very low26Very low85 Ų8599.6 Ų99.646%0.45555%0.546SS..  trans-127.1153.1-144.4-63.8-99.3000113.9
973M27.2Very low26.2Very low114 Ų11496.1 Ų96.156%0.56253%0.53SS*.  trans71.9158.8174.7-52.7178.2-61.600114.4R1603M973-R1603 PolarHBondContact SD-NH1 3.46Å; M973-R1603 PolarHBondContact SD-NH2 2.68Å; M973-R1603 VanDerWaalsContact SD-NH2 3.39Å
974A25.4Very low27Very low63 Ų6397 Ų9752%0.52153%0.529SS..  cis-130.1-172.214.100000114.3E1562A974-E1562 WeakPolarHBondContact CB-OE2 3.37Å
975V27.9Very low28.1Very low16 Ų1695.3 Ų95.310%0.09751%0.506CS..  trans-145.696.4-141.9-145.40000113.8D1596 E1597V975-D1596 HydrophobicContact CB-CB 4.19Å; V975-D1596 HydrophobicContact CG1-CB 3.76Å; V975-D1596 VanDerWaalsContact CG2-C 3.5Å; V975-D1596 HydrophobicContact CG2-CB 3.61Å; V975-D1596 WeakPolarHBondContact CG2-O 3.17Å; V975-D1596 VanDerWaalsContact CG2-OD2 3.26Å; V975-D1596 WeakPolarHBondContact CG2-OD2 3.23Å; V975-E1597 HydrophobicContact CB-CG 4.02Å; V975-E1597 HydrophobicContact CG1-CG 3.82Å; V975-E1597 WeakPolarHBondContact O-CG 3.15Å
976I26.5Very low29.5Very low77 Ų7789.5 Ų89.540%0.39548%0.475SS..  trans-146.689.3160-69.2-164.4000108.7E1562 E1597I976-E1562 HydrophobicContact CD1-CB 4.26Å; I976-E1562 HydrophobicContact CD1-CG 4.12Å; I976-E1562 HydrophobicContact CG1-CG 4.39Å; I976-E1597 WeakPolarHBondContact CA-OE1 3.29Å
977K27.9Very low31.2Very low183 Ų18388 Ų8880%0.79648%0.479SS*.  trans167.9136.8160.9-99151.1-172.2170.50112.2E1597K977-E1597 PolarHBondContact N-OE1 3.17Å
978K24.5Very low33Very low125 Ų12586 Ų8654%0.54346%0.464SS..  trans-80.7133.4169.7-60173.172.8-176.30110.4I980 I1593K978-I980 PolarHBondContact O-N 2.96Å; K978-I1593 HydrophobicContact CD-CD1 3.95Å
979P26.6Very low35Very low100 Ų10083.6 Ų83.665%0.64945%0.451SS*.  trans-75.9120.517629.6-33.3000111.4S981 S1467P979-S981 PolarHBondContact O-N 3.43Å; P979-S1467 PolarHBondContact O-OG 2.82Å
980I29.2Very low37.1Very low117 Ų11775.8 Ų75.860%0.642%0.416SS*.  trans-75.1106.2172.1-60.8171.5000108K978 T982 P1466K978-I980 PolarHBondContact O-N 2.96Å; I980-T982 HydrophobicContact CG2-CG2 4.3Å; I980-T982 PolarHBondContact O-N 3.23Å; I980-P1466 HydrophobicContact CB-CB 4.34Å; I980-P1466 HydrophobicContact CG1-CB 4.03Å; I980-P1466 HydrophobicContact CG2-CB 3.92Å
981S26.2Very low39.3Very low33 Ų3376 Ų7623%0.23141%0.411CS..  trans-65.2111.1-177.485.50000112.2P979 S1467P979-S981 PolarHBondContact O-N 3.43Å; S981-S1467 PolarHBondContact N-OG 2.72Å; S981-S1467 VanDerWaalsContact N-OG 3.1Å; S981-S1467 WeakPolarHBondContact OG-CB 2.97Å
982T29.4Very low41.6Very low62 Ų6271.7 Ų71.738%0.3839%0.393SS..  trans-125.999.6168.759.90000107.1I980 F984 R1029I980-T982 HydrophobicContact CG2-CG2 4.3Å; I980-T982 PolarHBondContact O-N 3.23Å; T982-F984 PolarHBondContact O-N 3.2Å; T982-R1029 VanDerWaalsContact CG2-NH1 3.26Å
983G30.9Very low43.7Very low35 Ų3576.8 Ų76.836%0.36141%0.406SS..  trans-56.5131.3-166.100000113.7
984F40.9Very low45.9Very low122 Ų12272 Ų7254%0.53539%0.386SS..  trans-59144.5179.2-41.3-64000111.4T982 R1023T982-F984 PolarHBondContact O-N 3.2Å; F984-R1023 HydrophobicContact CD1-CG 4.4Å
985L50.1Low48.3Very low21 Ų2170.3 Ų70.311%0.1137%0.374CS..SBendtrans-84-41.9174.3-115.486.3000111.6Y1002 L1005 C1022 L1024L985-Y1002 HydrophobicContact CD1-CD2 4.45Å; L985-Y1002 HydrophobicContact CD1-CE2 4.17Å; L985-Y1002 HydrophobicContact CD2-CD2 3.39Å; L985-Y1002 HydrophobicContact CD2-CE2 3.81Å; L985-Y1002 HydrophobicContact CD2-CG 4.19Å; L985-Y1002 HydrophobicContact CG-CD2 3.89Å; L985-Y1002 HydrophobicContact CG-CE2 4.12Å; L985-L1005 HydrophobicContact CD2-CD2 3.56Å; L985-C1022 WeakPolarHBondContact CB-O 3.38Å; L985-C1022 PolarHBondContact N-O 2.7Å; L985-L1024 HydrophobicContact CD1-CB 3.98Å; L985-L1024 HydrophobicContact CD1-CD1 4.04Å; L985-L1024 HydrophobicContact CD1-CG 3.88Å; L985-L1024 HydrophobicContact CD2-CD1 3.66Å; L985-L1024 HydrophobicContact CD2-CG 3.68Å; L985-L1024 HydrophobicContact CG-CD1 4.5Å; L985-L1024 HydrophobicContact CG-CG 4.4Å
986V54Low50.8Low5 Ų573.4 Ų73.43%0.0339%0.39CS..EExtended strand (participates in β ladder)trans-146129.8-170.8171.30000107.5F988 I997 A999 L1005 V1021 C1022V986-F988 HydrophobicContact CB-CD2 4.45Å; V986-F988 HydrophobicContact CB-CE2 4.44Å; V986-F988 HydrophobicContact CG1-CD2 3.61Å; V986-F988 HydrophobicContact CG1-CE2 3.97Å; V986-I997 HydrophobicContact CG1-CG2 3.92Å; V986-A999 HydrophobicContact CG2-CB 3.3Å; V986-L1005 HydrophobicContact CG2-CD2 4.05Å; V986-V1021 WeakPolarHBondContact O-CA 3.39Å; V986-C1022 HydrophobicContact CB-CB 4.02Å; V986-C1022 HydrophobicContact CG1-CB 4.42Å; V986-C1022 PolarHBondContact N-O 2.81Å; V986-C1022 VanDerWaalsContact N-O 3.13Å; V986-C1022 PolarHBondContact O-N 3.38Å
987S64.6Low53.2Low62 Ų6270.2 Ų70.243%0.43437%0.374SS..EExtended strand (participates in β ladder)trans-151.999.9166.9171.20000107.7I1020S987-I1020 WeakPolarHBondContact CA-O 2.93Å
988F63Low55.4Low85 Ų8566 Ų6637%0.37336%0.357SS..EExtended strand (participates in β ladder)trans-134.4149.4-174.9-67.3-103.3000110.4V986 I997 Q998 R1019 I1020V986-F988 HydrophobicContact CB-CD2 4.45Å; V986-F988 HydrophobicContact CB-CE2 4.44Å; V986-F988 HydrophobicContact CG1-CD2 3.61Å; V986-F988 HydrophobicContact CG1-CE2 3.97Å; F988-I997 HydrophobicContact CB-CD1 4.28Å; F988-I997 HydrophobicContact CB-CG1 4.41Å; F988-I997 HydrophobicContact CB-CG2 3.96Å; F988-I997 HydrophobicContact CD1-CG2 4.29Å; F988-I997 HydrophobicContact CD2-CG2 3.38Å; F988-I997 HydrophobicContact CE2-CG2 3.81Å; F988-I997 HydrophobicContact CG-CG2 3.64Å; F988-I997 HydrophobicContact CZ-CG2 4.41Å; F988-Q998 WeakPolarHBondContact CZ-O 3.16Å; F988-R1019 CarbonylContact O-C 3.56Å; F988-R1019 WeakPolarHBondContact O-CA 3.49Å; F988-I1020 PolarHBondContact N-O 3.49Å; F988-I1020 VanDerWaalsContact N-O 3.08Å; F988-I1020 PolarHBondContact O-N 2.87Å
989I67.7Low57.5Low108 Ų10860.1 Ų60.155%0.55433%0.331SS*.EExtended strand (participates in β ladder)trans-96.6120.5169.9-57174000107.4P1017 L1018 R1019I989-P1017 HydrophobicContact CG2-CB 3.97Å; I989-L1018 WeakPolarHBondContact CA-O 3.26Å; I989-R1019 HydrophobicContact CG1-CB 4.12Å; I989-R1019 HydrophobicContact CG1-CG 4.36Å
990A65Low59.2Low7 Ų764 Ų646%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-103.1138.4168.300000108.9I997 I1009 I1014 P1017 L1018A990-I997 HydrophobicContact CB-CD1 4.36Å; A990-I1009 HydrophobicContact CB-CD1 3.52Å; A990-I1014 HydrophobicContact CB-CD1 4.33Å; A990-P1017 CarbonylContact O-C 3.57Å; A990-P1017 WeakPolarHBondContact O-CA 3.45Å; A990-L1018 PolarHBondContact N-O 3.25Å; A990-L1018 PolarHBondContact O-N 3.38Å
991D69.8Low60.5Low48 Ų4864.8 Ų64.826%0.25733%0.328SS..  trans-106.1-178.4176.37065.1000112.2R993 G994D991-R993 PolarHBondContact O-N 2.94Å; D991-R993 WeakPolarHBondContact OD1-CB 3.18Å; D991-R993 WeakPolarHBondContact OD1-CG 3.32Å; D991-R993 IonicContact OD1-CZ 3.68Å; D991-R993 PolarHBondContact OD1-N 2.77Å; D991-R993 IonicContact OD1-NE 3.38Å; D991-R993 PolarHBondContact OD1-NE 3.36Å; D991-R993 IonicContact OD1-NH2 3.04Å; D991-R993 IonicContact OD2-CZ 3.38Å; D991-R993 IonicContact OD2-NE 3.68Å; D991-R993 PolarHBondContact OD2-NE 3.33Å; D991-R993 IonicContact OD2-NH2 2.79Å; D991-R993 PolarHBondContact OD2-NH2 2.71Å; D991-G994 PolarHBondContact O-N 2.77Å
992A70.8Confident62.4Low38 Ų3864.6 Ų64.631%0.31432%0.323SS..THydrogen-bonded Turntrans-60.9-15.8-17600000114.3G994 N1012 I1014A992-G994 PolarHBondContact O-N 3.03Å; A992-N1012 PolarHBondContact O-N 2.99Å; A992-I1014 WeakPolarHBondContact CA-O 3.18Å; A992-I1014 WeakPolarHBondContact CB-O 3.03Å
993R70.5Confident64.2Low192 Ų19264.6 Ų64.673%0.72532%0.324SS*.THydrogen-bonded Turntrans-71.1-9.8171.1-59.8173.8-70-176.40.5113D991 P1011D991-R993 PolarHBondContact O-N 2.94Å; D991-R993 WeakPolarHBondContact OD1-CB 3.18Å; D991-R993 WeakPolarHBondContact OD1-CG 3.32Å; D991-R993 IonicContact OD1-CZ 3.68Å; D991-R993 PolarHBondContact OD1-N 2.77Å; D991-R993 IonicContact OD1-NE 3.38Å; D991-R993 PolarHBondContact OD1-NE 3.36Å; D991-R993 IonicContact OD1-NH2 3.04Å; D991-R993 IonicContact OD2-CZ 3.38Å; D991-R993 IonicContact OD2-NE 3.68Å; D991-R993 PolarHBondContact OD2-NE 3.33Å; D991-R993 IonicContact OD2-NH2 2.79Å; D991-R993 PolarHBondContact OD2-NH2 2.71Å; R993-P1011 WeakPolarHBondContact O-CB 3.25Å; R993-P1011 WeakPolarHBondContact O-CG 3Å
994G73.4Confident66.2Low14 Ų1466.6 Ų66.614%0.14433%0.326CS..  trans73.3-161.7-172.800000112.1D991 A992 I1009D991-G994 PolarHBondContact O-N 2.77Å; A992-G994 PolarHBondContact O-N 3.03Å; G994-I1009 CarbonylContact C-O 3.55Å; G994-I1009 WeakPolarHBondContact CA-O 2.9Å
995G75.4Confident68.2Low27 Ų2761.3 Ų61.328%0.27830%0.303SS..EExtended strand (participates in β ladder)trans160.3171.3175.900000114.5I1009G995-I1009 PolarHBondContact N-O 3.45Å; G995-I1009 PolarHBondContact O-N 2.75Å
996L80.5Confident69.8Low80 Ų8062.6 Ų62.642%0.41931%0.307SS..EExtended strand (participates in β ladder)trans-103107.2169.8175.158.1000108.8R1006 F1008 F1108L996-R1006 HydrophobicContact CD1-CB 4.01Å; L996-F1008 HydrophobicContact CD1-CD1 3.87Å; L996-F1008 HydrophobicContact CD1-CD2 3.91Å; L996-F1008 HydrophobicContact CD1-CE1 3.75Å; L996-F1008 HydrophobicContact CD1-CE2 3.77Å; L996-F1008 HydrophobicContact CD1-CG 3.96Å; L996-F1008 HydrophobicContact CD1-CZ 3.69Å; L996-F1008 HydrophobicContact CD2-CE1 4.42Å; L996-F1108 HydrophobicContact CB-CD1 4.47Å; L996-F1108 HydrophobicContact CB-CE1 3.99Å
997I77.2Confident71.4Confident11 Ų1162.8 Ų62.86%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-87130.1172.2-54.2173.5000108.1V986 F988 A990 R1006 I1007 I1009 I1020V986-I997 HydrophobicContact CG1-CG2 3.92Å; F988-I997 HydrophobicContact CB-CD1 4.28Å; F988-I997 HydrophobicContact CB-CG1 4.41Å; F988-I997 HydrophobicContact CB-CG2 3.96Å; F988-I997 HydrophobicContact CD1-CG2 4.29Å; F988-I997 HydrophobicContact CD2-CG2 3.38Å; F988-I997 HydrophobicContact CE2-CG2 3.81Å; F988-I997 HydrophobicContact CG-CG2 3.64Å; F988-I997 HydrophobicContact CZ-CG2 4.41Å; A990-I997 HydrophobicContact CB-CD1 4.36Å; I997-R1006 CarbonylContact O-C 3.51Å; I997-R1006 VanDerWaalsContact O-CA 3.26Å; I997-R1006 WeakPolarHBondContact O-CA 3.23Å; I997-I1007 HydrophobicContact CB-CB 4.16Å; I997-I1007 HydrophobicContact CD1-CB 4.45Å; I997-I1007 PolarHBondContact N-O 2.99Å; I997-I1007 PolarHBondContact O-N 3.36Å; I997-I1009 HydrophobicContact CD1-CD1 3.71Å; I997-I1009 HydrophobicContact CG1-CD1 4.37Å; I997-I1020 HydrophobicContact CD1-CD1 4.44Å
998Q73.9Confident72.5Confident94 Ų9460 Ų6044%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-128.3130.4179.4-171.7175.622.800110.5F988 R1000 P1003 R1006F988-Q998 WeakPolarHBondContact CZ-O 3.16Å; Q998-R1000 PolarHBondContact O-N 3.49Å; Q998-P1003 WeakPolarHBondContact CG-O 3.49Å; Q998-P1003 PolarHBondContact NE2-O 3.35Å; Q998-R1006 HydrophobicContact CG-CG 4.4Å
999A67.7Low73.6Confident1 Ų156 Ų561%0.00827%0.27CS..  trans-77.7123.2-175.300000112.3V986 R1001 Y1002 L1005V986-A999 HydrophobicContact CG2-CB 3.3Å; A999-R1001 PolarHBondContact O-N 2.88Å; A999-R1001 VanDerWaalsContact O-N 3.14Å; A999-Y1002 WeakPolarHBondContact CB-O 3.2Å; A999-Y1002 CarbonylContact O-C 3.47Å; A999-Y1002 PolarHBondContact O-N 3.22Å; A999-Y1002 VanDerWaalsContact O-O 3.09Å; A999-L1005 HydrophobicContact CB-CB 3.99Å; A999-L1005 HydrophobicContact CB-CD2 3.94Å; A999-L1005 HydrophobicContact CB-CG 4.2Å; A999-L1005 PolarHBondContact N-O 3.21Å
1000R63.2Low74.5Confident183 Ų18351.1 Ų51.169%0.69125%0.246SC*.SBendtrans-62-25-179.7-162.2175.9-176.4-163.7-0.4113.4Q998Q998-R1000 PolarHBondContact O-N 3.49Å
1001R56.7Low75.2Confident132 Ų13252.8 Ų52.850%0.49826%0.256SS..SBendtrans-85-29.4172-73.5-173.8177.8-118.10.1113.6A999 K1345A999-R1001 PolarHBondContact O-N 2.88Å; A999-R1001 VanDerWaalsContact O-N 3.14Å; R1001-K1345 VanDerWaalsContact O-CE 3.3Å; R1001-K1345 WeakPolarHBondContact O-CE 3.38Å; R1001-K1345 PolarHBondContact O-NZ 2.91Å
1002Y66.3Low75.6Confident30 Ų3056.7 Ų56.712%0.11828%0.276CS..  trans-136.188.4-176.6-71.1-96.2000109.5L985 A999 D1004 L1005 L1024 P1065 D1340L985-Y1002 HydrophobicContact CD1-CD2 4.45Å; L985-Y1002 HydrophobicContact CD1-CE2 4.17Å; L985-Y1002 HydrophobicContact CD2-CD2 3.39Å; L985-Y1002 HydrophobicContact CD2-CE2 3.81Å; L985-Y1002 HydrophobicContact CD2-CG 4.19Å; L985-Y1002 HydrophobicContact CG-CD2 3.89Å; L985-Y1002 HydrophobicContact CG-CE2 4.12Å; A999-Y1002 WeakPolarHBondContact CB-O 3.2Å; A999-Y1002 CarbonylContact O-C 3.47Å; A999-Y1002 PolarHBondContact O-N 3.22Å; A999-Y1002 VanDerWaalsContact O-O 3.09Å; Y1002-D1004 PolarHBondContact O-N 3.41Å; Y1002-L1005 WeakPolarHBondContact O-CB 3.48Å; Y1002-L1005 PolarHBondContact O-N 3.31Å; Y1002-L1024 HydrophobicContact CE2-CD1 4.12Å; Y1002-P1065 HydrophobicContact CD1-CG 4.43Å; Y1002-D1340 WeakPolarHBondContact CE1-O 3.37Å; Y1002-D1340 PolarHBondContact OH-O 3.16Å
1003P65.7Low76Confident61 Ų6155.2 Ų55.240%0.39626%0.264SS..THydrogen-bonded Turntrans-61.7-20.4-174.124.4-34000113.7Q998Q998-P1003 WeakPolarHBondContact CG-O 3.49Å; Q998-P1003 PolarHBondContact NE2-O 3.35Å
1004D74.6Confident76.3Confident77 Ų7747 Ų4741%0.41223%0.234SC..THydrogen-bonded Turntrans-85.2-9.3174.9-53.2-74.5000113.9Y1002 R1006 P1065 I1122Y1002-D1004 PolarHBondContact O-N 3.41Å; D1004-R1006 PolarHBondContact O-N 3.03Å; D1004-P1065 HydrophobicContact CB-CB 4.46Å; D1004-I1122 HydrophobicContact CB-CD1 3.92Å; D1004-I1122 HydrophobicContact CB-CG1 4.26Å
1005L81.4Confident76.3Confident11 Ų1154.2 Ų54.26%0.05827%0.269CS..  trans-83.6107.8167.3178.966.3000108.6L985 V986 A999 Y1002 E1063 I1064L985-L1005 HydrophobicContact CD2-CD2 3.56Å; V986-L1005 HydrophobicContact CG2-CD2 4.05Å; A999-L1005 HydrophobicContact CB-CB 3.99Å; A999-L1005 HydrophobicContact CB-CD2 3.94Å; A999-L1005 HydrophobicContact CB-CG 4.2Å; A999-L1005 PolarHBondContact N-O 3.21Å; Y1002-L1005 WeakPolarHBondContact O-CB 3.48Å; Y1002-L1005 PolarHBondContact O-N 3.31Å; L1005-E1063 WeakPolarHBondContact CA-O 3.26Å; L1005-I1064 HydrophobicContact CD1-CB 4.3Å; L1005-I1064 HydrophobicContact CD1-CG1 3.56Å
1006R84.8Confident76Confident49 Ų4954 Ų5419%0.18527%0.267CS..EExtended strand (participates in β ladder)trans-130.9143.8-172.8-49-167.2-67.71780.6111.4L996 I997 Q998 D1004 F1008 E1063L996-R1006 HydrophobicContact CD1-CB 4.01Å; I997-R1006 CarbonylContact O-C 3.51Å; I997-R1006 VanDerWaalsContact O-CA 3.26Å; I997-R1006 WeakPolarHBondContact O-CA 3.23Å; Q998-R1006 HydrophobicContact CG-CG 4.4Å; D1004-R1006 PolarHBondContact O-N 3.03Å; R1006-F1008 HydrophobicContact CB-CD2 4.42Å; R1006-F1008 HydrophobicContact CB-CE2 3.91Å; R1006-E1063 HydrophobicContact CB-CB 4.26Å; R1006-E1063 IonicContact CZ-OE2 3.97Å; R1006-E1063 VanDerWaalsContact CZ-OE2 3.23Å; R1006-E1063 PolarHBondContact N-O 2.95Å; R1006-E1063 IonicContact NE-OE2 2.83Å; R1006-E1063 PolarHBondContact NE-OE2 3.24Å; R1006-E1063 IonicContact NH2-OE2 2.65Å; R1006-E1063 PolarHBondContact NH2-OE2 3.37Å; R1006-E1063 PolarHBondContact O-N 3.3Å
1007I86.8Confident75.6Confident9 Ų955.1 Ų55.15%0.04628%0.279CS..EExtended strand (participates in β ladder)trans-123.9117.7172-47.5175.6000107.8I997 I1009 I1020 I1060 L1062I997-I1007 HydrophobicContact CB-CB 4.16Å; I997-I1007 HydrophobicContact CD1-CB 4.45Å; I997-I1007 PolarHBondContact N-O 2.99Å; I997-I1007 PolarHBondContact O-N 3.36Å; I1007-I1009 HydrophobicContact CG2-CD1 4.5Å; I1007-I1009 HydrophobicContact CG2-CG1 4.1Å; I1007-I1020 HydrophobicContact CD1-CG2 4.19Å; I1007-I1060 HydrophobicContact CG2-CD1 4.09Å; I1007-L1062 HydrophobicContact CG1-CG 4.46Å; I1007-L1062 HydrophobicContact CG2-CG 4.38Å
1008F87.6Confident75.4Confident3 Ų355.4 Ų55.41%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-97.8118.3175.8-65.3-107.5000108.8L996 R1006 L1061 E1063 L1104 F1108L996-F1008 HydrophobicContact CD1-CD1 3.87Å; L996-F1008 HydrophobicContact CD1-CD2 3.91Å; L996-F1008 HydrophobicContact CD1-CE1 3.75Å; L996-F1008 HydrophobicContact CD1-CE2 3.77Å; L996-F1008 HydrophobicContact CD1-CG 3.96Å; L996-F1008 HydrophobicContact CD1-CZ 3.69Å; L996-F1008 HydrophobicContact CD2-CE1 4.42Å; R1006-F1008 HydrophobicContact CB-CD2 4.42Å; R1006-F1008 HydrophobicContact CB-CE2 3.91Å; F1008-L1061 HydrophobicContact CB-CB 4.16Å; F1008-L1061 HydrophobicContact CD2-CD2 4.01Å; F1008-L1061 HydrophobicContact CD2-CG 4.18Å; F1008-L1061 HydrophobicContact CE2-CD2 4.48Å; F1008-L1061 HydrophobicContact CG-CD2 4.29Å; F1008-L1061 PolarHBondContact N-O 3.42Å; F1008-L1061 PolarHBondContact O-N 3.36Å; F1008-L1061 VanDerWaalsContact O-N 3.17Å; F1008-E1063 HydrophobicContact CE2-CG 4.25Å; F1008-E1063 WeakPolarHBondContact CE2-OE2 3.19Å; F1008-L1104 HydrophobicContact CB-CD2 4Å; F1008-F1108 HydrophobicContact CB-CE2 4.46Å; F1008-F1108 HydrophobicContact CD1-CB 4.36Å; F1008-F1108 AromaticContact CD1-CD1 3.99Å; F1008-F1108 HydrophobicContact CD1-CD1 3.99Å; F1008-F1108 HydrophobicContact CD1-CD2 4.11Å; F1008-F1108 HydrophobicContact CD1-CE1 4.26Å; F1008-F1108 HydrophobicContact CD1-CE2 4.36Å; F1008-F1108 AromaticContact CD1-CG 3.9Å; F1008-F1108 HydrophobicContact CD1-CG 3.9Å; F1008-F1108 HydrophobicContact CD1-CZ 4.43Å; F1008-F1108 HydrophobicContact CE1-CB 4.41Å; F1008-F1108 HydrophobicContact CE1-CD1 4.39Å; F1008-F1108 HydrophobicContact CE1-CG 4.36Å
1009I87.4Confident75.6Confident1 Ų157.9 Ų57.91%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-115106.7178-57.7168.3000106.5A990 G994 G995 I997 I1007 V1013 I1014 I1020 I1060A990-I1009 HydrophobicContact CB-CD1 3.52Å; G994-I1009 CarbonylContact C-O 3.55Å; G994-I1009 WeakPolarHBondContact CA-O 2.9Å; G995-I1009 PolarHBondContact N-O 3.45Å; G995-I1009 PolarHBondContact O-N 2.75Å; I997-I1009 HydrophobicContact CD1-CD1 3.71Å; I997-I1009 HydrophobicContact CG1-CD1 4.37Å; I1007-I1009 HydrophobicContact CG2-CD1 4.5Å; I1007-I1009 HydrophobicContact CG2-CG1 4.1Å; I1009-V1013 HydrophobicContact CG2-CB 4.47Å; I1009-I1014 HydrophobicContact CD1-CD1 4.17Å; I1009-I1014 HydrophobicContact CG2-CD1 3.66Å; I1009-I1014 HydrophobicContact CG2-CG1 3.9Å; I1009-I1020 HydrophobicContact CD1-CD1 3.85Å; I1009-I1060 HydrophobicContact CG1-CG2 4.3Å; I1009-I1060 HydrophobicContact CG2-CG2 4.45Å
1010P84.7Confident76Confident6 Ų657.9 Ų57.94%0.03929%0.286CS..  trans-63.2157.1175.8-17.528.5000112V1013 T1103 L1104P1010-V1013 HydrophobicContact CB-CG2 3.69Å; P1010-V1013 HydrophobicContact CG-CG2 4.03Å; P1010-V1013 VanDerWaalsContact O-CB 3.29Å; P1010-V1013 WeakPolarHBondContact O-CB 3.33Å; P1010-V1013 VanDerWaalsContact O-CG2 3.28Å; P1010-V1013 WeakPolarHBondContact O-CG2 3.23Å; P1010-V1013 PolarHBondContact O-N 3.4Å; P1010-T1103 HydrophobicContact CG-CG2 4.5Å; P1010-L1104 HydrophobicContact CG-CD2 4.32Å
1011P81Confident76.6Confident41 Ų4149.7 Ų49.727%0.26626%0.256SS..THydrogen-bonded Turntrans-61.4149.2177.5-22.434.3000112.7R993 V1013R993-P1011 WeakPolarHBondContact O-CB 3.25Å; R993-P1011 WeakPolarHBondContact O-CG 3Å; P1011-V1013 PolarHBondContact O-N 3.04Å
1012N78Confident77.6Confident130 Ų13043.5 Ų43.570%0.69523%0.233SC*.THydrogen-bonded Turntrans62.211.3-178.6-44.5-67.8000115.5A992A992-N1012 PolarHBondContact O-N 2.99Å
1013V79.2Confident78Confident7 Ų745.7 Ų45.74%0.04224%0.241CC..SBendtrans-80.1-19.6178.8173.30000113I1009 P1010 P1011 F1056 A1057 S1058 I1060I1009-V1013 HydrophobicContact CG2-CB 4.47Å; P1010-V1013 HydrophobicContact CB-CG2 3.69Å; P1010-V1013 HydrophobicContact CG-CG2 4.03Å; P1010-V1013 VanDerWaalsContact O-CB 3.29Å; P1010-V1013 WeakPolarHBondContact O-CB 3.33Å; P1010-V1013 VanDerWaalsContact O-CG2 3.28Å; P1010-V1013 WeakPolarHBondContact O-CG2 3.23Å; P1010-V1013 PolarHBondContact O-N 3.4Å; P1011-V1013 PolarHBondContact O-N 3.04Å; V1013-F1056 HydrophobicContact CG1-CB 3.66Å; V1013-F1056 HydrophobicContact CG1-CD1 4.15Å; V1013-F1056 HydrophobicContact CG1-CG 4.17Å; V1013-A1057 PolarHBondContact O-N 3.1Å; V1013-A1057 VanDerWaalsContact O-N 3.1Å; V1013-S1058 VanDerWaalsContact CG1-O 3.29Å; V1013-S1058 WeakPolarHBondContact CG1-O 3.43Å; V1013-I1060 HydrophobicContact CG1-CG2 3.87Å
1014I76.6Confident78.6Confident19 Ų1944.8 Ų44.810%0.09723%0.233CC..SBendtrans-122.9135.5176.8-44.6-179.4000108.7A990 A992 I1009 G1016 L1018 F1056A990-I1014 HydrophobicContact CB-CD1 4.33Å; A992-I1014 WeakPolarHBondContact CA-O 3.18Å; A992-I1014 WeakPolarHBondContact CB-O 3.03Å; I1009-I1014 HydrophobicContact CD1-CD1 4.17Å; I1009-I1014 HydrophobicContact CG2-CD1 3.66Å; I1009-I1014 HydrophobicContact CG2-CG1 3.9Å; I1014-G1016 VanDerWaalsContact CG2-O 3.23Å; I1014-G1016 WeakPolarHBondContact CG2-O 3.41Å; I1014-G1016 PolarHBondContact O-N 2.87Å; I1014-L1018 HydrophobicContact CD1-CB 4.24Å; I1014-L1018 HydrophobicContact CD1-CD2 4.15Å; I1014-L1018 HydrophobicContact CG2-CB 3.96Å; I1014-L1018 HydrophobicContact CG2-CD2 4.42Å; I1014-F1056 HydrophobicContact CD1-CE1 4.02Å; I1014-F1056 HydrophobicContact CG1-CD1 3.95Å; I1014-F1056 HydrophobicContact CG1-CE1 3.96Å
1015N72.9Confident78.6Confident166 Ų16642 Ų4289%0.88822%0.218SC*.SBendtrans-78.42.2-176.4-64.4-19.9000114.6
1016G70.7Confident78.3Confident22 Ų2243.3 Ų43.323%0.22722%0.224CC..SBendtrans178.4-176.1-173.400000112.3I1014 L1018I1014-G1016 VanDerWaalsContact CG2-O 3.23Å; I1014-G1016 WeakPolarHBondContact CG2-O 3.41Å; I1014-G1016 PolarHBondContact O-N 2.87Å; G1016-L1018 PolarHBondContact O-N 3.46Å
1017P72.1Confident77.6Confident104 Ų10442.6 Ų42.668%0.67523%0.226SC*.  trans-67.8122176.628.3-33.6000111.4I989 A990I989-P1017 HydrophobicContact CG2-CB 3.97Å; A990-P1017 CarbonylContact O-C 3.57Å; A990-P1017 WeakPolarHBondContact O-CA 3.45Å
1018L71.5Confident76.7Confident17 Ų1747.6 Ų47.69%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-120.4122.8177.1174.558.5000110.5I989 A990 I1014 G1016 I1020 P1051 I1054 F1056I989-L1018 WeakPolarHBondContact CA-O 3.26Å; A990-L1018 PolarHBondContact N-O 3.25Å; A990-L1018 PolarHBondContact O-N 3.38Å; I1014-L1018 HydrophobicContact CD1-CB 4.24Å; I1014-L1018 HydrophobicContact CD1-CD2 4.15Å; I1014-L1018 HydrophobicContact CG2-CB 3.96Å; I1014-L1018 HydrophobicContact CG2-CD2 4.42Å; G1016-L1018 PolarHBondContact O-N 3.46Å; L1018-I1020 HydrophobicContact CD2-CD1 4.19Å; L1018-I1020 HydrophobicContact CD2-CG1 3.88Å; L1018-I1020 HydrophobicContact CG-CG1 3.88Å; L1018-I1020 PolarHBondContact O-N 3.48Å; L1018-P1051 HydrophobicContact CD1-CG 4.08Å; L1018-I1054 HydrophobicContact CD1-CD1 3.32Å; L1018-I1054 HydrophobicContact CD2-CD1 3.83Å; L1018-I1054 HydrophobicContact CD2-CG2 4.03Å; L1018-I1054 HydrophobicContact CG-CD1 4.22Å; L1018-F1056 HydrophobicContact CD2-CE1 3.98Å; L1018-F1056 HydrophobicContact CD2-CZ 4.35Å
1019R78.6Confident75.7Confident147 Ų14755.3 Ų55.356%0.55528%0.281SS*.EExtended strand (participates in β ladder)trans-79.6110167.4-175.7179.2-70.5171.9-1.2109.5F988 I989 V1021 P1051F988-R1019 CarbonylContact O-C 3.56Å; F988-R1019 WeakPolarHBondContact O-CA 3.49Å; I989-R1019 HydrophobicContact CG1-CB 4.12Å; I989-R1019 HydrophobicContact CG1-CG 4.36Å; R1019-V1021 HydrophobicContact CG-CG2 4.08Å; R1019-P1051 VanDerWaalsContact O-CD 3.28Å; R1019-P1051 WeakPolarHBondContact O-CD 3.25Å
1020I75.9Confident74.8Confident1 Ų156.5 Ų56.51%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-97127.9170.8-56.2-179.2000108.8S987 F988 I997 I1007 I1009 L1018 I1049 L1130S987-I1020 WeakPolarHBondContact CA-O 2.93Å; F988-I1020 PolarHBondContact N-O 3.49Å; F988-I1020 VanDerWaalsContact N-O 3.08Å; F988-I1020 PolarHBondContact O-N 2.87Å; I997-I1020 HydrophobicContact CD1-CD1 4.44Å; I1007-I1020 HydrophobicContact CD1-CG2 4.19Å; I1009-I1020 HydrophobicContact CD1-CD1 3.85Å; L1018-I1020 HydrophobicContact CD2-CD1 4.19Å; L1018-I1020 HydrophobicContact CD2-CG1 3.88Å; L1018-I1020 HydrophobicContact CG-CG1 3.88Å; L1018-I1020 PolarHBondContact O-N 3.48Å; I1020-I1049 HydrophobicContact CG2-CG2 4.28Å; I1020-L1130 HydrophobicContact CD1-CD1 4.44Å; I1020-L1130 HydrophobicContact CG1-CD1 4.46Å; I1020-L1130 HydrophobicContact CG2-CD1 4.24Å
1021V76.1Confident74Confident10 Ų1064.1 Ų64.16%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-118135176.3-178.70000109.2W966 V986 R1019 R1023 I1049 G1050W966-V1021 HydrophobicContact CH2-CB 3.6Å; W966-V1021 HydrophobicContact CH2-CG1 4.22Å; W966-V1021 HydrophobicContact CH2-CG2 3.57Å; W966-V1021 HydrophobicContact CZ2-CB 4.47Å; W966-V1021 HydrophobicContact CZ3-CB 4.24Å; W966-V1021 HydrophobicContact CZ3-CG2 3.76Å; V986-V1021 WeakPolarHBondContact O-CA 3.39Å; R1019-V1021 HydrophobicContact CG-CG2 4.08Å; V1021-R1023 HydrophobicContact CG1-CG 4.35Å; V1021-I1049 WeakPolarHBondContact O-CA 3.26Å; V1021-G1050 PolarHBondContact N-O 3.19Å; V1021-G1050 PolarHBondContact O-N 3.12Å
1022C77.5Confident73.6Confident3 Ų364.5 Ų64.52%0.0233%0.332CS..EExtended strand (participates in β ladder)trans-136.2136.9175.7168.40000111L985 V986 E1048 I1049L985-C1022 WeakPolarHBondContact CB-O 3.38Å; L985-C1022 PolarHBondContact N-O 2.7Å; V986-C1022 HydrophobicContact CB-CB 4.02Å; V986-C1022 HydrophobicContact CG1-CB 4.42Å; V986-C1022 PolarHBondContact N-O 2.81Å; V986-C1022 VanDerWaalsContact N-O 3.13Å; V986-C1022 PolarHBondContact O-N 3.38Å; C1022-E1048 CarbonylContact C-O 3.58Å; C1022-E1048 VanDerWaalsContact CA-O 3.31Å; C1022-E1048 WeakPolarHBondContact CA-O 3.33Å; C1022-I1049 HydrophobicContact CB-CG1 4.17Å
1023R75.7Confident73.7Confident75 Ų7561.2 Ų61.228%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-135146.5-176.7-43.3-175.3-169.5142-9.9110F984 V1021 E1048F984-R1023 HydrophobicContact CD1-CG 4.4Å; V1021-R1023 HydrophobicContact CG1-CG 4.35Å; R1023-E1048 HydrophobicContact CB-CB 4.33Å; R1023-E1048 WeakPolarHBondContact CD-OE2 3.46Å; R1023-E1048 IonicContact CZ-OE2 3.82Å; R1023-E1048 PolarHBondContact N-O 3.37Å; R1023-E1048 IonicContact NE-OE2 3.56Å; R1023-E1048 IonicContact NH1-OE2 3Å; R1023-E1048 PolarHBondContact NH1-OE2 2.94Å; R1023-E1048 PolarHBondContact O-N 3.48Å
1024L77Confident73.8Confident43 Ų4361.2 Ų61.223%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-95.9120.4170.6-69.4179.2000110.3L985 Y1002 R1045 L1046 L1047L985-L1024 HydrophobicContact CD1-CB 3.98Å; L985-L1024 HydrophobicContact CD1-CD1 4.04Å; L985-L1024 HydrophobicContact CD1-CG 3.88Å; L985-L1024 HydrophobicContact CD2-CD1 3.66Å; L985-L1024 HydrophobicContact CD2-CG 3.68Å; L985-L1024 HydrophobicContact CG-CD1 4.5Å; L985-L1024 HydrophobicContact CG-CG 4.4Å; Y1002-L1024 HydrophobicContact CE2-CD1 4.12Å; L1024-R1045 HydrophobicContact CB-CB 3.96Å; L1024-R1045 HydrophobicContact CD1-CB 4.44Å; L1024-R1045 HydrophobicContact CD2-CB 4.11Å; L1024-R1045 HydrophobicContact CG-CB 4.38Å; L1024-L1046 CarbonylContact C-O 3.54Å; L1024-L1046 WeakPolarHBondContact CA-O 3.48Å; L1024-L1047 HydrophobicContact CD2-CD2 3.57Å; L1024-L1047 HydrophobicContact CD2-CG 3.9Å
1025V76.3Confident73.8Confident18 Ų1866.6 Ų66.611%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-110.9140.1-175.7-176.60000109.6R1029 M1030 L1046 E1048V1025-R1029 HydrophobicContact CG1-CB 4.03Å; V1025-M1030 HydrophobicContact CG1-CG 4.09Å; V1025-L1046 HydrophobicContact CB-CB 4.39Å; V1025-L1046 PolarHBondContact N-O 3.17Å; V1025-L1046 WeakPolarHBondContact O-CB 3.41Å; V1025-L1046 PolarHBondContact O-N 3.46Å; V1025-E1048 HydrophobicContact CG2-CB 3.73Å
1026H73.3Confident74.1Confident39 Ų3962.4 Ų62.418%0.18132%0.321CS..  trans-85.4138.2173.2-168-84.5000109.2D1028 R1029H1026-D1028 IonicContact CE1-OD1 3.12Å; H1026-D1028 PolarHBondContact CE1-OD1 2.95Å; H1026-D1028 IonicContact CE1-OD2 3.03Å; H1026-D1028 PolarHBondContact CE1-OD2 3.4Å; H1026-D1028 PolarHBondContact ND1-N 3.45Å; H1026-D1028 IonicContact ND1-OD1 2.8Å; H1026-D1028 PolarHBondContact ND1-OD1 3.41Å; H1026-D1028 IonicContact ND1-OD2 3.43Å; H1026-D1028 PolarHBondContact ND1-OD2 3.46Å; H1026-D1028 PolarHBondContact O-N 2.89Å; H1026-D1028 VanDerWaalsContact O-N 3.13Å; H1026-R1029 WeakPolarHBondContact O-CB 3.29Å; H1026-R1029 PolarHBondContact O-N 2.82Å
1027P70.3Confident74.6Confident33 Ų3364 Ų6421%0.21433%0.325CS..G310 helixtrans-51.8-39.4-175.216.2-31000114R1029 M1030 P1033 L1042 L1046P1027-R1029 PolarHBondContact O-N 2.73Å; P1027-M1030 PolarHBondContact O-N 2.78Å; P1027-P1033 HydrophobicContact CB-CB 4.34Å; P1027-L1042 HydrophobicContact CG-CD1 4.05Å; P1027-L1046 VanDerWaalsContact CA-CD1 3.49Å; P1027-L1046 HydrophobicContact CB-CD1 3.87Å
1028D67.8Low74.9Confident115 Ų11560.5 Ų60.562%0.61530%0.3SS*.G310 helixtrans-58.3-5.3176.8-47.610.7000114.6H1026 R1396H1026-D1028 IonicContact CE1-OD1 3.12Å; H1026-D1028 PolarHBondContact CE1-OD1 2.95Å; H1026-D1028 IonicContact CE1-OD2 3.03Å; H1026-D1028 PolarHBondContact CE1-OD2 3.4Å; H1026-D1028 PolarHBondContact ND1-N 3.45Å; H1026-D1028 IonicContact ND1-OD1 2.8Å; H1026-D1028 PolarHBondContact ND1-OD1 3.41Å; H1026-D1028 IonicContact ND1-OD2 3.43Å; H1026-D1028 PolarHBondContact ND1-OD2 3.46Å; H1026-D1028 PolarHBondContact O-N 2.89Å; H1026-D1028 VanDerWaalsContact O-N 3.13Å; D1028-R1396 IonicContact OD2-NH2 3.18Å
1029R68.2Low75.3Confident164 Ų16460.2 Ų60.262%0.61930%0.301SS*.G310 helixtrans-104.82.7175.4-65.6-175.4174.3168.5-2.7114.6T982 V1025 H1026 P1027T982-R1029 VanDerWaalsContact CG2-NH1 3.26Å; V1025-R1029 HydrophobicContact CG1-CB 4.03Å; H1026-R1029 WeakPolarHBondContact O-CB 3.29Å; H1026-R1029 PolarHBondContact O-N 2.82Å; P1027-R1029 PolarHBondContact O-N 2.73Å
1030M68Low75.8Confident26 Ų2654.6 Ų54.613%0.12828%0.282CS..SBendtrans-111.3139.7177.3-55.7-165.5-40.900110.9V1025 P1027 S1032 P1033 L1046 W1088 Y1133V1025-M1030 HydrophobicContact CG1-CG 4.09Å; P1027-M1030 PolarHBondContact O-N 2.78Å; M1030-S1032 PolarHBondContact O-N 2.72Å; M1030-P1033 HydrophobicContact CE-CB 4.3Å; M1030-L1046 HydrophobicContact CE-CD1 3.5Å; M1030-L1046 HydrophobicContact CE-CD2 4.25Å; M1030-L1046 HydrophobicContact CE-CG 4.41Å; M1030-L1046 HydrophobicContact SD-CD1 3.9Å; M1030-W1088 HydrophobicContact CE-CH2 4.04Å; M1030-W1088 HydrophobicContact CE-CZ2 3.5Å; M1030-W1088 HydrophobicContact SD-CZ2 4.4Å; M1030-Y1133 HydrophobicContact SD-CD1 4.02Å; M1030-Y1133 HydrophobicContact SD-CE1 4.07Å; M1030-Y1133 HydrophobicContact SD-CG 4.41Å
1031N67Low76.3Confident167 Ų16754.8 Ų54.889%0.89329%0.285SS*.SBendtrans-64.8-25.8177.6-61.7-11.3000112.9
1032S74.3Confident77Confident49 Ų4955 Ų5534%0.34329%0.285SS..SBendtrans-141.674.3-174.5-67.80000111M1030 W1088M1030-S1032 PolarHBondContact O-N 2.72Å; S1032-W1088 PolarHBondContact O-NE1 3.46Å
1033P79Confident77.5Confident60 Ų6054.8 Ų54.839%0.3928%0.284SS..  trans-63.4154.8177.627.6-34.8000112.4P1027 M1030 I1035P1027-P1033 HydrophobicContact CB-CB 4.34Å; M1030-P1033 HydrophobicContact CE-CB 4.3Å; P1033-I1035 PolarHBondContact O-N 2.79Å
1034P80.9Confident78Confident8 Ų851.5 Ų51.55%0.05227%0.273CS..  trans-61.1131.6-179.524.6-33.9000111.6M1036 L1042 L1046 L1080 W1088 A1135 I1137P1034-M1036 PolarHBondContact O-N 2.78Å; P1034-L1042 HydrophobicContact CG-CD2 4.35Å; P1034-L1046 HydrophobicContact CG-CD2 3.95Å; P1034-L1080 HydrophobicContact CB-CD1 4.11Å; P1034-W1088 HydrophobicContact CB-CD2 3.84Å; P1034-W1088 HydrophobicContact CB-CE3 4.07Å; P1034-W1088 HydrophobicContact CB-CG 4.19Å; P1034-A1135 HydrophobicContact CB-CB 4.49Å; P1034-A1135 HydrophobicContact CG-CB 4.06Å; P1034-I1137 HydrophobicContact CB-CD1 4.4Å
1035I77.3Confident78.4Confident132 Ų13252.9 Ų52.968%0.67728%0.275SS*.  trans-77.2113.7-174.4-64176.3000109.9P1033 T1257P1033-I1035 PolarHBondContact O-N 2.79Å; I1035-T1257 HydrophobicContact CG2-CG2 3.29Å
1036M80Confident78.9Confident77 Ų7752 Ų5238%0.37927%0.27SS..  trans-104.8146-174.1-69.8-175.7-71.500113.1P1034 D1040 L1042 I1137 T1257P1034-M1036 PolarHBondContact O-N 2.78Å; M1036-D1040 HydrophobicContact CB-CB 4.04Å; M1036-D1040 HydrophobicContact CG-CB 4.38Å; M1036-L1042 HydrophobicContact SD-CG 4.35Å; M1036-I1137 HydrophobicContact CG-CD1 4.35Å; M1036-T1257 WeakPolarHBondContact O-CG2 3.24Å
1037N80.1Confident79.6Confident57 Ų5750.3 Ų50.331%0.30526%0.262SS..  trans-95.5172.2177.6-52-94000112.5G1039 D1040 R1208 G1256N1037-G1039 PolarHBondContact O-N 3.45Å; N1037-D1040 VanDerWaalsContact CB-OD2 3.25Å; N1037-D1040 WeakPolarHBondContact CB-OD2 3.13Å; N1037-D1040 PolarHBondContact N-OD2 3.13Å; N1037-D1040 PolarHBondContact ND2-OD2 3.09Å; N1037-D1040 WeakPolarHBondContact O-CB 3.44Å; N1037-D1040 PolarHBondContact O-N 3.38Å; N1037-R1208 PolarHBondContact OD1-NH2 3.41Å; N1037-G1256 PolarHBondContact OD1-O 3.4Å
1038D79.2Confident80.4Confident30 Ų3050.6 Ų50.616%0.1626%0.26CS..THydrogen-bonded Turntrans-46.1104.7171.3-58.9-30.4000113.1P1259 A1260 R1287 L1311D1038-P1259 WeakPolarHBondContact OD1-CA 3.25Å; D1038-A1260 PolarHBondContact OD2-N 3.38Å; D1038-R1287 IonicContact OD2-CZ 3.64Å; D1038-R1287 IonicContact OD2-NH1 3.48Å; D1038-R1287 PolarHBondContact OD2-NH1 2.8Å; D1038-R1287 IonicContact OD2-NH2 2.73Å; D1038-L1311 HydrophobicContact CB-CD1 3.91Å
1039G79.5Confident81.2Confident11 Ų1145.3 Ų45.311%0.11323%0.232CC..THydrogen-bonded Turntrans88.34.6178.200000115.8N1037 R1075N1037-G1039 PolarHBondContact O-N 3.45Å; G1039-R1075 PolarHBondContact O-NH1 3.13Å; G1039-R1075 PolarHBondContact O-NH2 2.86Å
1040D88.6Confident81.5Confident28 Ų2837.6 Ų37.615%0.1520%0.203CC..  trans-76.8152.1162.6-63.4-16.6000109.9M1036 N1037 I1137 T1138 R1139M1036-D1040 HydrophobicContact CB-CB 4.04Å; M1036-D1040 HydrophobicContact CG-CB 4.38Å; N1037-D1040 VanDerWaalsContact CB-OD2 3.25Å; N1037-D1040 WeakPolarHBondContact CB-OD2 3.13Å; N1037-D1040 PolarHBondContact N-OD2 3.13Å; N1037-D1040 PolarHBondContact ND2-OD2 3.09Å; N1037-D1040 WeakPolarHBondContact O-CB 3.44Å; N1037-D1040 PolarHBondContact O-N 3.38Å; D1040-I1137 HydrophobicContact CB-CG2 4.1Å; D1040-T1138 WeakPolarHBondContact CA-O 3.14Å; D1040-R1139 WeakPolarHBondContact OD1-CB 2.58Å
1041G87.6Confident82.1Confident6 Ų637 Ų376%0.06220%0.202CC..EExtended strand (participates in β ladder)trans-157.4159.9172.200000111.4I1137 T1138G1041-I1137 CarbonylContact O-C 3.52Å; G1041-I1137 WeakPolarHBondContact O-CA 3.46Å; G1041-I1137 WeakPolarHBondContact O-CG2 3.34Å; G1041-T1138 PolarHBondContact N-O 3.43Å; G1041-T1138 WeakPolarHBondContact O-CG2 3.28Å; G1041-T1138 PolarHBondContact O-N 3.28Å
1042L89.1Confident82.7Confident13 Ų1331.1 Ų31.17%0.06817%0.172CC..EExtended strand (participates in β ladder)trans-64.5143.6174.3-67.6175.5000110.3P1027 P1034 M1036 L1046 A1135 L1136 I1137 Y1315 F1395P1027-L1042 HydrophobicContact CG-CD1 4.05Å; P1034-L1042 HydrophobicContact CG-CD2 4.35Å; M1036-L1042 HydrophobicContact SD-CG 4.35Å; L1042-L1046 HydrophobicContact CD1-CG 4.38Å; L1042-L1046 HydrophobicContact CD2-CD2 4.09Å; L1042-A1135 HydrophobicContact CD2-CB 4.46Å; L1042-L1136 CarbonylContact C-O 3.48Å; L1042-I1137 HydrophobicContact CD2-CG1 4.34Å; L1042-Y1315 VanDerWaalsContact O-CE1 3.25Å; L1042-Y1315 WeakPolarHBondContact O-CE1 3.19Å; L1042-Y1315 PolarHBondContact O-OH 3.23Å; L1042-F1395 HydrophobicContact CB-CD2 4.34Å; L1042-F1395 HydrophobicContact CB-CE2 3.82Å; L1042-F1395 VanDerWaalsContact O-CE2 3.24Å; L1042-F1395 WeakPolarHBondContact O-CE2 3.16Å; L1042-F1395 WeakPolarHBondContact O-CZ 3.39Å
1043A88.7Confident82.8Confident0 Ų031.5 Ų31.50%018%0.184CC..SBendtrans-98.2-15.7176.200000113H1066 Y1067 A1068 I1077 L1136A1043-H1066 HydrophobicContact CB-CB 4.48Å; A1043-Y1067 PolarHBondContact O-N 3.17Å; A1043-A1068 HydrophobicContact CB-CB 3.97Å; A1043-I1077 HydrophobicContact CB-CD1 4.21Å; A1043-I1077 HydrophobicContact CB-CG1 4.37Å; A1043-L1136 HydrophobicContact CB-CB 4.01Å; A1043-L1136 PolarHBondContact N-O 2.74Å
1044C86.6Confident82.8Confident6 Ų630.9 Ų30.94%0.04118%0.177CC..SBendtrans-155.5173.1167.460.60000108.5Y1067C1044-Y1067 HydrophobicContact CB-CD2 4.26Å; C1044-Y1067 HydrophobicContact CB-CE2 4.48Å
1045R85.9Confident83Confident71 Ų7140.6 Ų40.627%0.26821%0.213SC..SBendtrans-60.2155.4169.9-65.9-174.9-159-170.26.7110.8L1024 D1340 F1395L1024-R1045 HydrophobicContact CB-CB 3.96Å; L1024-R1045 HydrophobicContact CD1-CB 4.44Å; L1024-R1045 HydrophobicContact CD2-CB 4.11Å; L1024-R1045 HydrophobicContact CG-CB 4.38Å; R1045-D1340 IonicContact CZ-OD2 3.68Å; R1045-D1340 IonicContact NE-OD2 2.74Å; R1045-D1340 PolarHBondContact NE-OD2 3.35Å; R1045-D1340 IonicContact NH2-OD1 3.88Å; R1045-D1340 IonicContact NH2-OD2 2.96Å; R1045-D1340 PolarHBondContact NH2-OD2 2.96Å; R1045-F1395 HydrophobicContact CG-CB 4Å; R1045-F1395 HydrophobicContact CG-CD1 4.26Å; R1045-F1395 HydrophobicContact CG-CG 4.28Å
1046L86.8Confident83.3Confident1 Ų135 Ų351%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-66.1135.8-177-63.7152.4000110L1024 V1025 P1027 M1030 P1034 L1042 W1088 A1135L1024-L1046 CarbonylContact C-O 3.54Å; L1024-L1046 WeakPolarHBondContact CA-O 3.48Å; V1025-L1046 HydrophobicContact CB-CB 4.39Å; V1025-L1046 PolarHBondContact N-O 3.17Å; V1025-L1046 WeakPolarHBondContact O-CB 3.41Å; V1025-L1046 PolarHBondContact O-N 3.46Å; P1027-L1046 VanDerWaalsContact CA-CD1 3.49Å; P1027-L1046 HydrophobicContact CB-CD1 3.87Å; M1030-L1046 HydrophobicContact CE-CD1 3.5Å; M1030-L1046 HydrophobicContact CE-CD2 4.25Å; M1030-L1046 HydrophobicContact CE-CG 4.41Å; M1030-L1046 HydrophobicContact SD-CD1 3.9Å; P1034-L1046 HydrophobicContact CG-CD2 3.95Å; L1042-L1046 HydrophobicContact CD1-CG 4.38Å; L1042-L1046 HydrophobicContact CD2-CD2 4.09Å; L1046-W1088 HydrophobicContact CD2-CH2 4.22Å; L1046-A1135 HydrophobicContact CD2-CB 3.47Å; L1046-A1135 VanDerWaalsContact CD2-CB 3.47Å
1047L87.2Confident83.4Confident2 Ų235.2 Ų35.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-96.5106-178.9-70.9146.5000108.8L1024 I1049 I1064 Y1133 F1134 L1136L1024-L1047 HydrophobicContact CD2-CD2 3.57Å; L1024-L1047 HydrophobicContact CD2-CG 3.9Å; L1047-I1049 HydrophobicContact CB-CG1 4.37Å; L1047-I1064 HydrophobicContact CD1-CD1 3.67Å; L1047-I1064 HydrophobicContact CD1-CG1 4.15Å; L1047-I1064 HydrophobicContact CD1-CG2 4.05Å; L1047-Y1133 CarbonylContact O-C 3.5Å; L1047-Y1133 VanDerWaalsContact O-CA 3.26Å; L1047-Y1133 WeakPolarHBondContact O-CA 3.37Å; L1047-F1134 HydrophobicContact CB-CB 4.18Å; L1047-F1134 HydrophobicContact CD1-CB 4.31Å; L1047-F1134 PolarHBondContact N-O 2.85Å; L1047-F1134 PolarHBondContact O-N 3.18Å; L1047-L1136 HydrophobicContact CD1-CD1 3.73Å
1048E87.2Confident83.5Confident39 Ų3934.7 Ų34.718%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-81.5123.9164.7-177.6172.5-104.100108.4C1022 R1023 V1025 Q1132 Y1133C1022-E1048 CarbonylContact C-O 3.58Å; C1022-E1048 VanDerWaalsContact CA-O 3.31Å; C1022-E1048 WeakPolarHBondContact CA-O 3.33Å; R1023-E1048 HydrophobicContact CB-CB 4.33Å; R1023-E1048 WeakPolarHBondContact CD-OE2 3.46Å; R1023-E1048 IonicContact CZ-OE2 3.82Å; R1023-E1048 PolarHBondContact N-O 3.37Å; R1023-E1048 IonicContact NE-OE2 3.56Å; R1023-E1048 IonicContact NH1-OE2 3Å; R1023-E1048 PolarHBondContact NH1-OE2 2.94Å; R1023-E1048 PolarHBondContact O-N 3.48Å; V1025-E1048 HydrophobicContact CG2-CB 3.73Å; E1048-Q1132 WeakPolarHBondContact CA-O 3.28Å; E1048-Y1133 HydrophobicContact CB-CD1 3.86Å; E1048-Y1133 HydrophobicContact CB-CE1 3.59Å; E1048-Y1133 HydrophobicContact CG-CD1 4.17Å; E1048-Y1133 HydrophobicContact CG-CE1 3.55Å; E1048-Y1133 WeakPolarHBondContact OE1-CE1 3.4Å; E1048-Y1133 PolarHBondContact OE1-OH 3.45Å
1049I84.5Confident83.9Confident5 Ų533.6 Ų33.63%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-129.2138.7-179.7-51.7-170.7000109.7I1020 V1021 C1022 L1047 L1062 L1130 Q1132 F1134I1020-I1049 HydrophobicContact CG2-CG2 4.28Å; V1021-I1049 WeakPolarHBondContact O-CA 3.26Å; C1022-I1049 HydrophobicContact CB-CG1 4.17Å; L1047-I1049 HydrophobicContact CB-CG1 4.37Å; I1049-L1062 HydrophobicContact CD1-CD2 3.81Å; I1049-L1130 HydrophobicContact CG2-CD1 4Å; I1049-L1130 HydrophobicContact CG2-CD2 4.12Å; I1049-L1130 HydrophobicContact CG2-CG 4.43Å; I1049-Q1132 PolarHBondContact N-O 3.38Å; I1049-F1134 HydrophobicContact CD1-CD2 3.79Å; I1049-F1134 HydrophobicContact CD1-CE2 4.15Å
1050G74.7Confident84.3Confident2 Ų233.1 Ų33.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-142.7158.8172.800000113V1021V1021-G1050 PolarHBondContact N-O 3.19Å; V1021-G1050 PolarHBondContact O-N 3.12Å
1051P79.9Confident84.3Confident14 Ų1431.8 Ų31.89%0.09118%0.18CC..SBendcis-71.6139.5-0.8-20.132.3000114W966 L1018 R1019 I1054W966-P1051 HydrophobicContact CB-CB 3.62Å; W966-P1051 HydrophobicContact CB-CG 3.89Å; W966-P1051 HydrophobicContact CD2-CB 3.98Å; W966-P1051 HydrophobicContact CD2-CG 3.86Å; W966-P1051 HydrophobicContact CE3-CB 4.39Å; W966-P1051 HydrophobicContact CE3-CG 3.75Å; W966-P1051 HydrophobicContact CG-CB 3.63Å; W966-P1051 HydrophobicContact CG-CG 3.94Å; L1018-P1051 HydrophobicContact CD1-CG 4.08Å; R1019-P1051 VanDerWaalsContact O-CD 3.28Å; R1019-P1051 WeakPolarHBondContact O-CD 3.25Å; P1051-I1054 HydrophobicContact CB-CD1 3.59Å; P1051-I1054 HydrophobicContact CB-CG1 4.08Å; P1051-I1054 HydrophobicContact CG-CD1 3.65Å
1052P79.9Confident84.3Confident42 Ų4231.7 Ų31.727%0.27318%0.178SC..THydrogen-bonded Turntrans-73.315517532.7-34.7000111.2I1054 L1130 Q1132P1052-I1054 PolarHBondContact O-N 3.4Å; P1052-L1130 CarbonylContact C-O 3.57Å; P1052-L1130 WeakPolarHBondContact CA-O 3.21Å; P1052-Q1132 HydrophobicContact CB-CB 4.06Å
1053G77.3Confident84.3Confident57 Ų5731.1 Ų31.159%0.58818%0.175SC*.THydrogen-bonded Turntrans78.4-9.7174.200000115.9R1055 L1130G1053-R1055 PolarHBondContact O-N 3.29Å; G1053-L1130 PolarHBondContact N-O 2.71Å
1054I79Confident84.3Confident47 Ų4731.2 Ų31.224%0.24118%0.176CC..  trans-57.9136.8173.1-73.9-176.3000110.6L1018 P1051 P1052 F1056 D1129 L1130L1018-I1054 HydrophobicContact CD1-CD1 3.32Å; L1018-I1054 HydrophobicContact CD2-CD1 3.83Å; L1018-I1054 HydrophobicContact CD2-CG2 4.03Å; L1018-I1054 HydrophobicContact CG-CD1 4.22Å; P1051-I1054 HydrophobicContact CB-CD1 3.59Å; P1051-I1054 HydrophobicContact CB-CG1 4.08Å; P1051-I1054 HydrophobicContact CG-CD1 3.65Å; P1052-I1054 PolarHBondContact O-N 3.4Å; I1054-F1056 HydrophobicContact CG2-CD1 4.45Å; I1054-F1056 HydrophobicContact CG2-CE1 3.97Å; I1054-F1056 HydrophobicContact CG2-CZ 4.07Å; I1054-D1129 WeakPolarHBondContact O-CA 3.22Å; I1054-D1129 WeakPolarHBondContact O-CB 3.29Å; I1054-L1130 PolarHBondContact O-N 3.38Å
1055R83.8Confident84.3Confident213 Ų21331.8 Ų31.880%0.80418%0.18SC*.EExtended strand (participates in β ladder)trans-113.5141.7175.1-66.3-175.6175.8-173.3-0.6111.7G1053 Y1128 D1129G1053-R1055 PolarHBondContact O-N 3.29Å; R1055-Y1128 CarbonylContact C-O 3.53Å; R1055-Y1128 WeakPolarHBondContact CA-O 3.2Å; R1055-D1129 HydrophobicContact CG-CB 4.19Å
1056F83.8Confident84.4Confident14 Ų1428.8 Ų28.86%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-105.2148.2179.6-61.1-61.9000111.5V1013 I1014 L1018 I1054 S1058 I1060 Y1128 L1130V1013-F1056 HydrophobicContact CG1-CB 3.66Å; V1013-F1056 HydrophobicContact CG1-CD1 4.15Å; V1013-F1056 HydrophobicContact CG1-CG 4.17Å; I1014-F1056 HydrophobicContact CD1-CE1 4.02Å; I1014-F1056 HydrophobicContact CG1-CD1 3.95Å; I1014-F1056 HydrophobicContact CG1-CE1 3.96Å; L1018-F1056 HydrophobicContact CD2-CE1 3.98Å; L1018-F1056 HydrophobicContact CD2-CZ 4.35Å; I1054-F1056 HydrophobicContact CG2-CD1 4.45Å; I1054-F1056 HydrophobicContact CG2-CE1 3.97Å; I1054-F1056 HydrophobicContact CG2-CZ 4.07Å; F1056-S1058 WeakPolarHBondContact CB-O 3.43Å; F1056-I1060 HydrophobicContact CB-CG2 4.43Å; F1056-I1060 HydrophobicContact CD1-CG2 4.15Å; F1056-I1060 HydrophobicContact CD2-CB 4.45Å; F1056-I1060 HydrophobicContact CD2-CD1 4.05Å; F1056-I1060 HydrophobicContact CD2-CG1 3.8Å; F1056-I1060 HydrophobicContact CD2-CG2 3.88Å; F1056-I1060 HydrophobicContact CE1-CG2 4.39Å; F1056-I1060 HydrophobicContact CE2-CD1 3.38Å; F1056-I1060 HydrophobicContact CE2-CG1 3.68Å; F1056-I1060 HydrophobicContact CE2-CG2 4.14Å; F1056-I1060 HydrophobicContact CG-CG2 3.89Å; F1056-I1060 HydrophobicContact CZ-CD1 3.82Å; F1056-I1060 HydrophobicContact CZ-CG1 4.44Å; F1056-I1060 HydrophobicContact CZ-CG2 4.39Å; F1056-Y1128 WeakPolarHBondContact CD2-O 3.38Å; F1056-Y1128 PolarHBondContact N-O 2.79Å; F1056-L1130 HydrophobicContact CE2-CD1 4.44Å; F1056-L1130 HydrophobicContact CE2-CD2 4.02Å; F1056-L1130 HydrophobicContact CE2-CG 3.8Å; F1056-L1130 HydrophobicContact CZ-CD1 4.07Å; F1056-L1130 HydrophobicContact CZ-CD2 4.38Å; F1056-L1130 HydrophobicContact CZ-CG 3.94Å
1057A82Confident84.5Confident81 Ų8131 Ų3167%0.66918%0.177SC*.EExtended strand (participates in β ladder)trans-73.3-27.5-177.700000113.6V1013V1013-A1057 PolarHBondContact O-N 3.1Å; V1013-A1057 VanDerWaalsContact O-N 3.1Å
1058S83Confident84.5Confident47 Ų4730.9 Ų30.933%0.32918%0.177SC..EExtended strand (participates in β ladder)trans-129161.8167.4-145.60000107.2V1013 F1056V1013-S1058 VanDerWaalsContact CG1-O 3.29Å; V1013-S1058 WeakPolarHBondContact CG1-O 3.43Å; F1056-S1058 WeakPolarHBondContact CB-O 3.43Å
1059P86.6Confident84.6Confident6 Ų631 Ų314%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-70.7147.3179.726.7-22.3000110.4T1103 L1126 T1127 Y1128P1059-T1103 HydrophobicContact CB-CG2 4.48Å; P1059-T1103 HydrophobicContact CG-CG2 3.79Å; P1059-T1103 WeakPolarHBondContact O-CG2 3.48Å; P1059-L1126 HydrophobicContact CB-CD2 4.2Å; P1059-L1126 HydrophobicContact CB-CG 4.18Å; P1059-L1126 HydrophobicContact CG-CD2 3.98Å; P1059-L1126 HydrophobicContact CG-CG 4.41Å; P1059-T1127 CarbonylContact C-O 3.47Å; P1059-T1127 VanDerWaalsContact CA-O 3.26Å; P1059-T1127 WeakPolarHBondContact CA-O 3.49Å; P1059-Y1128 HydrophobicContact CB-CD1 3.94Å; P1059-Y1128 HydrophobicContact CB-CE1 3.84Å; P1059-Y1128 HydrophobicContact CB-CE2 4.44Å; P1059-Y1128 HydrophobicContact CB-CG 4.29Å; P1059-Y1128 VanDerWaalsContact CD-CE1 3.48Å; P1059-Y1128 HydrophobicContact CG-CD1 4.38Å; P1059-Y1128 HydrophobicContact CG-CE1 3.78Å
1060I87.5Confident84.5Confident1 Ų134 Ų341%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-93.5157.1168.862.3160.8000110.1I1007 I1009 V1013 F1056 L1062 L1126 T1127 L1130I1007-I1060 HydrophobicContact CG2-CD1 4.09Å; I1009-I1060 HydrophobicContact CG1-CG2 4.3Å; I1009-I1060 HydrophobicContact CG2-CG2 4.45Å; V1013-I1060 HydrophobicContact CG1-CG2 3.87Å; F1056-I1060 HydrophobicContact CB-CG2 4.43Å; F1056-I1060 HydrophobicContact CD1-CG2 4.15Å; F1056-I1060 HydrophobicContact CD2-CB 4.45Å; F1056-I1060 HydrophobicContact CD2-CD1 4.05Å; F1056-I1060 HydrophobicContact CD2-CG1 3.8Å; F1056-I1060 HydrophobicContact CD2-CG2 3.88Å; F1056-I1060 HydrophobicContact CE1-CG2 4.39Å; F1056-I1060 HydrophobicContact CE2-CD1 3.38Å; F1056-I1060 HydrophobicContact CE2-CG1 3.68Å; F1056-I1060 HydrophobicContact CE2-CG2 4.14Å; F1056-I1060 HydrophobicContact CG-CG2 3.89Å; F1056-I1060 HydrophobicContact CZ-CD1 3.82Å; F1056-I1060 HydrophobicContact CZ-CG1 4.44Å; F1056-I1060 HydrophobicContact CZ-CG2 4.39Å; I1060-L1062 HydrophobicContact CD1-CD1 3.8Å; I1060-L1062 HydrophobicContact CG1-CD1 4.02Å; I1060-L1126 WeakPolarHBondContact O-CA 3.34Å; I1060-T1127 HydrophobicContact CD1-CG2 4.26Å; I1060-T1127 HydrophobicContact CG1-CG2 3.82Å; I1060-T1127 PolarHBondContact N-O 3.11Å; I1060-T1127 PolarHBondContact O-N 2.92Å; I1060-L1130 HydrophobicContact CD1-CD2 3.98Å
1061L89Confident84.3Confident1 Ų139.5 Ų39.51%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-110.5119.6176.2165.367.3000109.9F1008 E1063 V1100 L1104 R1124 L1126F1008-L1061 HydrophobicContact CB-CB 4.16Å; F1008-L1061 HydrophobicContact CD2-CD2 4.01Å; F1008-L1061 HydrophobicContact CD2-CG 4.18Å; F1008-L1061 HydrophobicContact CE2-CD2 4.48Å; F1008-L1061 HydrophobicContact CG-CD2 4.29Å; F1008-L1061 PolarHBondContact N-O 3.42Å; F1008-L1061 PolarHBondContact O-N 3.36Å; F1008-L1061 VanDerWaalsContact O-N 3.17Å; L1061-E1063 HydrophobicContact CD1-CG 4.37Å; L1061-E1063 HydrophobicContact CG-CG 4.39Å; L1061-V1100 HydrophobicContact CD1-CG2 4.41Å; L1061-V1100 HydrophobicContact CD2-CG1 3.95Å; L1061-L1104 HydrophobicContact CD2-CD1 4.09Å; L1061-R1124 HydrophobicContact CD1-CB 3.8Å; L1061-R1124 HydrophobicContact CD1-CG 3.81Å; L1061-L1126 HydrophobicContact CB-CD1 4.32Å; L1061-L1126 HydrophobicContact CD1-CD1 4.17Å
1062L88.6Confident83.5Confident4 Ų441 Ų412%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-98.4131.8166.1-60.279.6000108.8I1007 I1049 I1060 I1064 R1124 I1125 T1127 F1134I1007-L1062 HydrophobicContact CG1-CG 4.46Å; I1007-L1062 HydrophobicContact CG2-CG 4.38Å; I1049-L1062 HydrophobicContact CD1-CD2 3.81Å; I1060-L1062 HydrophobicContact CD1-CD1 3.8Å; I1060-L1062 HydrophobicContact CG1-CD1 4.02Å; L1062-I1064 HydrophobicContact CB-CD1 4.05Å; L1062-I1064 HydrophobicContact CD2-CD1 4.42Å; L1062-R1124 CarbonylContact O-C 3.56Å; L1062-R1124 WeakPolarHBondContact O-CA 3.41Å; L1062-I1125 HydrophobicContact CB-CB 4.29Å; L1062-I1125 PolarHBondContact N-O 2.9Å; L1062-I1125 PolarHBondContact O-N 3.45Å; L1062-T1127 HydrophobicContact CD1-CG2 3.79Å; L1062-F1134 HydrophobicContact CD2-CE2 4.42Å
1063E88.6Confident83.1Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-111122.7168.6-80.6179.7-179.500108.6L1005 R1006 F1008 L1061 L1117 I1122 H1123 R1124L1005-E1063 WeakPolarHBondContact CA-O 3.26Å; R1006-E1063 HydrophobicContact CB-CB 4.26Å; R1006-E1063 IonicContact CZ-OE2 3.97Å; R1006-E1063 VanDerWaalsContact CZ-OE2 3.23Å; R1006-E1063 PolarHBondContact N-O 2.95Å; R1006-E1063 IonicContact NE-OE2 2.83Å; R1006-E1063 PolarHBondContact NE-OE2 3.24Å; R1006-E1063 IonicContact NH2-OE2 2.65Å; R1006-E1063 PolarHBondContact NH2-OE2 3.37Å; R1006-E1063 PolarHBondContact O-N 3.3Å; F1008-E1063 HydrophobicContact CE2-CG 4.25Å; F1008-E1063 WeakPolarHBondContact CE2-OE2 3.19Å; L1061-E1063 HydrophobicContact CD1-CG 4.37Å; L1061-E1063 HydrophobicContact CG-CG 4.39Å; E1063-L1117 HydrophobicContact CG-CD1 4.27Å; E1063-L1117 WeakPolarHBondContact OE1-CD1 3.46Å; E1063-I1122 HydrophobicContact CB-CG2 3.8Å; E1063-I1122 HydrophobicContact CG-CG2 4.15Å; E1063-H1123 WeakPolarHBondContact CA-O 3.29Å; E1063-R1124 HydrophobicContact CG-CG 3.96Å; E1063-R1124 IonicContact OE1-CZ 2.65Å; E1063-R1124 VanDerWaalsContact OE1-CZ 3.3Å; E1063-R1124 IonicContact OE1-NE 3.8Å; E1063-R1124 PolarHBondContact OE1-NE 3.37Å; E1063-R1124 IonicContact OE1-NH2 3.8Å; E1063-R1124 PolarHBondContact OE1-NH2 3.45Å
1064I87.5Confident83.4Confident3 Ų346.5 Ų46.52%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-129.6127.8-169.3-71.9150.7000108.8L1005 L1047 L1062 H1123 I1125 L1136L1005-I1064 HydrophobicContact CD1-CB 4.3Å; L1005-I1064 HydrophobicContact CD1-CG1 3.56Å; L1047-I1064 HydrophobicContact CD1-CD1 3.67Å; L1047-I1064 HydrophobicContact CD1-CG1 4.15Å; L1047-I1064 HydrophobicContact CD1-CG2 4.05Å; L1062-I1064 HydrophobicContact CB-CD1 4.05Å; L1062-I1064 HydrophobicContact CD2-CD1 4.42Å; I1064-H1123 PolarHBondContact N-O 3.14Å; I1064-H1123 PolarHBondContact O-N 3.28Å; I1064-I1125 HydrophobicContact CD1-CD1 3.48Å; I1064-I1125 VanDerWaalsContact CD1-CD1 3.48Å; I1064-I1125 HydrophobicContact CD1-CG1 3.98Å; I1064-L1136 HydrophobicContact CB-CD2 4.44Å; I1064-L1136 HydrophobicContact CD1-CD1 4.45Å; I1064-L1136 HydrophobicContact CG2-CD1 4.36Å; I1064-L1136 HydrophobicContact CG2-CD2 3.83Å
1065P86.8Confident83.9Confident18 Ų1845.7 Ų45.712%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-66.9136.117428.1-33.8000110.8Y1002 D1004 Y1067Y1002-P1065 HydrophobicContact CD1-CG 4.43Å; D1004-P1065 HydrophobicContact CB-CB 4.46Å; P1065-Y1067 HydrophobicContact CB-CE2 4.4Å
1066H89Confident84.1Confident8 Ų837.3 Ų37.34%0.03721%0.209CC..  trans-119.7151175.376.172.3000111A1043 A1068 I1077 S1121A1043-H1066 HydrophobicContact CB-CB 4.48Å; H1066-A1068 PolarHBondContact ND1-O 2.91Å; H1066-I1077 HydrophobicContact CB-CD1 3.77Å; H1066-I1077 VanDerWaalsContact CG-CD1 3.41Å; H1066-S1121 VanDerWaalsContact CD2-C 3.43Å; H1066-S1121 PolarHBondContact CD2-O 3.36Å; H1066-S1121 VanDerWaalsContact CD2-O 3.24Å; H1066-S1121 PolarHBondContact N-O 2.85Å; H1066-S1121 WeakPolarHBondContact O-CB 3.43Å
1067Y88.7Confident84.3Confident47 Ų4737.8 Ų37.818%0.18421%0.212CC..  trans-121.41.2-173.6-55-77.1000113A1043 C1044 P1065 Y1315 I1316 T1339 D1340 F1395A1043-Y1067 PolarHBondContact O-N 3.17Å; C1044-Y1067 HydrophobicContact CB-CD2 4.26Å; C1044-Y1067 HydrophobicContact CB-CE2 4.48Å; P1065-Y1067 HydrophobicContact CB-CE2 4.4Å; Y1067-Y1315 CarbonylContact O-C 3.58Å; Y1067-Y1315 WeakPolarHBondContact O-CA 3.17Å; Y1067-I1316 PolarHBondContact O-N 3.41Å; Y1067-T1339 WeakPolarHBondContact CB-O 3.5Å; Y1067-T1339 WeakPolarHBondContact CD1-O 3.43Å; Y1067-D1340 HydrophobicContact CD2-CB 3.91Å; Y1067-D1340 HydrophobicContact CE2-CB 3.82Å; Y1067-D1340 HydrophobicContact CG-CB 4.37Å; Y1067-F1395 HydrophobicContact CD2-CE1 4.09Å
1068A88.1Confident84.7Confident0 Ų034.6 Ų34.60%018%0.184CC..BIsolated β-bridgetrans-65.5135.8168.400000111.7A1043 H1066 L1070 I1077 T1138A1043-A1068 HydrophobicContact CB-CB 3.97Å; H1066-A1068 PolarHBondContact ND1-O 2.91Å; A1068-L1070 HydrophobicContact CB-CD2 4.23Å; A1068-L1070 PolarHBondContact O-N 2.94Å; A1068-I1077 HydrophobicContact CB-CD1 4.45Å; A1068-T1138 HydrophobicContact CB-CG2 3.65Å
1069F88.5Confident85.1Confident42 Ų4233.2 Ų33.218%0.18417%0.173CC..  trans-87.9105.7178.9-175-106.5000110.5N1071 P1314 I1316 E1363F1069-N1071 HydrophobicContact CD1-CB 3.88Å; F1069-N1071 HydrophobicContact CE1-CB 3.32Å; F1069-N1071 HydrophobicContact CE2-CB 4.05Å; F1069-N1071 HydrophobicContact CG-CB 4.46Å; F1069-N1071 HydrophobicContact CZ-CB 3.42Å; F1069-N1071 VanDerWaalsContact CZ-CB 3.42Å; F1069-N1071 VanDerWaalsContact CZ-ND2 3.28Å; F1069-N1071 WeakPolarHBondContact CZ-ND2 3.37Å; F1069-N1071 PolarHBondContact O-N 2.99Å; F1069-P1314 HydrophobicContact CB-CB 4.03Å; F1069-P1314 HydrophobicContact CB-CG 4.4Å; F1069-P1314 WeakPolarHBondContact CB-O 3.32Å; F1069-P1314 HydrophobicContact CD1-CB 4.18Å; F1069-P1314 PolarHBondContact N-O 2.79Å; F1069-I1316 HydrophobicContact CB-CG1 4.31Å; F1069-I1316 HydrophobicContact CD2-CG1 4.18Å; F1069-E1363 HydrophobicContact CD1-CB 3.97Å; F1069-E1363 HydrophobicContact CD1-CG 3.74Å; F1069-E1363 HydrophobicContact CD2-CB 4.2Å; F1069-E1363 HydrophobicContact CE1-CB 3.64Å; F1069-E1363 HydrophobicContact CE1-CG 3.65Å; F1069-E1363 VanDerWaalsContact CE1-OE1 3.26Å; F1069-E1363 WeakPolarHBondContact CE1-OE1 3.4Å; F1069-E1363 HydrophobicContact CE2-CB 3.91Å; F1069-E1363 HydrophobicContact CG-CB 4.23Å; F1069-E1363 HydrophobicContact CG-CG 4.31Å; F1069-E1363 HydrophobicContact CZ-CB 3.61Å; F1069-E1363 HydrophobicContact CZ-CG 4.17Å
1070L82.8Confident85.3Confident66 Ų6634.2 Ų34.235%0.34618%0.178SC..  trans-97.834.4-172.1-55.7-179.1000113.6A1068 R1075 I1077A1068-L1070 HydrophobicContact CB-CD2 4.23Å; A1068-L1070 PolarHBondContact O-N 2.94Å; L1070-R1075 HydrophobicContact CD2-CB 4.26Å; L1070-I1077 HydrophobicContact CD1-CD1 3.83Å; L1070-I1077 HydrophobicContact CD1-CG1 4.02Å; L1070-I1077 HydrophobicContact CD2-CD1 4.47Å; L1070-I1077 HydrophobicContact CD2-CG1 4.06Å
1071N69.5Low85.5Confident119 Ų11935.8 Ų35.864%0.63618%0.184SC*.  trans-87.6130.3-172.4-128.7-23.5000111.4F1069F1069-N1071 HydrophobicContact CD1-CB 3.88Å; F1069-N1071 HydrophobicContact CE1-CB 3.32Å; F1069-N1071 HydrophobicContact CE2-CB 4.05Å; F1069-N1071 HydrophobicContact CG-CB 4.46Å; F1069-N1071 HydrophobicContact CZ-CB 3.42Å; F1069-N1071 VanDerWaalsContact CZ-CB 3.42Å; F1069-N1071 VanDerWaalsContact CZ-ND2 3.28Å; F1069-N1071 WeakPolarHBondContact CZ-ND2 3.37Å; F1069-N1071 PolarHBondContact O-N 2.99Å
1072G63Low85.6Confident45 Ų4535.7 Ų35.746%0.46418%0.183SC..SBendtrans74.4157-160.200000112.1N1074G1072-N1074 PolarHBondContact O-N 2.84Å
1073K72.6Confident85.4Confident156 Ų15638.3 Ų38.368%0.67820%0.197SC*.THydrogen-bonded Turntrans-77.124.6-172.3-61.1-177.7-179.6178.70113.6K1141 V1158K1073-K1141 WeakPolarHBondContact O-CD 3.25Å; K1073-V1158 WeakPolarHBondContact O-CG2 3.16Å
1074N82.3Confident85Confident59 Ų5941.4 Ų41.432%0.31621%0.214SC..THydrogen-bonded Turntrans-94.8-24.8-158.8-55.64.6000113.4G1072 K1141 V1158 P1183G1072-N1074 PolarHBondContact O-N 2.84Å; N1074-K1141 PolarHBondContact O-N 3.11Å; N1074-V1158 HydrophobicContact CB-CG1 4.44Å; N1074-V1158 WeakPolarHBondContact OD1-CG1 3.4Å; N1074-P1183 WeakPolarHBondContact ND2-CG 3.39Å
1075R89.2Confident84.4Confident29 Ų2942 Ų4211%0.10922%0.22CC..EExtended strand (participates in β ladder)trans-126.1157.1-179.7-63.7-171.773.293.55.2111G1039 L1070 T1138 R1139G1039-R1075 PolarHBondContact O-NH1 3.13Å; G1039-R1075 PolarHBondContact O-NH2 2.86Å; L1070-R1075 HydrophobicContact CD2-CB 4.26Å; R1075-T1138 PolarHBondContact NE-OG1 2.82Å; R1075-T1138 PolarHBondContact NH2-O 3.37Å; R1075-T1138 PolarHBondContact NH2-OG1 2.87Å; R1075-R1139 CarbonylContact C-O 3.56Å; R1075-R1139 VanDerWaalsContact CA-O 3.24Å; R1075-R1139 WeakPolarHBondContact CA-O 3.31Å; R1075-R1139 WeakPolarHBondContact CB-O 3.39Å
1076E88.2Confident83.9Confident38 Ų3847.5 Ų47.518%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-130.1166.3174.663.1-169.6-140.500110.6V1078 T1138 R1139 K1141 Q1142E1076-V1078 HydrophobicContact CG-CG2 4.27Å; E1076-T1138 VanDerWaalsContact O-CA 3.25Å; E1076-T1138 WeakPolarHBondContact O-CA 3.29Å; E1076-T1138 PolarHBondContact O-OG1 3.2Å; E1076-R1139 HydrophobicContact CG-CG 3.68Å; E1076-R1139 PolarHBondContact N-O 3.33Å; E1076-R1139 PolarHBondContact O-N 3.24Å; E1076-R1139 IonicContact OE1-CZ 2.78Å; E1076-R1139 IonicContact OE1-NE 2.69Å; E1076-R1139 PolarHBondContact OE1-NE 3.2Å; E1076-R1139 IonicContact OE1-NH2 3.87Å; E1076-R1139 PolarHBondContact OE1-NH2 3.16Å; E1076-K1141 HydrophobicContact CB-CG 4.41Å; E1076-K1141 VanDerWaalsContact OE2-CA 3.29Å; E1076-K1141 WeakPolarHBondContact OE2-CA 3.47Å; E1076-K1141 WeakPolarHBondContact OE2-CG 3.4Å; E1076-Q1142 PolarHBondContact OE2-N 3.41Å
1077I89.8Confident83.5Confident24 Ų2450.2 Ų50.212%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-108.9139.5167.5-67.1-180000108.1A1043 H1066 A1068 L1070 L1136 I1137A1043-I1077 HydrophobicContact CB-CD1 4.21Å; A1043-I1077 HydrophobicContact CB-CG1 4.37Å; H1066-I1077 HydrophobicContact CB-CD1 3.77Å; H1066-I1077 VanDerWaalsContact CG-CD1 3.41Å; A1068-I1077 HydrophobicContact CB-CD1 4.45Å; L1070-I1077 HydrophobicContact CD1-CD1 3.83Å; L1070-I1077 HydrophobicContact CD1-CG1 4.02Å; L1070-I1077 HydrophobicContact CD2-CD1 4.47Å; L1070-I1077 HydrophobicContact CD2-CG1 4.06Å; I1077-L1136 HydrophobicContact CG2-CB 4.27Å; I1077-L1136 HydrophobicContact CG2-CD2 4.47Å; I1077-I1137 CarbonylContact C-O 3.26Å; I1077-I1137 WeakPolarHBondContact CA-O 3.15Å
1078V89.6Confident83.3Confident13 Ų1350.3 Ų50.38%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-128.1142.4-178.1-173.90000107.8E1076 L1080 E1090 L1136 I1137 R1139E1076-V1078 HydrophobicContact CG-CG2 4.27Å; V1078-L1080 HydrophobicContact CG1-CD2 4.37Å; V1078-E1090 HydrophobicContact CG1-CG 3.93Å; V1078-E1090 WeakPolarHBondContact CG1-OE1 3.21Å; V1078-L1136 CarbonylContact O-C 3.57Å; V1078-L1136 WeakPolarHBondContact O-CA 3.39Å; V1078-I1137 PolarHBondContact N-O 3.48Å; V1078-I1137 PolarHBondContact O-N 2.84Å; V1078-R1139 HydrophobicContact CG2-CG 3.7Å; V1078-R1139 VanDerWaalsContact CG2-NE 3.35Å
1079I92Very high83.3Confident19 Ų1955.2 Ų55.210%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-104.7119.4175.4-58.7146.4000107.5H1091 I1125 F1134I1079-H1091 HydrophobicContact CB-CB 3.91Å; I1079-H1091 HydrophobicContact CG2-CB 3.65Å; I1079-H1091 PolarHBondContact O-N 3.24Å; I1079-I1125 HydrophobicContact CD1-CB 4.35Å; I1079-I1125 HydrophobicContact CD1-CD1 4.14Å; I1079-I1125 HydrophobicContact CD1-CG1 3.71Å; I1079-I1125 HydrophobicContact CD1-CG2 4.25Å; I1079-I1125 HydrophobicContact CG1-CD1 4.02Å; I1079-I1125 HydrophobicContact CG1-CG1 4.11Å; I1079-I1125 HydrophobicContact CG2-CD1 3.93Å; I1079-F1134 HydrophobicContact CG2-CD1 3.61Å; I1079-F1134 HydrophobicContact CG2-CE1 4.03Å
1080L91Very high83.2Confident27 Ų2756.7 Ų56.714%0.14129%0.29CS..EExtended strand (participates in β ladder)trans-96.2144.7159.9-54.1-171000109.4P1034 V1078 W1088 K1089 E1090 F1134 A1135 I1137P1034-L1080 HydrophobicContact CB-CD1 4.11Å; V1078-L1080 HydrophobicContact CG1-CD2 4.37Å; L1080-W1088 HydrophobicContact CB-CE3 3.93Å; L1080-W1088 HydrophobicContact CD1-CB 4.32Å; L1080-K1089 CarbonylContact C-O 3.16Å; L1080-K1089 VanDerWaalsContact CA-O 3.28Å; L1080-K1089 WeakPolarHBondContact CA-O 3.31Å; L1080-E1090 HydrophobicContact CD2-CB 4.17Å; L1080-F1134 WeakPolarHBondContact O-CA 3.44Å; L1080-A1135 HydrophobicContact CB-CB 4.38Å; L1080-A1135 PolarHBondContact N-O 3.44Å; L1080-A1135 PolarHBondContact O-N 2.88Å; L1080-I1137 HydrophobicContact CD1-CD1 3.5Å; L1080-I1137 HydrophobicContact CG-CD1 3.85Å
1081R91.5Very high83.5Confident33 Ų3354.6 Ų54.613%0.12528%0.279CS..EExtended strand (participates in β ladder)trans-116.4148.4167.857.4180-73.8165-5.2110.3D1083 K1089 D1129 P1131 Y1133 F1134R1081-D1083 IonicContact CZ-OD1 3.83Å; R1081-D1083 VanDerWaalsContact CZ-OD1 3.31Å; R1081-D1083 IonicContact NE-OD1 3.16Å; R1081-D1083 PolarHBondContact NE-OD1 2.68Å; R1081-D1083 IonicContact NH2-OD1 2.88Å; R1081-D1083 PolarHBondContact NH2-OD1 2.82Å; R1081-K1089 PolarHBondContact N-O 3.08Å; R1081-K1089 PolarHBondContact O-N 3.13Å; R1081-D1129 IonicContact CZ-OD1 2.72Å; R1081-D1129 IonicContact CZ-OD2 3.17Å; R1081-D1129 IonicContact NH1-OD1 2.69Å; R1081-D1129 PolarHBondContact NH1-OD1 3.25Å; R1081-D1129 IonicContact NH1-OD2 3.19Å; R1081-D1129 PolarHBondContact NH1-OD2 3.41Å; R1081-D1129 IonicContact NH2-OD1 2.68Å; R1081-D1129 IonicContact NH2-OD2 2.83Å; R1081-D1129 PolarHBondContact NH2-OD2 3.24Å; R1081-P1131 HydrophobicContact CB-CB 3.93Å; R1081-P1131 HydrophobicContact CB-CG 3.81Å; R1081-Y1133 CarbonylContact C-O 3.57Å; R1081-Y1133 WeakPolarHBondContact CA-O 3.45Å; R1081-F1134 HydrophobicContact CB-CD1 4.04Å; R1081-F1134 HydrophobicContact CB-CE1 4.08Å
1082S89.8Confident84.1Confident0 Ų055.4 Ų55.40%028%0.282CS..EExtended strand (participates in β ladder)trans-127.8123.9165.7-171.70000110.1N1084 G1085 T1087 P1131 Q1132 Y1133S1082-N1084 VanDerWaalsContact C-N 3.31Å; S1082-G1085 WeakPolarHBondContact OG-CA 3.48Å; S1082-G1085 PolarHBondContact OG-N 3.47Å; S1082-T1087 VanDerWaalsContact CA-O 3.29Å; S1082-T1087 WeakPolarHBondContact CA-O 3.32Å; S1082-T1087 WeakPolarHBondContact CB-O 3.44Å; S1082-T1087 PolarHBondContact OG-O 3.13Å; S1082-P1131 WeakPolarHBondContact O-CB 3.36Å; S1082-Q1132 PolarHBondContact O-N 2.65Å; S1082-Q1132 VanDerWaalsContact O-N 3.15Å; S1082-Y1133 PolarHBondContact N-O 3.04Å; S1082-Y1133 PolarHBondContact O-N 3.44Å
1083D84.7Confident85Confident59 Ų5955.8 Ų55.832%0.31627%0.274SS..SBendtrans-82-14.8-178.4-43.2-57.9000111.7R1081 K1089R1081-D1083 IonicContact CZ-OD1 3.83Å; R1081-D1083 VanDerWaalsContact CZ-OD1 3.31Å; R1081-D1083 IonicContact NE-OD1 3.16Å; R1081-D1083 PolarHBondContact NE-OD1 2.68Å; R1081-D1083 IonicContact NH2-OD1 2.88Å; R1081-D1083 PolarHBondContact NH2-OD1 2.82Å; D1083-K1089 IonicContact OD2-NZ 3.56Å; D1083-K1089 PolarHBondContact OD2-NZ 3.26Å
1084N81.2Confident85.3Confident65 Ų6554.9 Ų54.935%0.34828%0.276SS..SBendtrans-144.710.4-17379-39.1000115.4S1082 E1086 T1087 Q1132S1082-N1084 VanDerWaalsContact C-N 3.31Å; N1084-E1086 PolarHBondContact ND2-OE2 2.87Å; N1084-E1086 PolarHBondContact O-N 2.92Å; N1084-E1086 PolarHBondContact OD1-N 2.53Å; N1084-T1087 PolarHBondContact OD1-N 2.88Å; N1084-T1087 PolarHBondContact OD1-OG1 2.78Å; N1084-Q1132 VanDerWaalsContact CA-OE1 3.28Å
1085G73.8Confident85.2Confident14 Ų1452.8 Ų52.814%0.14427%0.267CS..SBendtrans74.9-21.6-176.700000116.2S1082S1082-G1085 WeakPolarHBondContact OG-CA 3.48Å; S1082-G1085 PolarHBondContact OG-N 3.47Å
1086E76.5Confident84.9Confident135 Ų13554.7 Ų54.763%0.63128%0.282SS*.SBendtrans-93.1-41.9-179.4-53.8175.8141.700112.7N1084N1084-E1086 PolarHBondContact ND2-OE2 2.87Å; N1084-E1086 PolarHBondContact O-N 2.92Å; N1084-E1086 PolarHBondContact OD1-N 2.53Å
1087T80.4Confident84.7Confident65 Ų6555.8 Ų55.840%0.39929%0.289SS..  trans-107.1123-171.665.50000111.8S1082 N1084S1082-T1087 VanDerWaalsContact CA-O 3.29Å; S1082-T1087 WeakPolarHBondContact CA-O 3.32Å; S1082-T1087 WeakPolarHBondContact CB-O 3.44Å; S1082-T1087 PolarHBondContact OG-O 3.13Å; N1084-T1087 PolarHBondContact OD1-N 2.88Å; N1084-T1087 PolarHBondContact OD1-OG1 2.78Å
1088W85.5Confident84.3Confident48 Ų4860.1 Ų60.118%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-108.6132.8-177.1-66.588000111.6M1030 S1032 P1034 L1046 L1080 Y1133 A1135M1030-W1088 HydrophobicContact CE-CH2 4.04Å; M1030-W1088 HydrophobicContact CE-CZ2 3.5Å; M1030-W1088 HydrophobicContact SD-CZ2 4.4Å; S1032-W1088 PolarHBondContact O-NE1 3.46Å; P1034-W1088 HydrophobicContact CB-CD2 3.84Å; P1034-W1088 HydrophobicContact CB-CE3 4.07Å; P1034-W1088 HydrophobicContact CB-CG 4.19Å; L1046-W1088 HydrophobicContact CD2-CH2 4.22Å; L1080-W1088 HydrophobicContact CB-CE3 3.93Å; L1080-W1088 HydrophobicContact CD1-CB 4.32Å; W1088-Y1133 HydrophobicContact CH2-CG 4.29Å; W1088-A1135 HydrophobicContact CE3-CB 4.25Å; W1088-A1135 HydrophobicContact CH2-CB 4.24Å; W1088-A1135 HydrophobicContact CZ3-CB 3.6Å
1089K87.4Confident84Confident103 Ų10360.7 Ų60.745%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-136.3142.2-174.7-58.9163.5-160.2155.60110.2L1080 R1081 D1083 H1091L1080-K1089 CarbonylContact C-O 3.16Å; L1080-K1089 VanDerWaalsContact CA-O 3.28Å; L1080-K1089 WeakPolarHBondContact CA-O 3.31Å; R1081-K1089 PolarHBondContact N-O 3.08Å; R1081-K1089 PolarHBondContact O-N 3.13Å; D1083-K1089 IonicContact OD2-NZ 3.56Å; D1083-K1089 PolarHBondContact OD2-NZ 3.26Å; K1089-H1091 PolarHBondContact O-N 3.4Å
1090E86.5Confident83.6Confident73 Ų7360 Ų6034%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-67.2128.5174.4-164.7171.5-128.700109.7V1078 L1080 R1139V1078-E1090 HydrophobicContact CG1-CG 3.93Å; V1078-E1090 WeakPolarHBondContact CG1-OE1 3.21Å; L1080-E1090 HydrophobicContact CD2-CB 4.17Å; E1090-R1139 IonicContact OE1-CZ 3.83Å; E1090-R1139 IonicContact OE1-NH1 2.77Å; E1090-R1139 PolarHBondContact OE1-NH1 3.42Å; E1090-R1139 IonicContact OE1-NH2 3.21Å; E1090-R1139 PolarHBondContact OE1-NH2 2.93Å; E1090-R1139 VanDerWaalsContact OE1-NH2 3.12Å
1091H89.5Confident83.2Confident22 Ų2265.2 Ų65.210%0.10234%0.335CS..  trans-75.5136.3-179.5-173.565.6000110.6I1079 K1089 L1126I1079-H1091 HydrophobicContact CB-CB 3.91Å; I1079-H1091 HydrophobicContact CG2-CB 3.65Å; I1079-H1091 PolarHBondContact O-N 3.24Å; K1089-H1091 PolarHBondContact O-N 3.4Å; H1091-L1126 PolarHBondContact NE2-O 2.93Å
1092L82Confident82.7Confident136 Ų13668.5 Ų68.571%0.71236%0.355SS*.  trans-103.57.1-162.4-60.8177.5000115.1
1093L81.8Confident82.3Confident54 Ų5469.2 Ų69.228%0.28336%0.36SS..  trans-111.3105.4-174.7-83.1152.5000111.8A1095 L1126 Y1128L1093-A1095 PolarHBondContact O-N 2.86Å; L1093-L1126 HydrophobicContact CB-CB 4.39Å; L1093-L1126 WeakPolarHBondContact CB-O 3.44Å; L1093-Y1128 HydrophobicContact CD1-CD2 3.65Å; L1093-Y1128 HydrophobicContact CD1-CE2 3.94Å; L1093-Y1128 HydrophobicContact CD2-CD2 4.49Å; L1093-Y1128 HydrophobicContact CD2-CE2 3.92Å
1094D77.8Confident82Confident136 Ų13666.7 Ų66.773%0.72735%0.346SS*.  trans-74.8111176.9-69.7-42.2000111.3T1096D1094-T1096 HydrophobicContact CB-CG2 4.16Å; D1094-T1096 PolarHBondContact O-N 2.88Å
1095A81.8Confident81.7Confident15 Ų1569.5 Ų69.512%0.12436%0.361CS..  trans-76.760.7176.400000112.7L1093 V1100 R1124 L1126L1093-A1095 PolarHBondContact O-N 2.86Å; A1095-V1100 HydrophobicContact CB-CG2 4.48Å; A1095-R1124 HydrophobicContact CB-CB 3.5Å; A1095-R1124 VanDerWaalsContact CB-CB 3.5Å; A1095-L1126 HydrophobicContact CB-CB 4.16Å; A1095-L1126 HydrophobicContact CB-CD1 4.18Å
1096T82.7Confident81.5Confident70 Ų7072 Ų7243%0.42939%0.387SS..  trans-67.5152.617467.30000111.4D1094 Q1098 A1099 V1100D1094-T1096 HydrophobicContact CB-CG2 4.16Å; D1094-T1096 PolarHBondContact O-N 2.88Å; T1096-Q1098 PolarHBondContact O-N 2.9Å; T1096-A1099 PolarHBondContact O-N 3.31Å; T1096-A1099 WeakPolarHBondContact OG1-CB 3.28Å; T1096-A1099 PolarHBondContact OG1-N 3.2Å; T1096-V1100 WeakPolarHBondContact O-CG2 3.28Å; T1096-V1100 PolarHBondContact O-N 3.41Å
1097D83Confident81.1Confident61 Ų6170.4 Ų70.433%0.32638%0.38SS..Hα-helixtrans-58.2-35179.7-74.5-35.7000112.8V1100 Q1101 L1114 R1124D1097-V1100 PolarHBondContact O-N 2.56Å; D1097-Q1101 VanDerWaalsContact O-CB 3.31Å; D1097-Q1101 WeakPolarHBondContact O-CB 3.27Å; D1097-Q1101 PolarHBondContact O-N 3.42Å; D1097-L1114 WeakPolarHBondContact OD1-CB 3.35Å; D1097-L1114 PolarHBondContact OD1-N 3.42Å; D1097-L1114 WeakPolarHBondContact OD2-CB 3.12Å; D1097-L1114 PolarHBondContact OD2-N 3.17Å; D1097-R1124 IonicContact OD1-NH1 2.64Å; D1097-R1124 PolarHBondContact OD1-NH1 3.37Å
1098Q81.7Confident80.5Confident115 Ų11569.4 Ų69.454%0.53737%0.37SS..Hα-helixtrans-63.7-51.5172.4-173.368.16300111.1T1096 V1100 Q1101 D1102T1096-Q1098 PolarHBondContact O-N 2.9Å; Q1098-V1100 VanDerWaalsContact C-N 3.25Å; Q1098-V1100 PolarHBondContact O-N 2.2Å; Q1098-Q1101 PolarHBondContact O-N 2.68Å; Q1098-Q1101 VanDerWaalsContact O-N 3.1Å; Q1098-D1102 PolarHBondContact NE2-OD1 3.45Å; Q1098-D1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-D1102 PolarHBondContact O-N 2.97Å
1099A83.3Confident79.3Confident25 Ų2574.9 Ų74.921%0.20740%0.402CS..Hα-helixtrans-61.5-33.4178.500000112.7T1096 T1103 L1126T1096-A1099 PolarHBondContact O-N 3.31Å; T1096-A1099 WeakPolarHBondContact OG1-CB 3.28Å; T1096-A1099 PolarHBondContact OG1-N 3.2Å; A1099-T1103 WeakPolarHBondContact O-CB 3.44Å; A1099-T1103 PolarHBondContact O-N 2.78Å; A1099-T1103 PolarHBondContact O-OG1 2.89Å; A1099-L1126 HydrophobicContact CB-CD2 4.28Å
1100V83Confident78Confident4 Ų479.1 Ų79.12%0.02442%0.417CS..Hα-helixtrans-67.5-45.3173.1169.60000110.9L1061 A1095 T1096 D1097 Q1098 T1103 L1104 L1126L1061-V1100 HydrophobicContact CD1-CG2 4.41Å; L1061-V1100 HydrophobicContact CD2-CG1 3.95Å; A1095-V1100 HydrophobicContact CB-CG2 4.48Å; T1096-V1100 WeakPolarHBondContact O-CG2 3.28Å; T1096-V1100 PolarHBondContact O-N 3.41Å; D1097-V1100 PolarHBondContact O-N 2.56Å; Q1098-V1100 VanDerWaalsContact C-N 3.25Å; Q1098-V1100 PolarHBondContact O-N 2.2Å; V1100-T1103 PolarHBondContact O-N 2.9Å; V1100-L1104 HydrophobicContact CG1-CD1 3.75Å; V1100-L1104 HydrophobicContact CG1-CG 4.27Å; V1100-L1104 WeakPolarHBondContact O-CB 3.06Å; V1100-L1104 WeakPolarHBondContact O-CG 3.38Å; V1100-L1104 PolarHBondContact O-N 3.43Å; V1100-L1126 HydrophobicContact CG2-CD1 3.88Å
1101Q82.7Confident77Confident137 Ų13777.5 Ų77.564%0.6442%0.416SS*.Hα-helixtrans-63.1-44.1177.4-171.7169.112.800111.7D1097 Q1098 T1103 D1105D1097-Q1101 VanDerWaalsContact O-CB 3.31Å; D1097-Q1101 WeakPolarHBondContact O-CB 3.27Å; D1097-Q1101 PolarHBondContact O-N 3.42Å; Q1098-Q1101 PolarHBondContact O-N 2.68Å; Q1098-Q1101 VanDerWaalsContact O-N 3.1Å; Q1101-T1103 PolarHBondContact O-N 2.79Å; Q1101-D1105 PolarHBondContact O-N 2.95Å
1102D81.7Confident76.1Confident102 Ų10277 Ų7755%0.54542%0.416SS..Hα-helixtrans-64.9-23.4175.3-60.3-16.1000112.8Q1098Q1098-D1102 PolarHBondContact NE2-OD1 3.45Å; Q1098-D1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-D1102 PolarHBondContact O-N 2.97Å
1103T81Confident75.9Confident14 Ų1472.4 Ų72.49%0.08640%0.396CS..Hα-helixtrans-91.2-38.8-179.3-64.80000112.8P1010 P1059 A1099 V1100 Q1101P1010-T1103 HydrophobicContact CG-CG2 4.5Å; P1059-T1103 HydrophobicContact CB-CG2 4.48Å; P1059-T1103 HydrophobicContact CG-CG2 3.79Å; P1059-T1103 WeakPolarHBondContact O-CG2 3.48Å; A1099-T1103 WeakPolarHBondContact O-CB 3.44Å; A1099-T1103 PolarHBondContact O-N 2.78Å; A1099-T1103 PolarHBondContact O-OG1 2.89Å; V1100-T1103 PolarHBondContact O-N 2.9Å; Q1101-T1103 PolarHBondContact O-N 2.79Å
1104L79.6Confident75.6Confident7 Ų771.9 Ų71.94%0.03739%0.393CS..Hα-helixtrans-83.6-23.6-180-61.8179.5000112F1008 P1010 L1061 V1100 G1106 H1107 F1108 A1111F1008-L1104 HydrophobicContact CB-CD2 4Å; P1010-L1104 HydrophobicContact CG-CD2 4.32Å; L1061-L1104 HydrophobicContact CD2-CD1 4.09Å; V1100-L1104 HydrophobicContact CG1-CD1 3.75Å; V1100-L1104 HydrophobicContact CG1-CG 4.27Å; V1100-L1104 WeakPolarHBondContact O-CB 3.06Å; V1100-L1104 WeakPolarHBondContact O-CG 3.38Å; V1100-L1104 PolarHBondContact O-N 3.43Å; L1104-G1106 PolarHBondContact O-N 3.17Å; L1104-H1107 WeakPolarHBondContact O-CB 3.47Å; L1104-H1107 PolarHBondContact O-N 3.36Å; L1104-H1107 PolarHBondContact O-ND1 3.34Å; L1104-F1108 HydrophobicContact CD2-CD2 3.93Å; L1104-F1108 HydrophobicContact CD2-CE2 4.19Å; L1104-A1111 HydrophobicContact CD1-CB 3.49Å; L1104-A1111 VanDerWaalsContact CD1-CB 3.49Å
1105D74.2Confident75.5Confident123 Ų12372.7 Ų72.766%0.65839%0.393SS*.THydrogen-bonded Turntrans51.233.2168.3-150.623.9000114.1Q1101 H1107Q1101-D1105 PolarHBondContact O-N 2.95Å; D1105-H1107 PolarHBondContact O-N 2.82Å; D1105-H1107 PolarHBondContact O-ND1 2.9Å
1106G68.4Low75.3Confident67 Ų6776 Ų7669%0.69141%0.406SS*.THydrogen-bonded Turntrans80.71.7-178.300000116.6L1104 F1108L1104-G1106 PolarHBondContact O-N 3.17Å; G1106-F1108 VanDerWaalsContact C-N 3.26Å; G1106-F1108 PolarHBondContact O-N 2.76Å
1107H68.6Low75.1Confident102 Ų10272.7 Ų72.747%0.47239%0.385SS..SBendtrans-73.1-8.9-175.4-64.289000115.4L1104 D1105L1104-H1107 WeakPolarHBondContact O-CB 3.47Å; L1104-H1107 PolarHBondContact O-N 3.36Å; L1104-H1107 PolarHBondContact O-ND1 3.34Å; D1105-H1107 PolarHBondContact O-N 2.82Å; D1105-H1107 PolarHBondContact O-ND1 2.9Å
1108F69Low74.8Confident44 Ų4477.3 Ų77.319%0.19340%0.398CS..  trans-136.5116.6179-62.7-88.4000110.3L996 F1008 L1104 G1106 Y1110L996-F1108 HydrophobicContact CB-CD1 4.47Å; L996-F1108 HydrophobicContact CB-CE1 3.99Å; F1008-F1108 HydrophobicContact CB-CE2 4.46Å; F1008-F1108 HydrophobicContact CD1-CB 4.36Å; F1008-F1108 AromaticContact CD1-CD1 3.99Å; F1008-F1108 HydrophobicContact CD1-CD1 3.99Å; F1008-F1108 HydrophobicContact CD1-CD2 4.11Å; F1008-F1108 HydrophobicContact CD1-CE1 4.26Å; F1008-F1108 HydrophobicContact CD1-CE2 4.36Å; F1008-F1108 AromaticContact CD1-CG 3.9Å; F1008-F1108 HydrophobicContact CD1-CG 3.9Å; F1008-F1108 HydrophobicContact CD1-CZ 4.43Å; F1008-F1108 HydrophobicContact CE1-CB 4.41Å; F1008-F1108 HydrophobicContact CE1-CD1 4.39Å; F1008-F1108 HydrophobicContact CE1-CG 4.36Å; L1104-F1108 HydrophobicContact CD2-CD2 3.93Å; L1104-F1108 HydrophobicContact CD2-CE2 4.19Å; G1106-F1108 VanDerWaalsContact C-N 3.26Å; G1106-F1108 PolarHBondContact O-N 2.76Å; F1108-Y1110 PolarHBondContact O-N 3.23Å
1109D60Low74.6Confident162 Ų16276 Ų7687%0.86641%0.407SS*.THydrogen-bonded Turntrans-65.3-8.1-174.7-64.7-56.7000115.4
1110Y59.7Low74.4Confident192 Ų19280.5 Ų80.575%0.75342%0.422SS*.THydrogen-bonded Turntrans-142.456.4-169-106.2-85.4000114.9F1108F1108-Y1110 PolarHBondContact O-N 3.23Å
1111A64.6Low74.5Confident40 Ų4081.9 Ų81.933%0.33143%0.432SS..  trans-89.4104.5159.500000109.8L1104L1104-A1111 HydrophobicContact CD1-CB 3.49Å; L1104-A1111 VanDerWaalsContact CD1-CB 3.49Å
1112G70.8Confident74.7Confident10 Ų1075.6 Ų75.610%0.10340%0.403CS..  trans-65.7159.3-179.300000113E1116 R1124G1112-E1116 WeakPolarHBondContact CA-OE2 3.32Å; G1112-R1124 PolarHBondContact O-NH1 2.82Å; G1112-R1124 PolarHBondContact O-NH2 3.3Å
1113S77.7Confident75Confident40 Ų4072.9 Ų72.928%0.2839%0.387SS..  trans-65.5159.2175.559.60000113E1115 E1116 L1117S1113-E1115 PolarHBondContact O-N 3.04Å; S1113-E1116 WeakPolarHBondContact CB-OE1 3.26Å; S1113-E1116 PolarHBondContact N-OE1 3.49Å; S1113-E1116 VanDerWaalsContact N-OE1 3.1Å; S1113-E1116 PolarHBondContact O-N 3.02Å; S1113-E1116 VanDerWaalsContact O-N 3.13Å; S1113-E1116 VanDerWaalsContact OG-CG 3.3Å; S1113-E1116 WeakPolarHBondContact OG-CG 3.36Å; S1113-E1116 PolarHBondContact OG-N 3.31Å; S1113-E1116 PolarHBondContact OG-OE1 3.27Å; S1113-L1117 PolarHBondContact O-N 2.93Å
1114L75.7Confident75.5Confident44 Ų4472.7 Ų72.723%0.2338%0.384CS..Hα-helixtrans-59.5-25.8173.3-17563.2000112.3D1097 R1118D1097-L1114 WeakPolarHBondContact OD1-CB 3.35Å; D1097-L1114 PolarHBondContact OD1-N 3.42Å; D1097-L1114 WeakPolarHBondContact OD2-CB 3.12Å; D1097-L1114 PolarHBondContact OD2-N 3.17Å; L1114-R1118 WeakPolarHBondContact O-CB 3.11Å; L1114-R1118 WeakPolarHBondContact O-CD 3.4Å; L1114-R1118 WeakPolarHBondContact O-CG 3.4Å; L1114-R1118 PolarHBondContact O-N 3.18Å
1115E75.4Confident76Confident153 Ų15372.3 Ų72.372%0.71538%0.382SS*.Hα-helixtrans-73.4-44.2174-59-163.8146.900111.9S1113 L1117 R1118 A1119S1113-E1115 PolarHBondContact O-N 3.04Å; E1115-L1117 PolarHBondContact O-N 2.88Å; E1115-R1118 PolarHBondContact O-N 3.36Å; E1115-A1119 PolarHBondContact O-N 2.99Å
1116E78.2Confident76.7Confident84 Ų8466.8 Ų66.839%0.39335%0.353SS..Hα-helixtrans-62.5-40172.1-74.4160.7-113.600112.9G1112 S1113 A1119 K1120G1112-E1116 WeakPolarHBondContact CA-OE2 3.32Å; S1113-E1116 WeakPolarHBondContact CB-OE1 3.26Å; S1113-E1116 PolarHBondContact N-OE1 3.49Å; S1113-E1116 VanDerWaalsContact N-OE1 3.1Å; S1113-E1116 PolarHBondContact O-N 3.02Å; S1113-E1116 VanDerWaalsContact O-N 3.13Å; S1113-E1116 VanDerWaalsContact OG-CG 3.3Å; S1113-E1116 WeakPolarHBondContact OG-CG 3.36Å; S1113-E1116 PolarHBondContact OG-N 3.31Å; S1113-E1116 PolarHBondContact OG-OE1 3.27Å; E1116-A1119 WeakPolarHBondContact O-CB 3.48Å; E1116-A1119 PolarHBondContact O-N 2.89Å; E1116-K1120 WeakPolarHBondContact O-CG 3.21Å; E1116-K1120 PolarHBondContact O-N 3.4Å; E1116-K1120 VanDerWaalsContact O-N 3.1Å
1117L79.6Confident77.8Confident0 Ų063.6 Ų63.60%032%0.32CS..Hα-helixtrans-69.6-38.4178-69.4-167.1000112E1063 S1113 E1115 A1119 K1120 S1121 I1122 R1124E1063-L1117 HydrophobicContact CG-CD1 4.27Å; E1063-L1117 WeakPolarHBondContact OE1-CD1 3.46Å; S1113-L1117 PolarHBondContact O-N 2.93Å; E1115-L1117 PolarHBondContact O-N 2.88Å; L1117-A1119 VanDerWaalsContact C-N 3.31Å; L1117-A1119 PolarHBondContact O-N 3.12Å; L1117-K1120 CarbonylContact O-C 3.59Å; L1117-K1120 WeakPolarHBondContact O-CA 3.14Å; L1117-K1120 PolarHBondContact O-N 2.9Å; L1117-S1121 PolarHBondContact O-N 2.75Å; L1117-I1122 HydrophobicContact CB-CB 4.18Å; L1117-I1122 HydrophobicContact CD1-CG2 4.21Å; L1117-I1122 HydrophobicContact CD2-CB 4.11Å; L1117-I1122 HydrophobicContact CD2-CD1 4.07Å; L1117-I1122 HydrophobicContact CD2-CG2 4.16Å; L1117-I1122 PolarHBondContact O-N 2.92Å; L1117-R1124 HydrophobicContact CD1-CG 3.59Å; L1117-R1124 VanDerWaalsContact CD1-NE 3.26Å
1118R76.7Confident78.8Confident158 Ų15864.2 Ų64.260%0.59632%0.319SS*.Hα-helixtrans-61.2-39.1170.4-78.2169177.2166.91.4111.9L1114 E1115 K1120 S1121L1114-R1118 WeakPolarHBondContact O-CB 3.11Å; L1114-R1118 WeakPolarHBondContact O-CD 3.4Å; L1114-R1118 WeakPolarHBondContact O-CG 3.4Å; L1114-R1118 PolarHBondContact O-N 3.18Å; E1115-R1118 PolarHBondContact O-N 3.36Å; R1118-K1120 PolarHBondContact O-N 3.31Å; R1118-S1121 PolarHBondContact O-N 3.05Å; R1118-S1121 VanDerWaalsContact O-N 3.15Å
1119A77.1Confident79.7Confident88 Ų8863.7 Ų63.773%0.72732%0.318SS*.Hα-helixtrans-64.8-24173.400000113.2E1115 E1116 L1117E1115-A1119 PolarHBondContact O-N 2.99Å; E1116-A1119 WeakPolarHBondContact O-CB 3.48Å; E1116-A1119 PolarHBondContact O-N 2.89Å; L1117-A1119 VanDerWaalsContact C-N 3.31Å; L1117-A1119 PolarHBondContact O-N 3.12Å
1120K79.3Confident80.9Confident120 Ų12056 Ų5652%0.52228%0.277SS..THydrogen-bonded Turntrans-95.5-0.7174.4-66.7166.5-176.2167.60113.9E1116 L1117 R1118 I1122E1116-K1120 WeakPolarHBondContact O-CG 3.21Å; E1116-K1120 PolarHBondContact O-N 3.4Å; E1116-K1120 VanDerWaalsContact O-N 3.1Å; L1117-K1120 CarbonylContact O-C 3.59Å; L1117-K1120 WeakPolarHBondContact O-CA 3.14Å; L1117-K1120 PolarHBondContact O-N 2.9Å; R1118-K1120 PolarHBondContact O-N 3.31Å; K1120-I1122 VanDerWaalsContact C-N 3.34Å; K1120-I1122 HydrophobicContact CB-CD1 3.79Å; K1120-I1122 HydrophobicContact CB-CG1 3.99Å; K1120-I1122 HydrophobicContact CD-CD1 4.3Å
1121S85.2Confident82.3Confident33 Ų3347 Ų4723%0.23124%0.241CC..THydrogen-bonded Turntrans55.941.2-171.8-47.80000114.1H1066 L1117 R1118 I1316H1066-S1121 VanDerWaalsContact CD2-C 3.43Å; H1066-S1121 PolarHBondContact CD2-O 3.36Å; H1066-S1121 VanDerWaalsContact CD2-O 3.24Å; H1066-S1121 PolarHBondContact N-O 2.85Å; H1066-S1121 WeakPolarHBondContact O-CB 3.43Å; L1117-S1121 PolarHBondContact O-N 2.75Å; R1118-S1121 PolarHBondContact O-N 3.05Å; R1118-S1121 VanDerWaalsContact O-N 3.15Å; S1121-I1316 WeakPolarHBondContact OG-CD1 3.34Å
1122I86.7Confident83.2Confident5 Ų547.9 Ų47.93%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-107.4131.1177.8-61.6170.9000109.5D1004 E1063 L1117 K1120D1004-I1122 HydrophobicContact CB-CD1 3.92Å; D1004-I1122 HydrophobicContact CB-CG1 4.26Å; E1063-I1122 HydrophobicContact CB-CG2 3.8Å; E1063-I1122 HydrophobicContact CG-CG2 4.15Å; L1117-I1122 HydrophobicContact CB-CB 4.18Å; L1117-I1122 HydrophobicContact CD1-CG2 4.21Å; L1117-I1122 HydrophobicContact CD2-CB 4.11Å; L1117-I1122 HydrophobicContact CD2-CD1 4.07Å; L1117-I1122 HydrophobicContact CD2-CG2 4.16Å; L1117-I1122 PolarHBondContact O-N 2.92Å; K1120-I1122 VanDerWaalsContact C-N 3.34Å; K1120-I1122 HydrophobicContact CB-CD1 3.79Å; K1120-I1122 HydrophobicContact CB-CG1 3.99Å; K1120-I1122 HydrophobicContact CD-CD1 4.3Å
1123H88.4Confident84.1Confident45 Ų4548.6 Ų48.621%0.20824%0.239CC..EExtended strand (participates in β ladder)trans-101148.5173.5-156.678.2000110.8E1063 I1064 L1136E1063-H1123 WeakPolarHBondContact CA-O 3.29Å; I1064-H1123 PolarHBondContact N-O 3.14Å; I1064-H1123 PolarHBondContact O-N 3.28Å; H1123-L1136 HydrophobicContact CB-CD2 4.02Å
1124R89.9Confident84.8Confident9 Ų946.7 Ų46.73%0.03423%0.225CC..EExtended strand (participates in β ladder)trans-106.2138.1175.8-71.7-167.7157.8136.64.2111.3L1061 L1062 E1063 A1095 D1097 G1112 L1117L1061-R1124 HydrophobicContact CD1-CB 3.8Å; L1061-R1124 HydrophobicContact CD1-CG 3.81Å; L1062-R1124 CarbonylContact O-C 3.56Å; L1062-R1124 WeakPolarHBondContact O-CA 3.41Å; E1063-R1124 HydrophobicContact CG-CG 3.96Å; E1063-R1124 IonicContact OE1-CZ 2.65Å; E1063-R1124 VanDerWaalsContact OE1-CZ 3.3Å; E1063-R1124 IonicContact OE1-NE 3.8Å; E1063-R1124 PolarHBondContact OE1-NE 3.37Å; E1063-R1124 IonicContact OE1-NH2 3.8Å; E1063-R1124 PolarHBondContact OE1-NH2 3.45Å; A1095-R1124 HydrophobicContact CB-CB 3.5Å; A1095-R1124 VanDerWaalsContact CB-CB 3.5Å; D1097-R1124 IonicContact OD1-NH1 2.64Å; D1097-R1124 PolarHBondContact OD1-NH1 3.37Å; G1112-R1124 PolarHBondContact O-NH1 2.82Å; G1112-R1124 PolarHBondContact O-NH2 3.3Å; L1117-R1124 HydrophobicContact CD1-CG 3.59Å; L1117-R1124 VanDerWaalsContact CD1-NE 3.26Å
1125I90Very high85.5Confident0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-123.1118.5168.1-49.3-173000107.9L1062 I1064 I1079 F1134 L1136L1062-I1125 HydrophobicContact CB-CB 4.29Å; L1062-I1125 PolarHBondContact N-O 2.9Å; L1062-I1125 PolarHBondContact O-N 3.45Å; I1064-I1125 HydrophobicContact CD1-CD1 3.48Å; I1064-I1125 VanDerWaalsContact CD1-CD1 3.48Å; I1064-I1125 HydrophobicContact CD1-CG1 3.98Å; I1079-I1125 HydrophobicContact CD1-CB 4.35Å; I1079-I1125 HydrophobicContact CD1-CD1 4.14Å; I1079-I1125 HydrophobicContact CD1-CG1 3.71Å; I1079-I1125 HydrophobicContact CD1-CG2 4.25Å; I1079-I1125 HydrophobicContact CG1-CD1 4.02Å; I1079-I1125 HydrophobicContact CG1-CG1 4.11Å; I1079-I1125 HydrophobicContact CG2-CD1 3.93Å; I1125-F1134 HydrophobicContact CD1-CD1 4.31Å; I1125-F1134 HydrophobicContact CD1-CG 4.42Å; I1125-F1134 HydrophobicContact CG2-CE1 4.11Å; I1125-F1134 HydrophobicContact CG2-CZ 4.15Å; I1125-L1136 HydrophobicContact CD1-CD1 4.1Å
1126L90.2Very high86.3Confident7 Ų737.4 Ų37.44%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-89.7130.7166.4-12879.9000107.9P1059 I1060 L1061 H1091 L1093 A1095 A1099 V1100P1059-L1126 HydrophobicContact CB-CD2 4.2Å; P1059-L1126 HydrophobicContact CB-CG 4.18Å; P1059-L1126 HydrophobicContact CG-CD2 3.98Å; P1059-L1126 HydrophobicContact CG-CG 4.41Å; I1060-L1126 WeakPolarHBondContact O-CA 3.34Å; L1061-L1126 HydrophobicContact CB-CD1 4.32Å; L1061-L1126 HydrophobicContact CD1-CD1 4.17Å; H1091-L1126 PolarHBondContact NE2-O 2.93Å; L1093-L1126 HydrophobicContact CB-CB 4.39Å; L1093-L1126 WeakPolarHBondContact CB-O 3.44Å; A1095-L1126 HydrophobicContact CB-CB 4.16Å; A1095-L1126 HydrophobicContact CB-CD1 4.18Å; A1099-L1126 HydrophobicContact CB-CD2 4.28Å; V1100-L1126 HydrophobicContact CG2-CD1 3.88Å
1127T90.4Very high86.9Confident0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-146.8143.4175.4-163.10000113.2P1059 I1060 L1062 D1129 F1134P1059-T1127 CarbonylContact C-O 3.47Å; P1059-T1127 VanDerWaalsContact CA-O 3.26Å; P1059-T1127 WeakPolarHBondContact CA-O 3.49Å; I1060-T1127 HydrophobicContact CD1-CG2 4.26Å; I1060-T1127 HydrophobicContact CG1-CG2 3.82Å; I1060-T1127 PolarHBondContact N-O 3.11Å; I1060-T1127 PolarHBondContact O-N 2.92Å; L1062-T1127 HydrophobicContact CD1-CG2 3.79Å; T1127-D1129 WeakPolarHBondContact CG2-O 3.36Å; T1127-D1129 PolarHBondContact OG1-N 2.83Å; T1127-D1129 PolarHBondContact OG1-O 3.4Å; T1127-D1129 PolarHBondContact OG1-OD1 2.96Å; T1127-F1134 HydrophobicContact CG2-CZ 4.43Å
1128Y89.8Confident87.5Confident115 Ų11533.9 Ų33.945%0.45116%0.164SC..EExtended strand (participates in β ladder)trans-85.6-13.2169.6-67.7-77.5000112.6R1055 F1056 P1059 L1093R1055-Y1128 CarbonylContact C-O 3.53Å; R1055-Y1128 WeakPolarHBondContact CA-O 3.2Å; F1056-Y1128 WeakPolarHBondContact CD2-O 3.38Å; F1056-Y1128 PolarHBondContact N-O 2.79Å; P1059-Y1128 HydrophobicContact CB-CD1 3.94Å; P1059-Y1128 HydrophobicContact CB-CE1 3.84Å; P1059-Y1128 HydrophobicContact CB-CE2 4.44Å; P1059-Y1128 HydrophobicContact CB-CG 4.29Å; P1059-Y1128 VanDerWaalsContact CD-CE1 3.48Å; P1059-Y1128 HydrophobicContact CG-CD1 4.38Å; P1059-Y1128 HydrophobicContact CG-CE1 3.78Å; L1093-Y1128 HydrophobicContact CD1-CD2 3.65Å; L1093-Y1128 HydrophobicContact CD1-CE2 3.94Å; L1093-Y1128 HydrophobicContact CD2-CD2 4.49Å; L1093-Y1128 HydrophobicContact CD2-CE2 3.92Å
1129D88.3Confident88.1Confident32 Ų3228.2 Ų28.217%0.17114%0.143CC..EExtended strand (participates in β ladder)trans-148.9153.9-174.763.2-31.4000113.1I1054 R1055 R1081 T1127 P1131I1054-D1129 WeakPolarHBondContact O-CA 3.22Å; I1054-D1129 WeakPolarHBondContact O-CB 3.29Å; R1055-D1129 HydrophobicContact CG-CB 4.19Å; R1081-D1129 IonicContact CZ-OD1 2.72Å; R1081-D1129 IonicContact CZ-OD2 3.17Å; R1081-D1129 IonicContact NH1-OD1 2.69Å; R1081-D1129 PolarHBondContact NH1-OD1 3.25Å; R1081-D1129 IonicContact NH1-OD2 3.19Å; R1081-D1129 PolarHBondContact NH1-OD2 3.41Å; R1081-D1129 IonicContact NH2-OD1 2.68Å; R1081-D1129 IonicContact NH2-OD2 2.83Å; R1081-D1129 PolarHBondContact NH2-OD2 3.24Å; T1127-D1129 WeakPolarHBondContact CG2-O 3.36Å; T1127-D1129 PolarHBondContact OG1-N 2.83Å; T1127-D1129 PolarHBondContact OG1-O 3.4Å; T1127-D1129 PolarHBondContact OG1-OD1 2.96Å; D1129-P1131 WeakPolarHBondContact O-CD 3.17Å
1130L86Confident88.6Confident2 Ų224.6 Ų24.61%0.0111%0.111CC..  trans-93.2112.4175.2-63-177.8000110.1I1020 I1049 P1052 G1053 I1054 F1056 I1060I1020-L1130 HydrophobicContact CD1-CD1 4.44Å; I1020-L1130 HydrophobicContact CG1-CD1 4.46Å; I1020-L1130 HydrophobicContact CG2-CD1 4.24Å; I1049-L1130 HydrophobicContact CG2-CD1 4Å; I1049-L1130 HydrophobicContact CG2-CD2 4.12Å; I1049-L1130 HydrophobicContact CG2-CG 4.43Å; P1052-L1130 CarbonylContact C-O 3.57Å; P1052-L1130 WeakPolarHBondContact CA-O 3.21Å; G1053-L1130 PolarHBondContact N-O 2.71Å; I1054-L1130 PolarHBondContact O-N 3.38Å; F1056-L1130 HydrophobicContact CE2-CD1 4.44Å; F1056-L1130 HydrophobicContact CE2-CD2 4.02Å; F1056-L1130 HydrophobicContact CE2-CG 3.8Å; F1056-L1130 HydrophobicContact CZ-CD1 4.07Å; F1056-L1130 HydrophobicContact CZ-CD2 4.38Å; F1056-L1130 HydrophobicContact CZ-CG 3.94Å; I1060-L1130 HydrophobicContact CD1-CD2 3.98Å
1131P87.9Confident89.1Confident1 Ų121.2 Ų21.21%0.00610%0.097CC..  trans-74.2160.2163.233.7-34.8000110.3R1081 S1082 D1129 Y1133 F1134R1081-P1131 HydrophobicContact CB-CB 3.93Å; R1081-P1131 HydrophobicContact CB-CG 3.81Å; S1082-P1131 WeakPolarHBondContact O-CB 3.36Å; D1129-P1131 WeakPolarHBondContact O-CD 3.17Å; P1131-Y1133 VanDerWaalsContact C-N 3.27Å; P1131-Y1133 PolarHBondContact O-N 2.85Å; P1131-F1134 VanDerWaalsContact CD-CE2 3.45Å; P1131-F1134 VanDerWaalsContact CD-CZ 3.4Å; P1131-F1134 HydrophobicContact CG-CD1 3.96Å; P1131-F1134 HydrophobicContact CG-CD2 3.84Å; P1131-F1134 HydrophobicContact CG-CE1 3.65Å; P1131-F1134 HydrophobicContact CG-CE2 3.52Å; P1131-F1134 HydrophobicContact CG-CG 4.06Å; P1131-F1134 HydrophobicContact CG-CZ 3.42Å; P1131-F1134 VanDerWaalsContact CG-CZ 3.42Å
1132Q84.5Confident89.2Confident59 Ų5921.2 Ų21.228%0.2769%0.093SC..SBendtrans-61.6-37175.5-168.7-174.5100112E1048 I1049 P1052 S1082 N1084E1048-Q1132 WeakPolarHBondContact CA-O 3.28Å; I1049-Q1132 PolarHBondContact N-O 3.38Å; P1052-Q1132 HydrophobicContact CB-CB 4.06Å; S1082-Q1132 PolarHBondContact O-N 2.65Å; S1082-Q1132 VanDerWaalsContact O-N 3.15Å; N1084-Q1132 VanDerWaalsContact CA-OE1 3.28Å
1133Y89.4Confident89.3Confident26 Ų2622.6 Ų22.610%0.10210%0.099CC..EExtended strand (participates in β ladder)trans-134.3141.4176.9-57-79.3000113.5M1030 L1047 E1048 R1081 S1082 W1088 P1131M1030-Y1133 HydrophobicContact SD-CD1 4.02Å; M1030-Y1133 HydrophobicContact SD-CE1 4.07Å; M1030-Y1133 HydrophobicContact SD-CG 4.41Å; L1047-Y1133 CarbonylContact O-C 3.5Å; L1047-Y1133 VanDerWaalsContact O-CA 3.26Å; L1047-Y1133 WeakPolarHBondContact O-CA 3.37Å; E1048-Y1133 HydrophobicContact CB-CD1 3.86Å; E1048-Y1133 HydrophobicContact CB-CE1 3.59Å; E1048-Y1133 HydrophobicContact CG-CD1 4.17Å; E1048-Y1133 HydrophobicContact CG-CE1 3.55Å; E1048-Y1133 WeakPolarHBondContact OE1-CE1 3.4Å; E1048-Y1133 PolarHBondContact OE1-OH 3.45Å; R1081-Y1133 CarbonylContact C-O 3.57Å; R1081-Y1133 WeakPolarHBondContact CA-O 3.45Å; S1082-Y1133 PolarHBondContact N-O 3.04Å; S1082-Y1133 PolarHBondContact O-N 3.44Å; W1088-Y1133 HydrophobicContact CH2-CG 4.29Å; P1131-Y1133 VanDerWaalsContact C-N 3.27Å; P1131-Y1133 PolarHBondContact O-N 2.85Å
1134F91.7Very high89.2Confident0 Ų024 Ų240%011%0.108CC..EExtended strand (participates in β ladder)trans-113.2141.2159-74-74.5000110.8L1047 I1049 L1062 I1079 L1080 R1081 I1125 T1127 P1131L1047-F1134 HydrophobicContact CB-CB 4.18Å; L1047-F1134 HydrophobicContact CD1-CB 4.31Å; L1047-F1134 PolarHBondContact N-O 2.85Å; L1047-F1134 PolarHBondContact O-N 3.18Å; I1049-F1134 HydrophobicContact CD1-CD2 3.79Å; I1049-F1134 HydrophobicContact CD1-CE2 4.15Å; L1062-F1134 HydrophobicContact CD2-CE2 4.42Å; I1079-F1134 HydrophobicContact CG2-CD1 3.61Å; I1079-F1134 HydrophobicContact CG2-CE1 4.03Å; L1080-F1134 WeakPolarHBondContact O-CA 3.44Å; R1081-F1134 HydrophobicContact CB-CD1 4.04Å; R1081-F1134 HydrophobicContact CB-CE1 4.08Å; I1125-F1134 HydrophobicContact CD1-CD1 4.31Å; I1125-F1134 HydrophobicContact CD1-CG 4.42Å; I1125-F1134 HydrophobicContact CG2-CE1 4.11Å; I1125-F1134 HydrophobicContact CG2-CZ 4.15Å; T1127-F1134 HydrophobicContact CG2-CZ 4.43Å; P1131-F1134 VanDerWaalsContact CD-CE2 3.45Å; P1131-F1134 VanDerWaalsContact CD-CZ 3.4Å; P1131-F1134 HydrophobicContact CG-CD1 3.96Å; P1131-F1134 HydrophobicContact CG-CD2 3.84Å; P1131-F1134 HydrophobicContact CG-CE1 3.65Å; P1131-F1134 HydrophobicContact CG-CE2 3.52Å; P1131-F1134 HydrophobicContact CG-CG 4.06Å; P1131-F1134 HydrophobicContact CG-CZ 3.42Å; P1131-F1134 VanDerWaalsContact CG-CZ 3.42Å
1135A90.8Very high89.1Confident0 Ų027.2 Ų27.20%013%0.125CC..EExtended strand (participates in β ladder)trans-125.4116.8170.100000109.4P1034 L1042 L1046 L1080 W1088P1034-A1135 HydrophobicContact CB-CB 4.49Å; P1034-A1135 HydrophobicContact CG-CB 4.06Å; L1042-A1135 HydrophobicContact CD2-CB 4.46Å; L1046-A1135 HydrophobicContact CD2-CB 3.47Å; L1046-A1135 VanDerWaalsContact CD2-CB 3.47Å; L1080-A1135 HydrophobicContact CB-CB 4.38Å; L1080-A1135 PolarHBondContact N-O 3.44Å; L1080-A1135 PolarHBondContact O-N 2.88Å; W1088-A1135 HydrophobicContact CE3-CB 4.25Å; W1088-A1135 HydrophobicContact CH2-CB 4.24Å; W1088-A1135 HydrophobicContact CZ3-CB 3.6Å
1136L92.6Very high89Confident1 Ų132 Ų321%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-85.3125168.4-70.767.5000107.4L1042 A1043 L1047 I1064 I1077 V1078 H1123 I1125L1042-L1136 CarbonylContact C-O 3.48Å; A1043-L1136 HydrophobicContact CB-CB 4.01Å; A1043-L1136 PolarHBondContact N-O 2.74Å; L1047-L1136 HydrophobicContact CD1-CD1 3.73Å; I1064-L1136 HydrophobicContact CB-CD2 4.44Å; I1064-L1136 HydrophobicContact CD1-CD1 4.45Å; I1064-L1136 HydrophobicContact CG2-CD1 4.36Å; I1064-L1136 HydrophobicContact CG2-CD2 3.83Å; I1077-L1136 HydrophobicContact CG2-CB 4.27Å; I1077-L1136 HydrophobicContact CG2-CD2 4.47Å; V1078-L1136 CarbonylContact O-C 3.57Å; V1078-L1136 WeakPolarHBondContact O-CA 3.39Å; H1123-L1136 HydrophobicContact CB-CD2 4.02Å; I1125-L1136 HydrophobicContact CD1-CD1 4.1Å
1137I91.5Very high88.9Confident10 Ų1031.9 Ų31.95%0.05115%0.15CC..EExtended strand (participates in β ladder)trans-118.7129.8-179.6-62.6-177.6000108.4P1034 M1036 D1040 G1041 L1042 I1077 V1078 L1080P1034-I1137 HydrophobicContact CB-CD1 4.4Å; M1036-I1137 HydrophobicContact CG-CD1 4.35Å; D1040-I1137 HydrophobicContact CB-CG2 4.1Å; G1041-I1137 CarbonylContact O-C 3.52Å; G1041-I1137 WeakPolarHBondContact O-CA 3.46Å; G1041-I1137 WeakPolarHBondContact O-CG2 3.34Å; L1042-I1137 HydrophobicContact CD2-CG1 4.34Å; I1077-I1137 CarbonylContact C-O 3.26Å; I1077-I1137 WeakPolarHBondContact CA-O 3.15Å; V1078-I1137 PolarHBondContact N-O 3.48Å; V1078-I1137 PolarHBondContact O-N 2.84Å; L1080-I1137 HydrophobicContact CD1-CD1 3.5Å; L1080-I1137 HydrophobicContact CG-CD1 3.85Å
1138T91.4Very high88.7Confident0 Ų031.9 Ų31.90%015%0.15CC..EExtended strand (participates in β ladder)trans-86.6126.7163.5176.90000110.1D1040 G1041 A1068 R1075 E1076 V1313D1040-T1138 WeakPolarHBondContact CA-O 3.14Å; G1041-T1138 PolarHBondContact N-O 3.43Å; G1041-T1138 WeakPolarHBondContact O-CG2 3.28Å; G1041-T1138 PolarHBondContact O-N 3.28Å; A1068-T1138 HydrophobicContact CB-CG2 3.65Å; R1075-T1138 PolarHBondContact NE-OG1 2.82Å; R1075-T1138 PolarHBondContact NH2-O 3.37Å; R1075-T1138 PolarHBondContact NH2-OG1 2.87Å; E1076-T1138 VanDerWaalsContact O-CA 3.25Å; E1076-T1138 WeakPolarHBondContact O-CA 3.29Å; E1076-T1138 PolarHBondContact O-OG1 3.2Å; T1138-V1313 HydrophobicContact CG2-CG1 3.64Å
1139R88.8Confident88.5Confident40 Ų4029.3 Ų29.315%0.15115%0.147CC..EExtended strand (participates in β ladder)trans-126.6167.2173.668.7176.5-178.3-137.4-10.9112.1D1040 R1075 E1076 V1078 E1090D1040-R1139 WeakPolarHBondContact OD1-CB 2.58Å; R1075-R1139 CarbonylContact C-O 3.56Å; R1075-R1139 VanDerWaalsContact CA-O 3.24Å; R1075-R1139 WeakPolarHBondContact CA-O 3.31Å; R1075-R1139 WeakPolarHBondContact CB-O 3.39Å; E1076-R1139 HydrophobicContact CG-CG 3.68Å; E1076-R1139 PolarHBondContact N-O 3.33Å; E1076-R1139 PolarHBondContact O-N 3.24Å; E1076-R1139 IonicContact OE1-CZ 2.78Å; E1076-R1139 IonicContact OE1-NE 2.69Å; E1076-R1139 PolarHBondContact OE1-NE 3.2Å; E1076-R1139 IonicContact OE1-NH2 3.87Å; E1076-R1139 PolarHBondContact OE1-NH2 3.16Å; V1078-R1139 HydrophobicContact CG2-CG 3.7Å; V1078-R1139 VanDerWaalsContact CG2-NE 3.35Å; E1090-R1139 IonicContact OE1-CZ 3.83Å; E1090-R1139 IonicContact OE1-NH1 2.77Å; E1090-R1139 PolarHBondContact OE1-NH1 3.42Å; E1090-R1139 IonicContact OE1-NH2 3.21Å; E1090-R1139 PolarHBondContact OE1-NH2 2.93Å; E1090-R1139 VanDerWaalsContact OE1-NH2 3.12Å
1140I88.5Confident88.6Confident11 Ų1132 Ų326%0.05616%0.158CC..EExtended strand (participates in β ladder)trans-63.1135.8168-63.4166000108.6Q1142 Q1180 H1182 L1311I1140-Q1142 PolarHBondContact O-N 2.88Å; I1140-Q1180 HydrophobicContact CG2-CB 4.27Å; I1140-H1182 HydrophobicContact CD1-CB 4.26Å; I1140-H1182 HydrophobicContact CG2-CB 4.34Å; I1140-L1311 HydrophobicContact CD1-CD2 3.92Å
1141K88.5Confident88.6Confident49 Ų4932.6 Ų32.621%0.21317%0.165CC..  trans-58.1133.5-172.2-161.4-161.5178.5-146.30111.9K1073 N1074 E1076 E1143 T1157 V1158 Q1180K1073-K1141 WeakPolarHBondContact O-CD 3.25Å; N1074-K1141 PolarHBondContact O-N 3.11Å; E1076-K1141 HydrophobicContact CB-CG 4.41Å; E1076-K1141 VanDerWaalsContact OE2-CA 3.29Å; E1076-K1141 WeakPolarHBondContact OE2-CA 3.47Å; E1076-K1141 WeakPolarHBondContact OE2-CG 3.4Å; K1141-E1143 VanDerWaalsContact NZ-CD 3.32Å; K1141-E1143 IonicContact NZ-OE1 2.77Å; K1141-E1143 PolarHBondContact NZ-OE1 3.37Å; K1141-E1143 IonicContact NZ-OE2 3.2Å; K1141-E1143 PolarHBondContact NZ-OE2 3.41Å; K1141-T1157 PolarHBondContact NZ-OG1 3.23Å; K1141-V1158 HydrophobicContact CB-CG2 4.37Å; K1141-V1158 HydrophobicContact CD-CG2 4.38Å; K1141-Q1180 WeakPolarHBondContact O-CA 3.24Å
1142Q88.1Confident88.6Confident33 Ų3333.9 Ų33.915%0.15418%0.179CC..EExtended strand (participates in β ladder)trans-123107.9-175.7-171.6173.4-62.800112.7E1076 I1140 L1144 Q1180E1076-Q1142 PolarHBondContact OE2-N 3.41Å; I1140-Q1142 PolarHBondContact O-N 2.88Å; Q1142-L1144 HydrophobicContact CG-CG 4.29Å; Q1142-L1144 PolarHBondContact O-N 3.42Å; Q1142-Q1180 HydrophobicContact CB-CG 3.94Å; Q1142-Q1180 HydrophobicContact CG-CG 3.86Å
1143E88.5Confident88.8Confident34 Ų3434.4 Ų34.416%0.15919%0.186CC..EExtended strand (participates in β ladder)trans-73.6114.3173.3-52.9-61169.300110.1K1141 L1154 T1157 G1178 L1179K1141-E1143 VanDerWaalsContact NZ-CD 3.32Å; K1141-E1143 IonicContact NZ-OE1 2.77Å; K1141-E1143 PolarHBondContact NZ-OE1 3.37Å; K1141-E1143 IonicContact NZ-OE2 3.2Å; K1141-E1143 PolarHBondContact NZ-OE2 3.41Å; E1143-L1154 HydrophobicContact CB-CD2 3.66Å; E1143-T1157 VanDerWaalsContact OE1-CB 3.3Å; E1143-T1157 WeakPolarHBondContact OE1-CB 3.33Å; E1143-T1157 VanDerWaalsContact OE1-CG2 3.28Å; E1143-T1157 WeakPolarHBondContact OE1-CG2 3.3Å; E1143-T1157 PolarHBondContact OE1-N 2.99Å; E1143-T1157 PolarHBondContact OE1-OG1 3.28Å; E1143-G1178 CarbonylContact O-C 3.49Å; E1143-G1178 WeakPolarHBondContact O-CA 3.16Å; E1143-L1179 HydrophobicContact CB-CB 4.43Å; E1143-L1179 PolarHBondContact N-O 2.94Å; E1143-L1179 PolarHBondContact O-N 2.95Å
1144L87.1Confident88.9Confident74 Ų7433.3 Ų33.339%0.38718%0.182SC..EExtended strand (participates in β ladder)trans-106.5119.9-176.9-83.9167.8000112.1Q1142 R1176 V1177Q1142-L1144 HydrophobicContact CG-CG 4.29Å; Q1142-L1144 PolarHBondContact O-N 3.42Å; L1144-R1176 HydrophobicContact CD2-CB 4.28Å; L1144-V1177 WeakPolarHBondContact CA-O 3.36Å
1145I87.7Confident88.7Confident77 Ų7736.5 Ų36.540%0.39520%0.202SC..EExtended strand (participates in β ladder)trans-130.2143.6175.8-67.1-171.1000111.3I1147 L1154 V1177I1145-I1147 HydrophobicContact CB-CG1 4.37Å; I1145-I1147 HydrophobicContact CG2-CD1 4.49Å; I1145-I1147 HydrophobicContact CG2-CG1 3.8Å; I1145-I1147 PolarHBondContact O-N 3.31Å; I1145-L1154 HydrophobicContact CB-CD1 4.39Å; I1145-L1154 HydrophobicContact CB-CG 4.26Å; I1145-L1154 HydrophobicContact CD1-CD2 4.38Å; I1145-L1154 HydrophobicContact CD1-CG 4.12Å; I1145-L1154 HydrophobicContact CG1-CG 4.25Å; I1145-V1177 PolarHBondContact N-O 2.79Å; I1145-V1177 PolarHBondContact O-N 2.89Å
1146L88.1Confident88.7Confident102 Ų10236.8 Ų36.853%0.53420%0.203SC..EExtended strand (participates in β ladder)trans-77.4109.8167.1-11678.8000110.2R1174 I1175 R1176L1146-R1174 HydrophobicContact CD2-CB 4.29Å; L1146-I1175 WeakPolarHBondContact CA-O 3.23Å; L1146-R1176 HydrophobicContact CD1-CG 3.55Å
1147I87.5Confident88.4Confident4 Ų440.1 Ų40.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-114.1131.9177.7-50.2-176.3000109.7I1145 L1154 F1166 L1171 R1174 I1175 V1177I1145-I1147 HydrophobicContact CB-CG1 4.37Å; I1145-I1147 HydrophobicContact CG2-CD1 4.49Å; I1145-I1147 HydrophobicContact CG2-CG1 3.8Å; I1145-I1147 PolarHBondContact O-N 3.31Å; I1147-L1154 HydrophobicContact CD1-CB 4.37Å; I1147-L1154 HydrophobicContact CD1-CD1 4.26Å; I1147-F1166 HydrophobicContact CD1-CD2 3.46Å; I1147-F1166 VanDerWaalsContact CD1-CD2 3.46Å; I1147-F1166 HydrophobicContact CD1-CE2 3.54Å; I1147-F1166 HydrophobicContact CD1-CG 4.09Å; I1147-F1166 HydrophobicContact CD1-CZ 4.23Å; I1147-F1166 HydrophobicContact CG2-CB 4.06Å; I1147-F1166 HydrophobicContact CG2-CD2 4.47Å; I1147-F1166 HydrophobicContact CG2-CG 4.15Å; I1147-L1171 HydrophobicContact CB-CD1 3.83Å; I1147-L1171 HydrophobicContact CG2-CD1 3.82Å; I1147-L1171 WeakPolarHBondContact O-CD1 3.45Å; I1147-R1174 WeakPolarHBondContact O-CA 3.44Å; I1147-I1175 PolarHBondContact N-O 2.7Å; I1147-I1175 PolarHBondContact O-N 2.91Å; I1147-V1177 HydrophobicContact CB-CG2 4.14Å; I1147-V1177 HydrophobicContact CD1-CB 4.18Å; I1147-V1177 HydrophobicContact CD1-CG2 4.24Å; I1147-V1177 HydrophobicContact CG1-CB 4.42Å; I1147-V1177 HydrophobicContact CG1-CG2 4.22Å
1148G85.4Confident88.1Confident0 Ų040.9 Ų40.90%023%0.229CC..BIsolated β-bridgetrans-120.7-167.4-176.900000114.7E1150 G1151G1148-E1150 VanDerWaalsContact CA-OE2 3.25Å; G1148-E1150 WeakPolarHBondContact CA-OE2 3.46Å; G1148-E1150 PolarHBondContact O-N 2.98Å; G1148-G1151 PolarHBondContact O-N 2.94Å
1149P86.9Confident87.9Confident60 Ų6041.9 Ų41.939%0.3924%0.235SC..THydrogen-bonded Turntrans-61.4-19.2177.426.6-36000114.8G1151 Q1168 G1169 L1171P1149-G1151 PolarHBondContact O-N 3.02Å; P1149-Q1168 CarbonylContact O-C 3.58Å; P1149-Q1168 WeakPolarHBondContact O-CG 3.41Å; P1149-G1169 PolarHBondContact O-N 3.16Å; P1149-L1171 WeakPolarHBondContact CA-O 3.43Å; P1149-L1171 WeakPolarHBondContact CB-O 3.5Å
1150E89.5Confident87.9Confident89 Ų8944.3 Ų44.342%0.41626%0.256SS..THydrogen-bonded Turntrans-59.2-24.2167.459.2-90.9-141.900113.6G1148 R1174G1148-E1150 VanDerWaalsContact CA-OE2 3.25Å; G1148-E1150 WeakPolarHBondContact CA-OE2 3.46Å; G1148-E1150 PolarHBondContact O-N 2.98Å; E1150-R1174 IonicContact OE1-CZ 3.9Å; E1150-R1174 IonicContact OE1-NE 3.8Å; E1150-R1174 PolarHBondContact OE1-NE 3.39Å; E1150-R1174 IonicContact OE1-NH2 3.69Å; E1150-R1174 PolarHBondContact OE1-NH2 3.28Å
1151G85.8Confident87.8Confident14 Ų1448.5 Ų48.514%0.14428%0.278CS..BIsolated β-bridgetrans83.9-167-170.100000112.5G1148 P1149 F1166G1148-G1151 PolarHBondContact O-N 2.94Å; P1149-G1151 PolarHBondContact O-N 3.02Å; G1151-F1166 CarbonylContact C-O 3.51Å; G1151-F1166 WeakPolarHBondContact CA-O 3.44Å
1152G88.9Confident88Confident29 Ų2946.1 Ų46.130%0.29927%0.268SS..EExtended strand (participates in β ladder)trans170.3175.8-178.600000113.6F1166G1152-F1166 PolarHBondContact N-O 3.28Å; G1152-F1166 PolarHBondContact O-N 2.89Å
1153T89Confident88.1Confident69 Ų6947.4 Ų47.442%0.42327%0.274SS..EExtended strand (participates in β ladder)trans-127.5136.7169.3-490000108V1164T1153-V1164 WeakPolarHBondContact CA-O 3.33Å
1154L90.1Very high88.4Confident3 Ų346 Ų462%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-123.4119.2177.9-146-179.9000107.2E1143 I1145 I1147 H1163 V1164 F1166 V1177 L1179E1143-L1154 HydrophobicContact CB-CD2 3.66Å; I1145-L1154 HydrophobicContact CB-CD1 4.39Å; I1145-L1154 HydrophobicContact CB-CG 4.26Å; I1145-L1154 HydrophobicContact CD1-CD2 4.38Å; I1145-L1154 HydrophobicContact CD1-CG 4.12Å; I1145-L1154 HydrophobicContact CG1-CG 4.25Å; I1147-L1154 HydrophobicContact CD1-CB 4.37Å; I1147-L1154 HydrophobicContact CD1-CD1 4.26Å; L1154-H1163 CarbonylContact O-C 3.5Å; L1154-H1163 WeakPolarHBondContact O-CA 3.48Å; L1154-V1164 PolarHBondContact N-O 2.84Å; L1154-V1164 PolarHBondContact O-N 3.03Å; L1154-F1166 HydrophobicContact CB-CE2 4.39Å; L1154-V1177 HydrophobicContact CD1-CB 4.27Å; L1154-V1177 HydrophobicContact CD1-CG1 4.08Å; L1154-L1179 HydrophobicContact CD1-CB 4.06Å; L1154-L1179 HydrophobicContact CD2-CB 3.67Å; L1154-L1179 HydrophobicContact CD2-CD2 4.01Å; L1154-L1179 HydrophobicContact CG-CB 4.39Å
1155T89.2Confident88.6Confident68 Ų6849.7 Ų49.742%0.41728%0.276SS..EExtended strand (participates in β ladder)trans-119.8139.4-172.6-55.60000109.5H1163T1155-H1163 HydrophobicContact CG2-CB 4.26Å
1156S89.8Confident88.9Confident5 Ų546.3 Ų46.34%0.03526%0.259CS..  trans-76.2137.9178.8-179.50000112.3V1158 V1159 V1162 V1181S1156-V1158 VanDerWaalsContact C-N 3.31Å; S1156-V1158 WeakPolarHBondContact OG-CB 3.33Å; S1156-V1158 PolarHBondContact OG-N 3.37Å; S1156-V1159 PolarHBondContact OG-N 3.46Å; S1156-V1162 PolarHBondContact N-O 2.87Å; S1156-V1181 WeakPolarHBondContact OG-CG2 3.28Å
1157T87Confident89.1Confident71 Ų7143.9 Ų43.944%0.43625%0.249SC..SBendtrans-84.3-6.5167.369.10000113.4K1141 E1143K1141-T1157 PolarHBondContact NZ-OG1 3.23Å; E1143-T1157 VanDerWaalsContact OE1-CB 3.3Å; E1143-T1157 WeakPolarHBondContact OE1-CB 3.33Å; E1143-T1157 VanDerWaalsContact OE1-CG2 3.28Å; E1143-T1157 WeakPolarHBondContact OE1-CG2 3.3Å; E1143-T1157 PolarHBondContact OE1-N 2.99Å; E1143-T1157 PolarHBondContact OE1-OG1 3.28Å
1158V84.7Confident89.2Confident26 Ų2650.6 Ų50.616%0.15828%0.28CS..SBendtrans-88.1-47.7179.2-167.20000110.7K1073 N1074 K1141 S1156 P1183K1073-V1158 WeakPolarHBondContact O-CG2 3.16Å; N1074-V1158 HydrophobicContact CB-CG1 4.44Å; N1074-V1158 WeakPolarHBondContact OD1-CG1 3.4Å; K1141-V1158 HydrophobicContact CB-CG2 4.37Å; K1141-V1158 HydrophobicContact CD-CG2 4.38Å; S1156-V1158 VanDerWaalsContact C-N 3.31Å; S1156-V1158 WeakPolarHBondContact OG-CB 3.33Å; S1156-V1158 PolarHBondContact OG-N 3.37Å; V1158-P1183 HydrophobicContact CG1-CG 4.15Å
1159V87.9Confident89.3Confident21 Ų2151.8 Ų51.813%0.12729%0.293CS..SBendtrans-132.296.7176.1-174.60000108.3S1156 D1161 V1162 V1181 P1183 P1201 P1221S1156-V1159 PolarHBondContact OG-N 3.46Å; V1159-D1161 HydrophobicContact CG1-CB 4.45Å; V1159-D1161 PolarHBondContact O-N 3.47Å; V1159-D1161 VanDerWaalsContact O-N 3.09Å; V1159-V1162 HydrophobicContact CB-CG2 4.07Å; V1159-V1162 HydrophobicContact CG1-CG2 3.97Å; V1159-V1162 WeakPolarHBondContact O-CB 3.16Å; V1159-V1162 PolarHBondContact O-N 3.03Å; V1159-V1181 HydrophobicContact CB-CG1 4.09Å; V1159-V1181 HydrophobicContact CG2-CG1 3.85Å; V1159-P1183 HydrophobicContact CG2-CB 4.41Å; V1159-P1201 HydrophobicContact CG1-CG 4.34Å; V1159-P1201 HydrophobicContact CG2-CB 4.46Å; V1159-P1201 HydrophobicContact CG2-CG 4.18Å; V1159-P1221 HydrophobicContact CG1-CG 4.39Å
1160P87.8Confident89.4Confident92 Ų9249 Ų4960%0.59728%0.275SS*.THydrogen-bonded Turntrans-58.2-25.5-172.1-28.936.8000115.5V1162P1160-V1162 PolarHBondContact O-N 3.36Å
1161D87.6Confident89.3Confident98 Ų9844.9 Ų44.952%0.52426%0.255SS..THydrogen-bonded Turntrans-64.7-27.5175.6-53.8-50.5000112.3V1159 H1163 P1221V1159-D1161 HydrophobicContact CG1-CB 4.45Å; V1159-D1161 PolarHBondContact O-N 3.47Å; V1159-D1161 VanDerWaalsContact O-N 3.09Å; D1161-H1163 PolarHBondContact O-N 3.48Å; D1161-H1163 PolarHBondContact O-ND1 2.91Å; D1161-P1221 HydrophobicContact CB-CB 4.38Å; D1161-P1221 HydrophobicContact CB-CG 4.4Å
1162V91.2Very high89.3Confident0 Ų050.9 Ų50.90%028%0.28CS..  trans-81.5113.3-179.6-1790000110.6S1156 V1159 P1160 V1181 V1203 T1219S1156-V1162 PolarHBondContact N-O 2.87Å; V1159-V1162 HydrophobicContact CB-CG2 4.07Å; V1159-V1162 HydrophobicContact CG1-CG2 3.97Å; V1159-V1162 WeakPolarHBondContact O-CB 3.16Å; V1159-V1162 PolarHBondContact O-N 3.03Å; P1160-V1162 PolarHBondContact O-N 3.36Å; V1162-V1181 HydrophobicContact CB-CG2 4.15Å; V1162-V1181 HydrophobicContact CG1-CG2 3.68Å; V1162-V1181 HydrophobicContact CG2-CG1 4.22Å; V1162-V1203 HydrophobicContact CG1-CB 4.44Å; V1162-V1203 HydrophobicContact CG1-CG1 3.85Å; V1162-V1203 HydrophobicContact CG1-CG2 3.65Å; V1162-V1203 HydrophobicContact CG2-CG2 4.26Å; V1162-T1219 WeakPolarHBondContact CA-O 2.93Å
1163H91.2Very high89.2Confident60 Ų6057.1 Ų57.128%0.27830%0.299SS..EExtended strand (participates in β ladder)trans-143148.1176.758.9-85.5000112.2L1154 T1155 D1161 T1219L1154-H1163 CarbonylContact O-C 3.5Å; L1154-H1163 WeakPolarHBondContact O-CA 3.48Å; T1155-H1163 HydrophobicContact CG2-CB 4.26Å; D1161-H1163 PolarHBondContact O-N 3.48Å; D1161-H1163 PolarHBondContact O-ND1 2.91Å; H1163-T1219 PolarHBondContact CD2-OG1 2.92Å; H1163-T1219 WeakPolarHBondContact CE1-CB 3.26Å; H1163-T1219 PolarHBondContact CE1-OG1 3.03Å; H1163-T1219 VanDerWaalsContact CE1-OG1 3.25Å; H1163-T1219 PolarHBondContact NE2-OG1 2.82Å; H1163-T1219 PolarHBondContact O-N 3.15Å
1164V93.4Very high88.9Confident3 Ų361.9 Ų61.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-119.7128.9179.3-1740000109.4T1153 L1154 F1166 L1179 I1205 I1216 T1217 L1218T1153-V1164 WeakPolarHBondContact CA-O 3.33Å; L1154-V1164 PolarHBondContact N-O 2.84Å; L1154-V1164 PolarHBondContact O-N 3.03Å; V1164-F1166 HydrophobicContact CB-CE2 4.06Å; V1164-F1166 HydrophobicContact CG1-CD2 4.26Å; V1164-F1166 HydrophobicContact CG1-CE2 3.52Å; V1164-F1166 HydrophobicContact CG1-CZ 3.72Å; V1164-L1179 HydrophobicContact CG2-CD1 3.81Å; V1164-L1179 HydrophobicContact CG2-CD2 4.44Å; V1164-I1205 HydrophobicContact CG1-CD1 4.33Å; V1164-I1205 HydrophobicContact CG2-CG1 4.49Å; V1164-I1216 HydrophobicContact CG1-CB 4.49Å; V1164-I1216 HydrophobicContact CG1-CD1 3.86Å; V1164-T1217 CarbonylContact C-O 3.54Å; V1164-T1217 WeakPolarHBondContact CA-O 3.49Å; V1164-L1218 HydrophobicContact CG1-CG 4.44Å; V1164-L1218 HydrophobicContact CG2-CD2 3.98Å; V1164-L1218 HydrophobicContact CG2-CG 4.21Å
1165R93.1Very high88.7Confident153 Ų15363.3 Ų63.358%0.57732%0.316SS*.EExtended strand (participates in β ladder)trans-114.5120.2-176.7-151.2175.3-164.3156.24.5111P1167 I1216 T1217R1165-P1167 WeakPolarHBondContact O-CD 3.41Å; R1165-I1216 WeakPolarHBondContact O-CA 3.07Å; R1165-T1217 PolarHBondContact N-O 2.88Å; R1165-T1217 PolarHBondContact O-N 3.06Å
1166F93.3Very high88.6Confident6 Ų667.3 Ų67.33%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-98.8105.7178.6-64.1-96.2000108.7I1147 G1151 G1152 L1154 V1164 L1171 V1177 F1212 I1216I1147-F1166 HydrophobicContact CD1-CD2 3.46Å; I1147-F1166 VanDerWaalsContact CD1-CD2 3.46Å; I1147-F1166 HydrophobicContact CD1-CE2 3.54Å; I1147-F1166 HydrophobicContact CD1-CG 4.09Å; I1147-F1166 HydrophobicContact CD1-CZ 4.23Å; I1147-F1166 HydrophobicContact CG2-CB 4.06Å; I1147-F1166 HydrophobicContact CG2-CD2 4.47Å; I1147-F1166 HydrophobicContact CG2-CG 4.15Å; G1151-F1166 CarbonylContact C-O 3.51Å; G1151-F1166 WeakPolarHBondContact CA-O 3.44Å; G1152-F1166 PolarHBondContact N-O 3.28Å; G1152-F1166 PolarHBondContact O-N 2.89Å; L1154-F1166 HydrophobicContact CB-CE2 4.39Å; V1164-F1166 HydrophobicContact CB-CE2 4.06Å; V1164-F1166 HydrophobicContact CG1-CD2 4.26Å; V1164-F1166 HydrophobicContact CG1-CE2 3.52Å; V1164-F1166 HydrophobicContact CG1-CZ 3.72Å; F1166-L1171 HydrophobicContact CD1-CD1 4.3Å; F1166-V1177 HydrophobicContact CE1-CG1 4.37Å; F1166-V1177 HydrophobicContact CE2-CG1 4.4Å; F1166-V1177 HydrophobicContact CZ-CG1 3.75Å; F1166-F1212 HydrophobicContact CD1-CE1 4.41Å; F1166-F1212 HydrophobicContact CE1-CD1 4.4Å; F1166-F1212 AromaticContact CE1-CE1 3.75Å; F1166-F1212 HydrophobicContact CE1-CE1 3.75Å; F1166-F1212 AromaticContact CE1-CZ 3.95Å; F1166-F1212 HydrophobicContact CE1-CZ 3.95Å; F1166-I1216 HydrophobicContact CD1-CG2 3.51Å; F1166-I1216 HydrophobicContact CE1-CG2 3.74Å; F1166-I1216 HydrophobicContact CG-CG2 4.2Å
1167P91.4Very high88.5Confident50 Ų5067.2 Ų67.233%0.32532%0.323SS..  trans-67.4153.7176.527.4-33.6000111.2R1165 G1169 A1170 K1214 P1215R1165-P1167 WeakPolarHBondContact O-CD 3.41Å; P1167-G1169 PolarHBondContact O-N 3.2Å; P1167-A1170 HydrophobicContact CG-CB 4.2Å; P1167-A1170 VanDerWaalsContact O-CB 3.24Å; P1167-A1170 WeakPolarHBondContact O-CB 3.3Å; P1167-A1170 PolarHBondContact O-N 3.32Å; P1167-K1214 HydrophobicContact CG-CB 4.06Å; P1167-P1215 WeakPolarHBondContact CD-O 3.33Å; P1167-P1215 VanDerWaalsContact CG-O 3.25Å; P1167-P1215 WeakPolarHBondContact CG-O 3.3Å
1168Q90.4Very high88.5Confident145 Ų14563.9 Ų63.968%0.67830%0.303SS*.THydrogen-bonded Turntrans-51.4122.7179.4-169.6-172.319.700111P1149 K1214P1149-Q1168 CarbonylContact O-C 3.58Å; P1149-Q1168 WeakPolarHBondContact O-CG 3.41Å; Q1168-K1214 WeakPolarHBondContact O-CD 3.28Å; Q1168-K1214 WeakPolarHBondContact O-CE 3.34Å; Q1168-K1214 PolarHBondContact O-NZ 3.45Å
1169G87.1Confident88.9Confident26 Ų2662.7 Ų62.727%0.26830%0.296SS..THydrogen-bonded Turntrans81.614.6-175.500000116P1149 P1167 L1171 H1213P1149-G1169 PolarHBondContact O-N 3.16Å; P1167-G1169 PolarHBondContact O-N 3.2Å; G1169-L1171 VanDerWaalsContact C-N 3.26Å; G1169-H1213 WeakPolarHBondContact O-CB 3.3Å
1170A88.6Confident89Confident1 Ų162.6 Ų62.61%0.00829%0.294CS..SBendtrans-67.4-28.8167.600000112.6P1167 H1213 K1214 I1216P1167-A1170 HydrophobicContact CG-CB 4.2Å; P1167-A1170 VanDerWaalsContact O-CB 3.24Å; P1167-A1170 WeakPolarHBondContact O-CB 3.3Å; P1167-A1170 PolarHBondContact O-N 3.32Å; A1170-H1213 PolarHBondContact O-N 2.89Å; A1170-K1214 HydrophobicContact CB-CB 4.28Å; A1170-I1216 HydrophobicContact CB-CG2 4.46Å
1171L87.6Confident89.1Confident2 Ų258.2 Ų58.21%0.0127%0.265CS..  trans-120.2143.9175.3-64.8170000109.2I1147 P1149 F1166 G1169 I1175 V1177 F1212I1147-L1171 HydrophobicContact CB-CD1 3.83Å; I1147-L1171 HydrophobicContact CG2-CD1 3.82Å; I1147-L1171 WeakPolarHBondContact O-CD1 3.45Å; P1149-L1171 WeakPolarHBondContact CA-O 3.43Å; P1149-L1171 WeakPolarHBondContact CB-O 3.5Å; F1166-L1171 HydrophobicContact CD1-CD1 4.3Å; G1169-L1171 VanDerWaalsContact C-N 3.26Å; L1171-I1175 HydrophobicContact CD1-CD1 4.32Å; L1171-I1175 HydrophobicContact CD1-CG1 3.99Å; L1171-I1175 HydrophobicContact CD2-CD1 3.94Å; L1171-I1175 HydrophobicContact CD2-CG1 4.24Å; L1171-V1177 HydrophobicContact CD1-CG2 4.16Å; L1171-F1212 HydrophobicContact CD2-CD1 3.87Å; L1171-F1212 HydrophobicContact CD2-CE1 4.05Å
1172Q86.3Confident89.3Confident140 Ų14055.3 Ų55.365%0.65425%0.249SC*.SBendtrans-93.2-23.3176.1-77.3-180-9.200114H1213Q1172-H1213 WeakPolarHBondContact CG-NE2 3.27Å; Q1172-H1213 PolarHBondContact NE2-CE1 2.93Å; Q1172-H1213 VanDerWaalsContact NE2-CE1 3.34Å
1173K86Confident89.1Confident160 Ų16057.4 Ų57.470%0.69626%0.262SS*.SBendtrans-129.5149.3-179.5-63.6-175179.6-176.90108.7I1175K1173-I1175 PolarHBondContact O-N 3.49Å
1174R84.2Confident89Confident169 Ų16955.7 Ų55.764%0.63826%0.256SS*.  trans-61.2123.3166.2-81.5-179.3169.9-171.2-6.4109.3L1146 I1147 E1150L1146-R1174 HydrophobicContact CD2-CB 4.29Å; I1147-R1174 WeakPolarHBondContact O-CA 3.44Å; E1150-R1174 IonicContact OE1-CZ 3.9Å; E1150-R1174 IonicContact OE1-NE 3.8Å; E1150-R1174 PolarHBondContact OE1-NE 3.39Å; E1150-R1174 IonicContact OE1-NH2 3.69Å; E1150-R1174 PolarHBondContact OE1-NH2 3.28Å
1175I85.1Confident88.5Confident33 Ų3359.5 Ų59.517%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-133.2152.917555.4151.2000110L1146 I1147 L1171 K1173 V1177L1146-I1175 WeakPolarHBondContact CA-O 3.23Å; I1147-I1175 PolarHBondContact N-O 2.7Å; I1147-I1175 PolarHBondContact O-N 2.91Å; L1171-I1175 HydrophobicContact CD1-CD1 4.32Å; L1171-I1175 HydrophobicContact CD1-CG1 3.99Å; L1171-I1175 HydrophobicContact CD2-CD1 3.94Å; L1171-I1175 HydrophobicContact CD2-CG1 4.24Å; K1173-I1175 PolarHBondContact O-N 3.49Å; I1175-V1177 HydrophobicContact CD1-CG2 3.73Å; I1175-V1177 HydrophobicContact CG1-CG2 3.88Å; I1175-V1177 PolarHBondContact O-N 3.38Å
1176R86.1Confident87.9Confident152 Ų15255.7 Ų55.757%0.57426%0.264SS*.EExtended strand (participates in β ladder)trans-64.3125.8161.2-75.7-178.6176.8-177.5-2.3108.1L1144 L1146L1144-R1176 HydrophobicContact CD2-CB 4.28Å; L1146-R1176 HydrophobicContact CD1-CG 3.55Å
1177V87.9Confident87.1Confident3 Ų361 Ų612%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-118.1132.3171.2-176.90000107.3L1144 I1145 I1147 L1154 F1166 L1171 I1175 I1205L1144-V1177 WeakPolarHBondContact CA-O 3.36Å; I1145-V1177 PolarHBondContact N-O 2.79Å; I1145-V1177 PolarHBondContact O-N 2.89Å; I1147-V1177 HydrophobicContact CB-CG2 4.14Å; I1147-V1177 HydrophobicContact CD1-CB 4.18Å; I1147-V1177 HydrophobicContact CD1-CG2 4.24Å; I1147-V1177 HydrophobicContact CG1-CB 4.42Å; I1147-V1177 HydrophobicContact CG1-CG2 4.22Å; L1154-V1177 HydrophobicContact CD1-CB 4.27Å; L1154-V1177 HydrophobicContact CD1-CG1 4.08Å; F1166-V1177 HydrophobicContact CE1-CG1 4.37Å; F1166-V1177 HydrophobicContact CE2-CG1 4.4Å; F1166-V1177 HydrophobicContact CZ-CG1 3.75Å; L1171-V1177 HydrophobicContact CD1-CG2 4.16Å; I1175-V1177 HydrophobicContact CD1-CG2 3.73Å; I1175-V1177 HydrophobicContact CG1-CG2 3.88Å; I1175-V1177 PolarHBondContact O-N 3.38Å; V1177-I1205 HydrophobicContact CG1-CG2 4.21Å
1178G88.1Confident86.6Confident1 Ų159.4 Ų59.41%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-103.5141.6176.500000112E1143 I1205 E1206E1143-G1178 CarbonylContact O-C 3.49Å; E1143-G1178 WeakPolarHBondContact O-CA 3.16Å; G1178-I1205 WeakPolarHBondContact O-CA 3.17Å; G1178-E1206 PolarHBondContact N-O 2.89Å; G1178-E1206 PolarHBondContact O-N 2.81Å
1179L92.4Very high86.3Confident2 Ų252.6 Ų52.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-120.4114.5164.8178.765000109E1143 L1154 V1164 V1181 V1203E1143-L1179 HydrophobicContact CB-CB 4.43Å; E1143-L1179 PolarHBondContact N-O 2.94Å; E1143-L1179 PolarHBondContact O-N 2.95Å; L1154-L1179 HydrophobicContact CD1-CB 4.06Å; L1154-L1179 HydrophobicContact CD2-CB 3.67Å; L1154-L1179 HydrophobicContact CD2-CD2 4.01Å; L1154-L1179 HydrophobicContact CG-CB 4.39Å; V1164-L1179 HydrophobicContact CG2-CD1 3.81Å; V1164-L1179 HydrophobicContact CG2-CD2 4.44Å; L1179-V1181 HydrophobicContact CD1-CG2 4.27Å; L1179-V1181 HydrophobicContact CD2-CG2 4.47Å; L1179-V1181 HydrophobicContact CG-CG2 4.11Å; L1179-V1203 HydrophobicContact CD1-CG1 3.61Å
1180Q90.2Very high86Confident18 Ų1853.6 Ų53.68%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-101.7137.8168.7-56.2168-12.300108.6I1140 K1141 Q1142 T1204I1140-Q1180 HydrophobicContact CG2-CB 4.27Å; K1141-Q1180 WeakPolarHBondContact O-CA 3.24Å; Q1142-Q1180 HydrophobicContact CB-CG 3.94Å; Q1142-Q1180 HydrophobicContact CG-CG 3.86Å; Q1180-T1204 PolarHBondContact N-O 2.86Å; Q1180-T1204 PolarHBondContact O-N 3.04Å; Q1180-T1204 PolarHBondContact OE1-OG1 2.88Å
1181V91Very high85.3Confident1 Ų158 Ų581%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-131.4117173-178.20000109.9S1156 V1159 V1162 L1179 P1183 P1201 I1202 V1203S1156-V1181 WeakPolarHBondContact OG-CG2 3.28Å; V1159-V1181 HydrophobicContact CB-CG1 4.09Å; V1159-V1181 HydrophobicContact CG2-CG1 3.85Å; V1162-V1181 HydrophobicContact CB-CG2 4.15Å; V1162-V1181 HydrophobicContact CG1-CG2 3.68Å; V1162-V1181 HydrophobicContact CG2-CG1 4.22Å; L1179-V1181 HydrophobicContact CD1-CG2 4.27Å; L1179-V1181 HydrophobicContact CD2-CG2 4.47Å; L1179-V1181 HydrophobicContact CG-CG2 4.11Å; V1181-P1183 WeakPolarHBondContact O-CD 3.42Å; V1181-P1201 HydrophobicContact CG1-CB 3.94Å; V1181-I1202 WeakPolarHBondContact CA-O 3.19Å; V1181-V1203 HydrophobicContact CG2-CG1 4.5Å
1182H90.1Very high84.9Confident37 Ų3759.7 Ų59.717%0.17127%0.272CS..EExtended strand (participates in β ladder)trans-104.9106.8-179.9-178.664.1000110I1140 V1184 P1201 I1202 S1310I1140-H1182 HydrophobicContact CD1-CB 4.26Å; I1140-H1182 HydrophobicContact CG2-CB 4.34Å; H1182-V1184 PolarHBondContact O-N 3.13Å; H1182-P1201 WeakPolarHBondContact O-CA 3.5Å; H1182-I1202 HydrophobicContact CB-CB 4.3Å; H1182-I1202 PolarHBondContact N-O 2.92Å; H1182-I1202 PolarHBondContact O-N 2.98Å; H1182-S1310 PolarHBondContact CE1-O 2.88Å; H1182-S1310 WeakPolarHBondContact NE2-CA 3.33Å; H1182-S1310 WeakPolarHBondContact NE2-CB 3.32Å; H1182-S1310 PolarHBondContact NE2-O 2.92Å; H1182-S1310 PolarHBondContact NE2-OG 2.82Å
1183P88.4Confident84.7Confident44 Ų4454.9 Ų54.929%0.28625%0.251SS..PPolyproline II helixtrans-75.8118.5177.130.3-32.3000110.4N1074 V1158 V1159 V1181N1074-P1183 WeakPolarHBondContact ND2-CG 3.39Å; V1158-P1183 HydrophobicContact CG1-CG 4.15Å; V1159-P1183 HydrophobicContact CG2-CB 4.41Å; V1181-P1183 WeakPolarHBondContact O-CD 3.42Å
1184V88Confident84.2Confident23 Ų2348.4 Ų48.414%0.13923%0.23CC..PPolyproline II helixtrans-84.5132175.1-1760000109.4H1182 L1188 V1189 V1199 I1202 W1289 V1306H1182-V1184 PolarHBondContact O-N 3.13Å; V1184-L1188 HydrophobicContact CG1-CD2 4.48Å; V1184-V1189 HydrophobicContact CG1-CG2 3.89Å; V1184-V1199 HydrophobicContact CB-CG2 3.83Å; V1184-V1199 HydrophobicContact CG1-CG2 3.86Å; V1184-V1199 HydrophobicContact CG2-CG2 4.33Å; V1184-I1202 HydrophobicContact CG2-CD1 3.94Å; V1184-I1202 HydrophobicContact CG2-CG1 3.88Å; V1184-W1289 HydrophobicContact CG2-CE3 4.48Å; V1184-W1289 HydrophobicContact CG2-CZ3 4.13Å; V1184-V1306 HydrophobicContact CG1-CG1 3.93Å
1185D83.5Confident83.8Confident84 Ų8445.1 Ų45.145%0.44923%0.23SC..PPolyproline II helixtrans-69.8137.9177.817235.9000112.4E1187 L1188 V1189D1185-E1187 PolarHBondContact OD1-N 2.84Å; D1185-E1187 WeakPolarHBondContact OD2-CB 3.47Å; D1185-E1187 PolarHBondContact OD2-N 3.15Å; D1185-L1188 HydrophobicContact CB-CB 4.03Å; D1185-L1188 PolarHBondContact OD2-N 3.48Å; D1185-V1189 PolarHBondContact O-N 2.92Å
1186H80.1Confident83.2Confident72 Ų7253.2 Ų53.233%0.33326%0.258SS..Hα-helixtrans-73.7-31.8177-172.5-78.1000112.1V1189 T1190H1186-V1189 PolarHBondContact O-N 3.06Å; H1186-T1190 PolarHBondContact CE1-OG1 2.86Å; H1186-T1190 PolarHBondContact ND1-OG1 3.44Å; H1186-T1190 WeakPolarHBondContact O-CB 3.39Å; H1186-T1190 PolarHBondContact O-N 2.77Å; H1186-T1190 PolarHBondContact O-OG1 3.03Å
1187E76.2Confident83Confident117 Ų11746.5 Ų46.555%0.54723%0.234SC..Hα-helixtrans-68.2-43.3176.6-164.7-179.7143.500110.4D1185 V1189 T1190 R1191D1185-E1187 PolarHBondContact OD1-N 2.84Å; D1185-E1187 WeakPolarHBondContact OD2-CB 3.47Å; D1185-E1187 PolarHBondContact OD2-N 3.15Å; E1187-V1189 PolarHBondContact O-N 2.76Å; E1187-T1190 PolarHBondContact O-N 2.96Å; E1187-R1191 VanDerWaalsContact O-CB 3.26Å; E1187-R1191 WeakPolarHBondContact O-CB 3.35Å; E1187-R1191 PolarHBondContact O-N 3.07Å
1188L82.1Confident82.8Confident17 Ų1746.4 Ų46.49%0.08923%0.233CC..Hα-helixtrans-50.5-53.8168.7172.961.2000113V1184 D1185 T1190 R1191 M1192 E1309V1184-L1188 HydrophobicContact CG1-CD2 4.48Å; D1185-L1188 HydrophobicContact CB-CB 4.03Å; D1185-L1188 PolarHBondContact OD2-N 3.48Å; L1188-T1190 PolarHBondContact O-N 3.03Å; L1188-R1191 WeakPolarHBondContact O-CB 3.4Å; L1188-R1191 PolarHBondContact O-N 2.79Å; L1188-M1192 HydrophobicContact CD1-CG 3.93Å; L1188-M1192 HydrophobicContact CD1-SD 3.73Å; L1188-M1192 HydrophobicContact CG-SD 4.39Å; L1188-M1192 WeakPolarHBondContact O-CG 3.36Å; L1188-M1192 PolarHBondContact O-N 3.13Å; L1188-E1309 HydrophobicContact CD1-CB 4.34Å; L1188-E1309 HydrophobicContact CD1-CG 3.94Å
1189V83.7Confident82.9Confident2 Ų247.5 Ų47.51%0.01224%0.24CC..Hα-helixtrans-63.7-42-179.8176.80000111.5V1184 D1185 H1186 E1187 R1191 M1192 L1193 V1197 V1199 V1306V1184-V1189 HydrophobicContact CG1-CG2 3.89Å; D1185-V1189 PolarHBondContact O-N 2.92Å; H1186-V1189 PolarHBondContact O-N 3.06Å; E1187-V1189 PolarHBondContact O-N 2.76Å; V1189-R1191 VanDerWaalsContact C-N 3.27Å; V1189-R1191 PolarHBondContact O-N 2.99Å; V1189-M1192 PolarHBondContact O-N 3.25Å; V1189-L1193 PolarHBondContact O-N 2.78Å; V1189-V1197 HydrophobicContact CG1-CB 4.49Å; V1189-V1197 HydrophobicContact CG1-CG1 4.44Å; V1189-V1199 HydrophobicContact CG2-CG1 4.38Å; V1189-V1199 HydrophobicContact CG2-CG2 3.91Å; V1189-V1306 HydrophobicContact CG2-CG1 3.86Å; V1189-V1306 HydrophobicContact CG2-CG2 4.49Å
1190T80Confident82.9Confident47 Ų4747.5 Ų47.529%0.28824%0.24SC..Hα-helixtrans-61.8-36.4176.9-550000111.5H1186 E1187 L1188 G1194 P1195H1186-T1190 PolarHBondContact CE1-OG1 2.86Å; H1186-T1190 PolarHBondContact ND1-OG1 3.44Å; H1186-T1190 WeakPolarHBondContact O-CB 3.39Å; H1186-T1190 PolarHBondContact O-N 2.77Å; H1186-T1190 PolarHBondContact O-OG1 3.03Å; E1187-T1190 PolarHBondContact O-N 2.96Å; L1188-T1190 PolarHBondContact O-N 3.03Å; T1190-G1194 WeakPolarHBondContact O-CA 3.39Å; T1190-G1194 PolarHBondContact O-N 2.84Å; T1190-P1195 HydrophobicContact CG2-CB 4.2Å
1191R75.2Confident82.9Confident93 Ų9347.6 Ų47.635%0.35124%0.243SC..Hα-helixtrans-72.1-42.1178.2-165.7-164.8-47.6123.84.7112.8E1187 L1188 V1189 H1422E1187-R1191 VanDerWaalsContact O-CB 3.26Å; E1187-R1191 WeakPolarHBondContact O-CB 3.35Å; E1187-R1191 PolarHBondContact O-N 3.07Å; L1188-R1191 WeakPolarHBondContact O-CB 3.4Å; L1188-R1191 PolarHBondContact O-N 2.79Å; V1189-R1191 VanDerWaalsContact C-N 3.27Å; V1189-R1191 PolarHBondContact O-N 2.99Å; R1191-H1422 PolarHBondContact NE-CE1 2.79Å; R1191-H1422 PolarHBondContact NE-NE2 2.82Å
1192M78.5Confident83Confident39 Ų3947.7 Ų47.719%0.19224%0.243CC..Hα-helixtrans-81.6-36.3-176.8-67.7-171.7100.700114.2L1188 V1189 V1306 E1309L1188-M1192 HydrophobicContact CD1-CG 3.93Å; L1188-M1192 HydrophobicContact CD1-SD 3.73Å; L1188-M1192 HydrophobicContact CG-SD 4.39Å; L1188-M1192 WeakPolarHBondContact O-CG 3.36Å; L1188-M1192 PolarHBondContact O-N 3.13Å; V1189-M1192 PolarHBondContact O-N 3.25Å; M1192-V1306 HydrophobicContact SD-CG2 4.19Å; M1192-E1309 HydrophobicContact CE-CB 3.78Å; M1192-E1309 HydrophobicContact CE-CG 4.12Å; M1192-E1309 HydrophobicContact SD-CB 3.87Å; M1192-E1309 HydrophobicContact SD-CG 4.24Å
1193L82.4Confident83.1Confident39 Ų3945.9 Ų45.920%0.20424%0.235CC..Hα-helixtrans-126-4.1-168.7-59-176.3000114.1V1189 V1197 L1302 V1306V1189-L1193 PolarHBondContact O-N 2.78Å; L1193-V1197 HydrophobicContact CB-CB 4.06Å; L1193-V1197 HydrophobicContact CB-CG2 4.09Å; L1193-V1197 HydrophobicContact CD1-CB 4.23Å; L1193-V1197 HydrophobicContact CD1-CG1 3.84Å; L1193-V1197 HydrophobicContact CD1-CG2 4.46Å; L1193-L1302 HydrophobicContact CD1-CB 4.01Å; L1193-L1302 HydrophobicContact CD2-CB 4.05Å; L1193-L1302 HydrophobicContact CD2-CD2 3.85Å; L1193-L1302 HydrophobicContact CD2-CG 4.35Å; L1193-V1306 HydrophobicContact CD1-CG2 3.56Å; L1193-V1306 HydrophobicContact CG-CG2 4.02Å
1194G74.3Confident83.3Confident24 Ų2444.1 Ų44.125%0.24722%0.223CC..  trans79.1167.3-175.900000113.8T1190 R1196 V1197T1190-G1194 WeakPolarHBondContact O-CA 3.39Å; T1190-G1194 PolarHBondContact O-N 2.84Å; G1194-R1196 PolarHBondContact O-N 3.35Å; G1194-V1197 PolarHBondContact O-N 3.36Å
1195P75.6Confident83.5Confident99 Ų9943.2 Ų43.264%0.64322%0.217SC*.THydrogen-bonded Turntrans-71.15.6-173.230.3-37.8000114.9T1190T1190-P1195 HydrophobicContact CG2-CB 4.2Å
1196R74.4Confident83.6Confident203 Ų20340.6 Ų40.677%0.76620%0.202SC*.THydrogen-bonded Turntrans-97.80.7179.4-73.7-172.3-73.6175.7-4.1113.6G1194 P1294G1194-R1196 PolarHBondContact O-N 3.35Å; R1196-P1294 WeakPolarHBondContact O-CD 3.42Å
1197V80.3Confident83.7Confident11 Ų1140.2 Ų40.27%0.06721%0.206CC..  trans-121.8140172.8-175.80000108.7V1189 L1193 G1194 V1291 D1292 C1293V1189-V1197 HydrophobicContact CG1-CB 4.49Å; V1189-V1197 HydrophobicContact CG1-CG1 4.44Å; L1193-V1197 HydrophobicContact CB-CB 4.06Å; L1193-V1197 HydrophobicContact CB-CG2 4.09Å; L1193-V1197 HydrophobicContact CD1-CB 4.23Å; L1193-V1197 HydrophobicContact CD1-CG1 3.84Å; L1193-V1197 HydrophobicContact CD1-CG2 4.46Å; G1194-V1197 PolarHBondContact O-N 3.36Å; V1197-V1291 HydrophobicContact CG1-CG1 4.28Å; V1197-D1292 WeakPolarHBondContact CA-O 3.38Å; V1197-C1293 HydrophobicContact CG1-CB 4.39Å
1198S84.4Confident83.9Confident1 Ų135.6 Ų35.61%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-142.1160.5167.966.40000111.8P1223 T1225 D1292S1198-P1223 WeakPolarHBondContact OG-CB 3.46Å; S1198-T1225 VanDerWaalsContact CB-OG1 3.28Å; S1198-T1225 WeakPolarHBondContact CB-OG1 3.39Å; S1198-T1225 PolarHBondContact OG-N 2.95Å; S1198-T1225 PolarHBondContact OG-OG1 2.87Å; S1198-D1292 PolarHBondContact N-O 3.43Å; S1198-D1292 VanDerWaalsContact N-O 3.17Å; S1198-D1292 PolarHBondContact O-N 3.41Å
1199V90Very high83.8Confident24 Ų2442.8 Ų42.815%0.14521%0.21CC..EExtended strand (participates in β ladder)trans-132.7161.7-175.5-52.40000111.4V1184 V1189 W1289 L1290 V1291V1184-V1199 HydrophobicContact CB-CG2 3.83Å; V1184-V1199 HydrophobicContact CG1-CG2 3.86Å; V1184-V1199 HydrophobicContact CG2-CG2 4.33Å; V1189-V1199 HydrophobicContact CG2-CG1 4.38Å; V1189-V1199 HydrophobicContact CG2-CG2 3.91Å; V1199-W1289 HydrophobicContact CB-CE3 3.87Å; V1199-W1289 HydrophobicContact CB-CZ3 3.92Å; V1199-W1289 HydrophobicContact CG1-CE3 4.21Å; V1199-W1289 HydrophobicContact CG1-CZ3 3.88Å; V1199-W1289 HydrophobicContact CG2-CE3 4.25Å; V1199-W1289 HydrophobicContact CG2-CZ3 4.05Å; V1199-L1290 CarbonylContact C-O 3.57Å; V1199-L1290 VanDerWaalsContact CA-O 3.29Å; V1199-L1290 WeakPolarHBondContact CA-O 3.47Å; V1199-V1291 HydrophobicContact CG1-CG1 4.31Å; V1199-V1291 HydrophobicContact CG1-CG2 4.11Å
1200S91.9Very high83.8Confident3 Ų347.2 Ų47.22%0.02123%0.226CC..PPolyproline II helixtrans-88171.8164.8750000111.5I1220 P1221 L1290S1200-I1220 WeakPolarHBondContact OG-CG2 3.49Å; S1200-P1221 WeakPolarHBondContact CB-O 3.48Å; S1200-L1290 PolarHBondContact N-O 2.99Å; S1200-L1290 PolarHBondContact OG-N 2.88Å
1201P91Very high84.1Confident20 Ų2052.3 Ų52.313%0.1325%0.245CC..PPolyproline II helixtrans-54.8152.6159.8-22.134.4000111.5V1159 V1181 H1182 P1221V1159-P1201 HydrophobicContact CG1-CG 4.34Å; V1159-P1201 HydrophobicContact CG2-CB 4.46Å; V1159-P1201 HydrophobicContact CG2-CG 4.18Å; V1181-P1201 HydrophobicContact CG1-CB 3.94Å; H1182-P1201 WeakPolarHBondContact O-CA 3.5Å; P1201-P1221 HydrophobicContact CG-CG 4.16Å
1202I92.6Very high84.7Confident2 Ų248.6 Ų48.61%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-93131.3175.3-53.9-179.6000109.2V1181 H1182 V1184 W1262 R1287 W1289 Y1307V1181-I1202 WeakPolarHBondContact CA-O 3.19Å; H1182-I1202 HydrophobicContact CB-CB 4.3Å; H1182-I1202 PolarHBondContact N-O 2.92Å; H1182-I1202 PolarHBondContact O-N 2.98Å; V1184-I1202 HydrophobicContact CG2-CD1 3.94Å; V1184-I1202 HydrophobicContact CG2-CG1 3.88Å; I1202-W1262 HydrophobicContact CG2-CH2 4.09Å; I1202-R1287 HydrophobicContact CG2-CG 3.53Å; I1202-W1289 HydrophobicContact CD1-CD2 3.99Å; I1202-W1289 HydrophobicContact CD1-CE3 3.77Å; I1202-W1289 HydrophobicContact CD1-CH2 4.07Å; I1202-W1289 HydrophobicContact CD1-CZ2 4.27Å; I1202-W1289 HydrophobicContact CD1-CZ3 3.82Å; I1202-W1289 HydrophobicContact CG1-CB 4.08Å; I1202-W1289 HydrophobicContact CG1-CD2 3.74Å; I1202-W1289 HydrophobicContact CG1-CE3 3.52Å; I1202-W1289 HydrophobicContact CG1-CG 4.05Å; I1202-W1289 HydrophobicContact CG1-CZ3 4.06Å; I1202-Y1307 HydrophobicContact CD1-CD2 3.47Å; I1202-Y1307 VanDerWaalsContact CD1-CD2 3.47Å; I1202-Y1307 HydrophobicContact CD1-CE2 3.9Å
1203V93.2Very high85.2Confident0 Ų051.9 Ų51.90%025%0.245CC..EExtended strand (participates in β ladder)trans-119.6114.1-172.5-1750000109.4V1162 L1179 V1181 L1218 I1220 R1287 L1288V1162-V1203 HydrophobicContact CG1-CB 4.44Å; V1162-V1203 HydrophobicContact CG1-CG1 3.85Å; V1162-V1203 HydrophobicContact CG1-CG2 3.65Å; V1162-V1203 HydrophobicContact CG2-CG2 4.26Å; L1179-V1203 HydrophobicContact CD1-CG1 3.61Å; V1181-V1203 HydrophobicContact CG2-CG1 4.5Å; V1203-L1218 HydrophobicContact CG1-CD2 4.12Å; V1203-I1220 HydrophobicContact CB-CD1 4.2Å; V1203-I1220 HydrophobicContact CG2-CD1 3.76Å; V1203-I1220 HydrophobicContact CG2-CG1 4.05Å; V1203-R1287 CarbonylContact O-C 3.55Å; V1203-R1287 WeakPolarHBondContact O-CA 3.25Å; V1203-L1288 PolarHBondContact N-O 3.01Å; V1203-L1288 PolarHBondContact O-N 3.36Å
1204T91.4Very high85.5Confident7 Ų754.9 Ų54.94%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-106.3131.6175.5-42.40000110.4Q1180 E1206 R1208 R1287Q1180-T1204 PolarHBondContact N-O 2.86Å; Q1180-T1204 PolarHBondContact O-N 3.04Å; Q1180-T1204 PolarHBondContact OE1-OG1 2.88Å; T1204-E1206 HydrophobicContact CG2-CG 4.33Å; T1204-R1208 HydrophobicContact CG2-CG 3.94Å; T1204-R1287 HydrophobicContact CG2-CB 4.17Å; T1204-R1287 HydrophobicContact CG2-CG 4.5Å; T1204-R1287 WeakPolarHBondContact OG1-CG 3.24Å; T1204-R1287 PolarHBondContact OG1-NE 3.18Å; T1204-R1287 VanDerWaalsContact OG1-NE 3.13Å
1205I91.7Very high86.2Confident3 Ų356.9 Ų56.92%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-103.6122.2169.6-55.4165.8000108.9V1164 V1177 G1178 R1208 F1212 I1216 L1218 A1286V1164-I1205 HydrophobicContact CG1-CD1 4.33Å; V1164-I1205 HydrophobicContact CG2-CG1 4.49Å; V1177-I1205 HydrophobicContact CG1-CG2 4.21Å; G1178-I1205 WeakPolarHBondContact O-CA 3.17Å; I1205-R1208 WeakPolarHBondContact O-CG 3.08Å; I1205-F1212 HydrophobicContact CG2-CZ 4.4Å; I1205-I1216 HydrophobicContact CD1-CD1 3.41Å; I1205-I1216 VanDerWaalsContact CD1-CD1 3.41Å; I1205-L1218 HydrophobicContact CD1-CD1 4.08Å; I1205-L1218 HydrophobicContact CD1-CD2 4.02Å; I1205-L1218 HydrophobicContact CD1-CG 4.35Å; I1205-A1286 PolarHBondContact N-O 3.04Å
1206E85.8Confident87Confident29 Ų2952.1 Ų52.114%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-108.8148.8177.4-68.9-68.9-175.900112.3G1178 T1204 R1208G1178-E1206 PolarHBondContact N-O 2.89Å; G1178-E1206 PolarHBondContact O-N 2.81Å; T1204-E1206 HydrophobicContact CG2-CG 4.33Å; E1206-R1208 IonicContact OE1-CZ 3.61Å; E1206-R1208 IonicContact OE1-NE 3.06Å; E1206-R1208 PolarHBondContact OE1-NE 3.14Å; E1206-R1208 IonicContact OE1-NH2 2.61Å; E1206-R1208 PolarHBondContact OE1-NH2 3.44Å; E1206-R1208 WeakPolarHBondContact OE2-CG 3.24Å; E1206-R1208 PolarHBondContact OE2-N 2.99Å; E1206-R1208 IonicContact OE2-NE 3Å
1207P82.8Confident87.9Confident64 Ų6444.9 Ų44.942%0.41621%0.213SC..SBendcis-74128.6-630-34000111.9R1210 S1285P1207-R1210 WeakPolarHBondContact O-CB 3.44Å; P1207-S1285 PolarHBondContact O-OG 3.3Å
1208R80.3Confident88.5Confident20 Ų2044.3 Ų44.38%0.07521%0.21CC..THydrogen-bonded Turntrans-55.8159.3179.6-77.7175.8-74.3142.6-6.2112.6N1037 T1204 I1205 E1206 R1210 A1254 G1256N1037-R1208 PolarHBondContact OD1-NH2 3.41Å; T1204-R1208 HydrophobicContact CG2-CG 3.94Å; I1205-R1208 WeakPolarHBondContact O-CG 3.08Å; E1206-R1208 IonicContact OE1-CZ 3.61Å; E1206-R1208 IonicContact OE1-NE 3.06Å; E1206-R1208 PolarHBondContact OE1-NE 3.14Å; E1206-R1208 IonicContact OE1-NH2 2.61Å; E1206-R1208 PolarHBondContact OE1-NH2 3.44Å; E1206-R1208 WeakPolarHBondContact OE2-CG 3.24Å; E1206-R1208 PolarHBondContact OE2-N 2.99Å; E1206-R1208 IonicContact OE2-NE 3Å; R1208-R1210 PolarHBondContact O-N 2.88Å; R1208-A1254 VanDerWaalsContact CD-O 3.29Å; R1208-A1254 WeakPolarHBondContact CD-O 3.37Å; R1208-A1254 PolarHBondContact NH1-O 3.45Å; R1208-G1256 PolarHBondContact NH1-O 3.34Å; R1208-G1256 PolarHBondContact NH2-O 3.42Å
1209R80.5Confident88.9Confident168 Ų16844.6 Ų44.663%0.63421%0.211SC*.THydrogen-bonded Turntrans65.8-2.7-175.2-66.5-171.8161.8-151.7-6.9116.5K1211 I1253 S1285R1209-K1211 PolarHBondContact O-N 2.81Å; R1209-I1253 WeakPolarHBondContact CG-O 3.14Å; R1209-I1253 PolarHBondContact NE-O 3.46Å; R1209-S1285 PolarHBondContact N-O 3.24Å
1210R83.1Confident89Confident95 Ų9543.4 Ų43.436%0.35820%0.204SC..PPolyproline II helixtrans-72122.6175.6-157.7174.9-152.1-90.50.2111.3P1207 R1208 S1285P1207-R1210 WeakPolarHBondContact O-CB 3.44Å; R1208-R1210 PolarHBondContact O-N 2.88Å; R1210-S1285 VanDerWaalsContact CA-OG 3.31Å; R1210-S1285 WeakPolarHBondContact CA-OG 3.43Å; R1210-S1285 VanDerWaalsContact CB-OG 3.28Å; R1210-S1285 WeakPolarHBondContact CB-OG 3.37Å; R1210-S1285 PolarHBondContact N-OG 2.9Å; R1210-S1285 PolarHBondContact O-N 2.92Å; R1210-S1285 PolarHBondContact O-OG 2.95Å
1211K87.1Confident88.9Confident155 Ų15544.3 Ų44.367%0.67421%0.21SC*.EExtended strand (participates in β ladder)trans-81.7140.8174.3-171.5173.3-176.51730111.2R1209 T1283R1209-K1211 PolarHBondContact O-N 2.81Å; K1211-T1283 WeakPolarHBondContact CA-O 3.46Å
1212F88.2Confident88.6Confident14 Ų1444 Ų446%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-99.5150177.5-56.3-67.4000111.7F1166 L1171 I1205 K1214 I1216 T1283F1166-F1212 HydrophobicContact CD1-CE1 4.41Å; F1166-F1212 HydrophobicContact CE1-CD1 4.4Å; F1166-F1212 AromaticContact CE1-CE1 3.75Å; F1166-F1212 HydrophobicContact CE1-CE1 3.75Å; F1166-F1212 AromaticContact CE1-CZ 3.95Å; F1166-F1212 HydrophobicContact CE1-CZ 3.95Å; L1171-F1212 HydrophobicContact CD2-CD1 3.87Å; L1171-F1212 HydrophobicContact CD2-CE1 4.05Å; I1205-F1212 HydrophobicContact CG2-CZ 4.4Å; F1212-K1214 VanDerWaalsContact C-N 3.3Å; F1212-K1214 VanDerWaalsContact CB-O 3.26Å; F1212-K1214 WeakPolarHBondContact CB-O 3.26Å; F1212-I1216 HydrophobicContact CB-CG2 4.44Å; F1212-I1216 HydrophobicContact CD1-CG2 4.31Å; F1212-I1216 HydrophobicContact CD2-CD1 4.01Å; F1212-I1216 HydrophobicContact CD2-CG1 3.9Å; F1212-I1216 HydrophobicContact CD2-CG2 3.85Å; F1212-I1216 HydrophobicContact CE2-CD1 3.46Å; F1212-I1216 VanDerWaalsContact CE2-CD1 3.46Å; F1212-I1216 HydrophobicContact CE2-CG1 3.9Å; F1212-I1216 HydrophobicContact CE2-CG2 4.15Å; F1212-I1216 HydrophobicContact CG-CG2 3.94Å; F1212-I1216 HydrophobicContact CZ-CD1 4.1Å; F1212-T1283 PolarHBondContact N-O 3.12Å
1213H88.2Confident88Confident108 Ų10844 Ų4450%0.521%0.207SC..EExtended strand (participates in β ladder)trans-78.1-16.7179.3-63.2-86.4000113.3G1169 A1170 Q1172G1169-H1213 WeakPolarHBondContact O-CB 3.3Å; A1170-H1213 PolarHBondContact O-N 2.89Å; Q1172-H1213 WeakPolarHBondContact CG-NE2 3.27Å; Q1172-H1213 PolarHBondContact NE2-CE1 2.93Å; Q1172-H1213 VanDerWaalsContact NE2-CE1 3.34Å
1214K89.2Confident86.8Confident102 Ų10250.7 Ų50.744%0.44324%0.236SC..EExtended strand (participates in β ladder)trans-137.8149.9170.1-65.3-175.7-178.2178.20108P1167 Q1168 A1170 F1212 I1216P1167-K1214 HydrophobicContact CG-CB 4.06Å; Q1168-K1214 WeakPolarHBondContact O-CD 3.28Å; Q1168-K1214 WeakPolarHBondContact O-CE 3.34Å; Q1168-K1214 PolarHBondContact O-NZ 3.45Å; A1170-K1214 HydrophobicContact CB-CB 4.28Å; F1212-K1214 VanDerWaalsContact C-N 3.3Å; F1212-K1214 VanDerWaalsContact CB-O 3.26Å; F1212-K1214 WeakPolarHBondContact CB-O 3.26Å; K1214-I1216 PolarHBondContact O-N 2.98Å
1215P89.4Confident85.3Confident66 Ų6652.5 Ų52.543%0.42925%0.247SC..EExtended strand (participates in β ladder)trans-58.5135.2175.7-2031.1000111P1167 T1281 S1282 T1283P1167-P1215 WeakPolarHBondContact CD-O 3.33Å; P1167-P1215 VanDerWaalsContact CG-O 3.25Å; P1167-P1215 WeakPolarHBondContact CG-O 3.3Å; P1215-T1281 HydrophobicContact CB-CG2 4.44Å; P1215-S1282 CarbonylContact C-O 3.55Å; P1215-S1282 VanDerWaalsContact CA-O 3.26Å; P1215-S1282 WeakPolarHBondContact CA-O 3.41Å; P1215-T1283 HydrophobicContact CB-CG2 4.31Å; P1215-T1283 HydrophobicContact CG-CG2 4.12Å
1216I92.2Very high83.5Confident0 Ų052.7 Ų52.70%025%0.249CC..EExtended strand (participates in β ladder)trans-86.8149.6169.456.4161.1000109.3V1164 R1165 F1166 A1170 I1205 F1212 K1214 L1218 T1281 S1282V1164-I1216 HydrophobicContact CG1-CB 4.49Å; V1164-I1216 HydrophobicContact CG1-CD1 3.86Å; R1165-I1216 WeakPolarHBondContact O-CA 3.07Å; F1166-I1216 HydrophobicContact CD1-CG2 3.51Å; F1166-I1216 HydrophobicContact CE1-CG2 3.74Å; F1166-I1216 HydrophobicContact CG-CG2 4.2Å; A1170-I1216 HydrophobicContact CB-CG2 4.46Å; I1205-I1216 HydrophobicContact CD1-CD1 3.41Å; I1205-I1216 VanDerWaalsContact CD1-CD1 3.41Å; F1212-I1216 HydrophobicContact CB-CG2 4.44Å; F1212-I1216 HydrophobicContact CD1-CG2 4.31Å; F1212-I1216 HydrophobicContact CD2-CD1 4.01Å; F1212-I1216 HydrophobicContact CD2-CG1 3.9Å; F1212-I1216 HydrophobicContact CD2-CG2 3.85Å; F1212-I1216 HydrophobicContact CE2-CD1 3.46Å; F1212-I1216 VanDerWaalsContact CE2-CD1 3.46Å; F1212-I1216 HydrophobicContact CE2-CG1 3.9Å; F1212-I1216 HydrophobicContact CE2-CG2 4.15Å; F1212-I1216 HydrophobicContact CG-CG2 3.94Å; F1212-I1216 HydrophobicContact CZ-CD1 4.1Å; K1214-I1216 PolarHBondContact O-N 2.98Å; I1216-L1218 HydrophobicContact CD1-CD1 3.89Å; I1216-L1218 HydrophobicContact CG1-CD1 4.25Å; I1216-T1281 VanDerWaalsContact O-CA 3.23Å; I1216-T1281 WeakPolarHBondContact O-CA 3.49Å; I1216-T1281 WeakPolarHBondContact O-CB 3.33Å; I1216-S1282 WeakPolarHBondContact CG1-O 3.05Å; I1216-S1282 PolarHBondContact N-O 3.44Å; I1216-S1282 PolarHBondContact O-N 2.68Å
1217T92.2Very high82Confident50 Ų5054.2 Ų54.231%0.30726%0.258SS..EExtended strand (participates in β ladder)trans-94.9131.4172.4-47.30000109.3V1164 R1165 F1280V1164-T1217 CarbonylContact C-O 3.54Å; V1164-T1217 WeakPolarHBondContact CA-O 3.49Å; R1165-T1217 PolarHBondContact N-O 2.88Å; R1165-T1217 PolarHBondContact O-N 3.06Å; T1217-F1280 WeakPolarHBondContact CA-O 3.32Å
1218L93.6Very high80.3Confident0 Ų054.9 Ų54.90%026%0.264CS..EExtended strand (participates in β ladder)trans-114.1138.4171.3-82.5117.5000109.4V1164 V1203 I1205 I1216 S1279 F1280 L1288V1164-L1218 HydrophobicContact CG1-CG 4.44Å; V1164-L1218 HydrophobicContact CG2-CD2 3.98Å; V1164-L1218 HydrophobicContact CG2-CG 4.21Å; V1203-L1218 HydrophobicContact CG1-CD2 4.12Å; I1205-L1218 HydrophobicContact CD1-CD1 4.08Å; I1205-L1218 HydrophobicContact CD1-CD2 4.02Å; I1205-L1218 HydrophobicContact CD1-CG 4.35Å; I1216-L1218 HydrophobicContact CD1-CD1 3.89Å; I1216-L1218 HydrophobicContact CG1-CD1 4.25Å; L1218-S1279 CarbonylContact O-C 3.53Å; L1218-S1279 WeakPolarHBondContact O-CA 3.46Å; L1218-F1280 HydrophobicContact CB-CD1 4.4Å; L1218-F1280 HydrophobicContact CB-CD2 4.41Å; L1218-F1280 HydrophobicContact CB-CE1 3.96Å; L1218-F1280 HydrophobicContact CB-CE2 3.98Å; L1218-F1280 HydrophobicContact CB-CZ 3.74Å; L1218-F1280 HydrophobicContact CD1-CE2 4.01Å; L1218-F1280 HydrophobicContact CD1-CZ 4.37Å; L1218-F1280 HydrophobicContact CD2-CZ 4.4Å; L1218-F1280 HydrophobicContact CG-CE2 4.48Å; L1218-F1280 HydrophobicContact CG-CZ 4.4Å; L1218-F1280 PolarHBondContact N-O 2.93Å; L1218-F1280 PolarHBondContact O-N 3.41Å; L1218-L1288 HydrophobicContact CD1-CD1 3.86Å; L1218-L1288 HydrophobicContact CD2-CD1 3.87Å; L1218-L1288 HydrophobicContact CG-CD1 4.5Å
1219T91.9Very high78.8Confident6 Ų662.1 Ų62.14%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-120.4129.4171.9-46.40000109.2V1162 H1163 V1278V1162-T1219 WeakPolarHBondContact CA-O 2.93Å; H1163-T1219 PolarHBondContact CD2-OG1 2.92Å; H1163-T1219 WeakPolarHBondContact CE1-CB 3.26Å; H1163-T1219 PolarHBondContact CE1-OG1 3.03Å; H1163-T1219 VanDerWaalsContact CE1-OG1 3.25Å; H1163-T1219 PolarHBondContact NE2-OG1 2.82Å; H1163-T1219 PolarHBondContact O-N 3.15Å; T1219-V1278 WeakPolarHBondContact CA-O 3.5Å
1220I92.6Very high77.3Confident0 Ų059.1 Ų59.10%029%0.288CS..EExtended strand (participates in β ladder)trans-136.5137-178.6-55.6-173.8000109S1200 V1203 V1278 F1280 L1288 L1290S1200-I1220 WeakPolarHBondContact OG-CG2 3.49Å; V1203-I1220 HydrophobicContact CB-CD1 4.2Å; V1203-I1220 HydrophobicContact CG2-CD1 3.76Å; V1203-I1220 HydrophobicContact CG2-CG1 4.05Å; I1220-V1278 PolarHBondContact N-O 3.1Å; I1220-V1278 PolarHBondContact O-N 3.39Å; I1220-F1280 HydrophobicContact CD1-CE1 3.72Å; I1220-F1280 HydrophobicContact CD1-CZ 3.86Å; I1220-F1280 HydrophobicContact CG1-CE1 3.98Å; I1220-F1280 HydrophobicContact CG1-CZ 4.5Å; I1220-L1288 HydrophobicContact CD1-CB 4.46Å; I1220-L1290 HydrophobicContact CB-CD1 4.47Å; I1220-L1290 HydrophobicContact CG2-CD1 4.34Å
1221P90Very high75.4Confident21 Ų2159.5 Ų59.514%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-67151.4177.827.4-35.1000113V1159 D1161 S1200 P1201V1159-P1221 HydrophobicContact CG1-CG 4.39Å; D1161-P1221 HydrophobicContact CB-CB 4.38Å; D1161-P1221 HydrophobicContact CB-CG 4.4Å; S1200-P1221 WeakPolarHBondContact CB-O 3.48Å; P1201-P1221 HydrophobicContact CG-CG 4.16Å
1222L83.9Confident73.1Confident15 Ų1555.2 Ų55.28%0.07931%0.305CS..PPolyproline II helixtrans-68.4143.5179.6-82.1168000112.9I1227 F1230 L1247 V1273 L1276 V1278L1222-I1227 HydrophobicContact CB-CG1 4.29Å; L1222-F1230 HydrophobicContact CD1-CD2 4.43Å; L1222-F1230 HydrophobicContact CD1-CE2 4.49Å; L1222-L1247 HydrophobicContact CD2-CD2 4.3Å; L1222-V1273 HydrophobicContact CD1-CG1 4.29Å; L1222-L1276 PolarHBondContact N-O 2.84Å; L1222-V1278 HydrophobicContact CD2-CG2 3.43Å; L1222-V1278 VanDerWaalsContact CD2-CG2 3.43Å; L1222-V1278 HydrophobicContact CG-CG2 3.91Å
1223P79.8Confident70.7Confident1 Ų159.7 Ų59.71%0.00633%0.333CS..PPolyproline II helixtrans-57.7140.1167.4-23.334.3000112.1S1198 T1225 A1226 L1247 L1290 D1292S1198-P1223 WeakPolarHBondContact OG-CB 3.46Å; P1223-T1225 VanDerWaalsContact C-N 3.3Å; P1223-T1225 PolarHBondContact O-N 3.33Å; P1223-A1226 WeakPolarHBondContact O-CB 3.47Å; P1223-A1226 PolarHBondContact O-N 3.4Å; P1223-A1226 VanDerWaalsContact O-N 3.14Å; P1223-L1247 HydrophobicContact CG-CD1 4.03Å; P1223-L1290 HydrophobicContact CG-CB 3.95Å; P1223-D1292 HydrophobicContact CB-CB 4.11Å; P1223-D1292 HydrophobicContact CG-CB 4.36Å
1224K68.3Low67.9Low141 Ų14159.1 Ų59.161%0.61335%0.347SS*.Hα-helixtrans-59.9-33.4-167.9-67.2-173-174.1172.20114.1I1227K1224-I1227 PolarHBondContact O-N 3.32Å
1225T60.2Low65.1Low44 Ų4461.8 Ų61.827%0.2737%0.366SS..Hα-helixtrans-70.1-36.5-179.7-36.60000112S1198 P1223 I1227 S1228S1198-T1225 VanDerWaalsContact CB-OG1 3.28Å; S1198-T1225 WeakPolarHBondContact CB-OG1 3.39Å; S1198-T1225 PolarHBondContact OG-N 2.95Å; S1198-T1225 PolarHBondContact OG-OG1 2.87Å; P1223-T1225 VanDerWaalsContact C-N 3.3Å; P1223-T1225 PolarHBondContact O-N 3.33Å; T1225-I1227 PolarHBondContact O-N 3.26Å; T1225-S1228 WeakPolarHBondContact O-CB 3.12Å; T1225-S1228 PolarHBondContact O-N 2.91Å; T1225-S1228 PolarHBondContact O-OG 3.42Å
1226A54.3Low62.4Low7 Ų764.9 Ų64.96%0.05838%0.384CS..Hα-helixtrans-60.7-32.7178.100000112.6P1223 S1228 F1229 F1230 D1292P1223-A1226 WeakPolarHBondContact O-CB 3.47Å; P1223-A1226 PolarHBondContact O-N 3.4Å; P1223-A1226 VanDerWaalsContact O-N 3.14Å; A1226-S1228 PolarHBondContact O-N 2.8Å; A1226-F1229 WeakPolarHBondContact O-CB 3.29Å; A1226-F1229 PolarHBondContact O-N 3.21Å; A1226-F1230 WeakPolarHBondContact O-CD2 3.07Å; A1226-F1230 PolarHBondContact O-N 2.69Å; A1226-D1292 PolarHBondContact N-OD2 3.39Å
1227I54.2Low59.5Low62 Ų6274.1 Ų74.132%0.31842%0.424SS..Hα-helixtrans-58.7-34.6176.7-53.4175.9000111.1L1222 K1224 T1225 F1229 F1230 S1231 L1276L1222-I1227 HydrophobicContact CB-CG1 4.29Å; K1224-I1227 PolarHBondContact O-N 3.32Å; T1225-I1227 PolarHBondContact O-N 3.26Å; I1227-F1229 VanDerWaalsContact C-N 3.32Å; I1227-F1229 PolarHBondContact O-N 2.84Å; I1227-F1230 PolarHBondContact O-N 3.48Å; I1227-S1231 WeakPolarHBondContact O-CB 3.46Å; I1227-S1231 PolarHBondContact O-N 3.23Å; I1227-L1276 HydrophobicContact CD1-CD2 4.45Å; I1227-L1276 HydrophobicContact CG2-CD2 4.07Å
1228S47.2Very low56.7Low77 Ų7777.7 Ų77.754%0.53845%0.451SS..Hα-helixtrans-65.8-31.8177.474.50000113.3T1225 A1226T1225-S1228 WeakPolarHBondContact O-CB 3.12Å; T1225-S1228 PolarHBondContact O-N 2.91Å; T1225-S1228 PolarHBondContact O-OG 3.42Å; A1226-S1228 PolarHBondContact O-N 2.8Å
1229F48.8Very low53.7Low172 Ų17287.7 Ų87.775%0.75449%0.489SS*.Hα-helixtrans-71.4-40.2175.5-110.6-88.2000112.1A1226 I1227A1226-F1229 WeakPolarHBondContact O-CB 3.29Å; A1226-F1229 PolarHBondContact O-N 3.21Å; I1227-F1229 VanDerWaalsContact C-N 3.32Å; I1227-F1229 PolarHBondContact O-N 2.84Å
1230F49.1Very low51.5Low105 Ų10592 Ų9246%0.46152%0.519SS..Hα-helixtrans-76.5-28.8178.7-66.2-66.4000113.3L1222 A1226 I1227 G1232 I1242L1222-F1230 HydrophobicContact CD1-CD2 4.43Å; L1222-F1230 HydrophobicContact CD1-CE2 4.49Å; A1226-F1230 WeakPolarHBondContact O-CD2 3.07Å; A1226-F1230 PolarHBondContact O-N 2.69Å; I1227-F1230 PolarHBondContact O-N 3.48Å; F1230-G1232 PolarHBondContact O-N 2.6Å; F1230-G1232 VanDerWaalsContact O-N 3.17Å; F1230-I1242 HydrophobicContact CZ-CG2 4.46Å
1231S43.2Very low49.4Very low104 Ų10496.2 Ų96.273%0.72755%0.545SS*.THydrogen-bonded Turntrans-68-9.4176.6-1710000114.4I1227I1227-S1231 WeakPolarHBondContact O-CB 3.46Å; I1227-S1231 PolarHBondContact O-N 3.23Å
1232G39.8Very low47.5Very low64 Ų6497 Ų9766%0.6655%0.547SS*.THydrogen-bonded Turntrans-90.6-10.8-176.400000116.1F1230F1230-G1232 PolarHBondContact O-N 2.6Å; F1230-G1232 VanDerWaalsContact O-N 3.17Å
1233V36.9Very low46Very low109 Ų109102 Ų10266%0.66157%0.574SS**  trans-124.786.7-171.1-171.10000111.6
1234A30Very low44.9Very low95 Ų95104 Ų10479%0.78559%0.588SS**  trans-72154.9160.500000110.7
1235D30.4Very low44.9Very low158 Ų158101.7 Ų101.785%0.84559%0.588SS**  trans55.680.8-179.3-81.4-24.7000116.9
1236T32.1Very low45.8Very low131 Ų131100.9 Ų100.980%0.80458%0.584SS**  -155.8128.8126.10.10000112.3
1237K31Very low47.3Very low195 Ų195100.8 Ų100.885%0.84858%0.582SS**  trans-82150.9169.4-67.3173.9-178172.10109.6
1238S32.9Very low48.9Very low124 Ų124100.1 Ų100.187%0.86758%0.576SS**  trans68.380.2175.363.80000118.1
1239R30.6Very low51Low211 Ų21196.4 Ų96.480%0.79655%0.55SS**  trans-152.3133.9142.7-139.5164.8169.4149.5-9.5108.9D1243R1239-D1243 IonicContact NE-OD2 3.35Å; R1239-D1243 IonicContact NH2-OD2 3.63Å
1240S46.2Very low53.1Low97 Ų9788.2 Ų88.268%0.67851%0.514SS*.  trans-11726.6-16561.90000113.7
1241T47.8Very low55.2Low87 Ų8783.7 Ų83.753%0.53450%0.496SS..SBendtrans-143.4139.8-172.350.30000110D1243T1241-D1243 PolarHBondContact O-N 3.15Å
1242I50.8Low57.5Low38 Ų3878.8 Ų78.820%0.19546%0.461CS..  trans-85.2104.4179.8-50.8178.3000109.9F1230 S1244 L1247 L1271 V1273 V1278F1230-I1242 HydrophobicContact CZ-CG2 4.46Å; I1242-S1244 PolarHBondContact O-N 3.08Å; I1242-L1247 HydrophobicContact CD1-CD2 4.01Å; I1242-L1247 HydrophobicContact CG2-CD2 4.35Å; I1242-L1271 HydrophobicContact CD1-CB 3.62Å; I1242-L1271 HydrophobicContact CD1-CD1 4.1Å; I1242-L1271 HydrophobicContact CG1-CB 4.3Å; I1242-V1273 HydrophobicContact CD1-CG2 3.34Å; I1242-V1273 HydrophobicContact CG1-CG2 3.47Å; I1242-V1273 VanDerWaalsContact CG1-CG2 3.47Å; I1242-V1278 HydrophobicContact CD1-CG2 4.49Å
1243D51.7Low59.7Low119 Ų11979.1 Ų79.164%0.63645%0.447SS*.  trans-89.538.8171.6-67.4-27.4000111.5R1239 T1241R1239-D1243 IonicContact NE-OD2 3.35Å; R1239-D1243 IonicContact NH2-OD2 3.63Å; T1241-D1243 PolarHBondContact O-N 3.15Å
1244S58.2Low61.7Low43 Ų4374.3 Ų74.330%0.30142%0.419SS..  trans-94.6119174-177.90000110.6I1242 S1246I1242-S1244 PolarHBondContact O-N 3.08Å; S1244-S1246 PolarHBondContact O-N 2.84Å; S1244-S1246 PolarHBondContact OG-OG 2.7Å
1245P67.3Low63.5Low93 Ų9370.7 Ų70.760%0.60439%0.391SS*.SBendtrans-75.3-19.7-17729.4-34.6000114.2R1248 I1296P1245-R1248 PolarHBondContact O-NH2 3.09Å; P1245-I1296 WeakPolarHBondContact O-CD1 3.37Å
1246S79Confident65.3Low27 Ų2765.2 Ų65.219%0.18937%0.371CS..SBendtrans-88.9-21-175.760.20000114.7S1244 D1292 C1293S1244-S1246 PolarHBondContact O-N 2.84Å; S1244-S1246 PolarHBondContact OG-OG 2.7Å; S1246-D1292 VanDerWaalsContact CB-OD1 3.26Å; S1246-D1292 WeakPolarHBondContact CB-OD1 3.42Å; S1246-D1292 PolarHBondContact OG-OD1 2.86Å; S1246-C1293 WeakPolarHBondContact CA-O 3.4Å; S1246-C1293 WeakPolarHBondContact CB-O 3.35Å; S1246-C1293 PolarHBondContact O-N 3.17Å
1247L86.4Confident67.1Low6 Ų662.5 Ų62.53%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-81.2130.1-178-171.667.6000110.8L1222 P1223 I1242 L1271 L1290 D1292L1222-L1247 HydrophobicContact CD2-CD2 4.3Å; P1223-L1247 HydrophobicContact CG-CD1 4.03Å; I1242-L1247 HydrophobicContact CD1-CD2 4.01Å; I1242-L1247 HydrophobicContact CG2-CD2 4.35Å; L1247-L1271 HydrophobicContact CD2-CD1 4.41Å; L1247-L1290 HydrophobicContact CD1-CB 4.4Å; L1247-D1292 HydrophobicContact CD1-CB 4.17Å
1248R88.4Confident69.2Low47 Ų4756.4 Ų56.418%0.17734%0.337CS..EExtended strand (participates in β ladder)trans-131.7134.8-174.3-61.1-71.9148.1169.3-4.4110.9P1245 D1264 T1266 L1290 V1291 V1299P1245-R1248 PolarHBondContact O-NH2 3.09Å; R1248-D1264 WeakPolarHBondContact CD-OD2 3.27Å; R1248-D1264 IonicContact CZ-OD2 3.01Å; R1248-D1264 IonicContact NE-OD2 3.31Å; R1248-D1264 IonicContact NH1-OD2 2.74Å; R1248-D1264 PolarHBondContact NH1-OD2 3.48Å; R1248-T1266 WeakPolarHBondContact CA-OG1 3.46Å; R1248-L1290 CarbonylContact O-C 3.56Å; R1248-L1290 VanDerWaalsContact O-CA 3.31Å; R1248-L1290 WeakPolarHBondContact O-CA 3.47Å; R1248-V1291 PolarHBondContact N-O 3.34Å; R1248-V1291 PolarHBondContact O-N 2.86Å; R1248-V1299 HydrophobicContact CB-CG2 4.33Å; R1248-V1299 HydrophobicContact CG-CG1 4.38Å; R1248-V1299 HydrophobicContact CG-CG2 4.2Å
1249L91.2Very high71.2Confident0 Ų054.4 Ų54.40%032%0.321CS..EExtended strand (participates in β ladder)trans-98.4111169176.363.8000108.9I1265 T1266 L1271 F1280 L1288 L1290L1249-I1265 HydrophobicContact CB-CG1 4.32Å; L1249-I1265 HydrophobicContact CD2-CD1 3.67Å; L1249-I1265 HydrophobicContact CD2-CG1 3.82Å; L1249-I1265 HydrophobicContact CG-CD1 3.94Å; L1249-I1265 HydrophobicContact CG-CG1 3.73Å; L1249-I1265 WeakPolarHBondContact O-CG1 3.49Å; L1249-I1265 PolarHBondContact O-N 3.12Å; L1249-T1266 PolarHBondContact N-OG1 2.92Å; L1249-L1271 HydrophobicContact CB-CD2 4.34Å; L1249-L1271 HydrophobicContact CD2-CD2 3.86Å; L1249-F1280 HydrophobicContact CD1-CE1 4.03Å; L1249-F1280 HydrophobicContact CD1-CE2 4.18Å; L1249-F1280 HydrophobicContact CD1-CZ 3.77Å; L1249-F1280 HydrophobicContact CD2-CD1 4.43Å; L1249-F1280 HydrophobicContact CD2-CD2 3.74Å; L1249-F1280 HydrophobicContact CD2-CE1 4.47Å; L1249-F1280 HydrophobicContact CD2-CE2 3.79Å; L1249-F1280 HydrophobicContact CD2-CG 4.08Å; L1249-F1280 HydrophobicContact CD2-CZ 4.16Å; L1249-L1288 HydrophobicContact CD1-CD2 4.33Å; L1249-L1290 HydrophobicContact CB-CD2 4.08Å; L1249-L1290 HydrophobicContact CD1-CD2 3.87Å
1250L93Very high73.7Confident0 Ų045 Ų450%029%0.288CS..EExtended strand (participates in β ladder)trans-98.9139.1178-58.8-176000111W1262 E1263 D1264 L1288 W1289 V1291 V1299 V1300 A1303L1250-W1262 HydrophobicContact CB-CE3 4.05Å; L1250-E1263 WeakPolarHBondContact CA-O 3.09Å; L1250-D1264 HydrophobicContact CD2-CB 4.05Å; L1250-L1288 WeakPolarHBondContact O-CA 3.39Å; L1250-W1289 PolarHBondContact N-O 3.15Å; L1250-W1289 PolarHBondContact O-N 2.7Å; L1250-W1289 VanDerWaalsContact O-N 3.15Å; L1250-V1291 HydrophobicContact CD1-CG2 3.82Å; L1250-V1291 HydrophobicContact CG-CG2 4.34Å; L1250-V1299 HydrophobicContact CD2-CG1 4.41Å; L1250-V1300 HydrophobicContact CD2-CG2 4.47Å; L1250-A1303 HydrophobicContact CD1-CB 3.35Å
1251C91.9Very high75.6Confident10 Ų1043.5 Ų43.57%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-126.9145.4-177.7-173.30000111W1262 E1263 I1265 R1287 L1288C1251-W1262 CarbonylContact O-C 3.57Å; C1251-W1262 WeakPolarHBondContact O-CA 3.37Å; C1251-E1263 PolarHBondContact N-O 3.12Å; C1251-E1263 PolarHBondContact O-N 3.34Å; C1251-I1265 HydrophobicContact CB-CB 4.41Å; C1251-I1265 HydrophobicContact CB-CD1 3.68Å; C1251-I1265 HydrophobicContact CB-CG1 3.84Å; C1251-I1265 HydrophobicContact CB-CG2 3.7Å; C1251-R1287 CarbonylContact C-O 3.53Å; C1251-R1287 WeakPolarHBondContact CA-O 3.39Å; C1251-L1288 HydrophobicContact CB-CD2 3.85Å
1252S91.2Very high77.6Confident1 Ų139.9 Ų39.91%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-132123.5167.6168.10000110.3A1254 A1260 V1261 A1286 R1287S1252-A1254 PolarHBondContact OG-N 2.99Å; S1252-A1260 WeakPolarHBondContact OG-CA 3.48Å; S1252-V1261 VanDerWaalsContact CA-O 3.29Å; S1252-V1261 WeakPolarHBondContact CA-O 3.46Å; S1252-V1261 WeakPolarHBondContact CB-O 3.44Å; S1252-V1261 PolarHBondContact OG-N 2.83Å; S1252-V1261 PolarHBondContact OG-O 3.48Å; S1252-A1286 WeakPolarHBondContact O-CA 3.35Å; S1252-A1286 WeakPolarHBondContact O-CB 3.35Å; S1252-R1287 PolarHBondContact N-O 3.07Å; S1252-R1287 PolarHBondContact O-N 3.29Å
1253I86.5Confident79.5Confident70 Ų7043 Ų4336%0.35927%0.265SS..  trans-102.716.4174.962.6165.2000112.5R1209 A1286R1209-I1253 WeakPolarHBondContact CG-O 3.14Å; R1209-I1253 PolarHBondContact NE-O 3.46Å; I1253-A1286 HydrophobicContact CG2-CB 4.15Å
1254A79.4Confident81.3Confident9 Ų940.3 Ų40.37%0.07425%0.251CS..  trans-62.9135.6169.100000109.6R1208 S1252 S1258 P1259R1208-A1254 VanDerWaalsContact CD-O 3.29Å; R1208-A1254 WeakPolarHBondContact CD-O 3.37Å; R1208-A1254 PolarHBondContact NH1-O 3.45Å; S1252-A1254 PolarHBondContact OG-N 2.99Å; A1254-S1258 WeakPolarHBondContact CB-O 3.34Å; A1254-P1259 WeakPolarHBondContact CB-O 3.41Å
1255G68.5Low82.8Confident19 Ų1939.5 Ų39.520%0.19624%0.243CC..  trans-128.4153.8-174.400000111.8S1258G1255-S1258 PolarHBondContact O-N 2.9Å
1256G67.1Low83.7Confident42 Ų4236.8 Ų36.843%0.43322%0.224SC..THydrogen-bonded Turntrans59.2-138.5-168.500000111.1N1037 R1208 S1258N1037-G1256 PolarHBondContact OD1-O 3.4Å; R1208-G1256 PolarHBondContact NH1-O 3.34Å; R1208-G1256 PolarHBondContact NH2-O 3.42Å; G1256-S1258 VanDerWaalsContact C-N 3.32Å; G1256-S1258 PolarHBondContact O-N 3.26Å
1257T70.8Confident83.7Confident75 Ų7539.7 Ų39.746%0.4626%0.259SS..THydrogen-bonded Turntrans-85.67.3-178.255.80000115I1035 M1036I1035-T1257 HydrophobicContact CG2-CG2 3.29Å; M1036-T1257 WeakPolarHBondContact O-CG2 3.24Å
1258S74.3Confident83.4Confident66 Ų6643.5 Ų43.546%0.46229%0.286SS..SBendtrans-67.5125.6169-63.70000109.6A1254 G1255 G1256A1254-S1258 WeakPolarHBondContact CB-O 3.34Å; G1255-S1258 PolarHBondContact O-N 2.9Å; G1256-S1258 VanDerWaalsContact C-N 3.32Å; G1256-S1258 PolarHBondContact O-N 3.26Å
1259P74.3Confident83.1Confident82 Ų8242 Ų4253%0.53228%0.283SS..PPolyproline II helixtrans-64.1151.5-178.626.1-34.8000111.8D1038 A1254 V1261D1038-P1259 WeakPolarHBondContact OD1-CA 3.25Å; A1254-P1259 WeakPolarHBondContact CB-O 3.41Å; P1259-V1261 PolarHBondContact O-N 3.46Å
1260A83.5Confident82.5Confident14 Ų1446.9 Ų46.912%0.11632%0.315CS..PPolyproline II helixtrans-58.9130.7-176.100000113.3D1038 S1252 W1262 Y1307D1038-A1260 PolarHBondContact OD2-N 3.38Å; S1252-A1260 WeakPolarHBondContact OG-CA 3.48Å; A1260-W1262 HydrophobicContact CB-CZ2 4.38Å; A1260-Y1307 HydrophobicContact CB-CD1 4.06Å; A1260-Y1307 HydrophobicContact CB-CE1 3.34Å
1261V86.6Confident82.1Confident66 Ų6647.8 Ų47.840%0.432%0.319SS..  trans-116.7117.6171.7-179.60000107.8S1252 P1259S1252-V1261 VanDerWaalsContact CA-O 3.29Å; S1252-V1261 WeakPolarHBondContact CA-O 3.46Å; S1252-V1261 WeakPolarHBondContact CB-O 3.44Å; S1252-V1261 PolarHBondContact OG-N 2.83Å; S1252-V1261 PolarHBondContact OG-O 3.48Å; P1259-V1261 PolarHBondContact O-N 3.46Å
1262W90.6Very high81.6Confident11 Ų1150.1 Ų50.14%0.04233%0.333CS..  trans-92.6133.2-172.7-62.1109.2000112.9I1202 L1250 C1251 A1260 R1287 W1289 V1300 Y1307I1202-W1262 HydrophobicContact CG2-CH2 4.09Å; L1250-W1262 HydrophobicContact CB-CE3 4.05Å; C1251-W1262 CarbonylContact O-C 3.57Å; C1251-W1262 WeakPolarHBondContact O-CA 3.37Å; A1260-W1262 HydrophobicContact CB-CZ2 4.38Å; W1262-R1287 HydrophobicContact CH2-CG 3.87Å; W1262-R1287 HydrophobicContact CZ3-CG 4.4Å; W1262-W1289 AromaticContact CD2-NE1 3.72Å; W1262-W1289 AromaticContact CE2-NE1 3.77Å; W1262-W1289 AromaticContact CE3-CD1 3.88Å; W1262-W1289 AromaticContact CE3-NE1 3.43Å; W1262-W1289 AromaticContact CH2-CD1 3.54Å; W1262-W1289 AromaticContact CH2-CE2 3.91Å; W1262-W1289 HydrophobicContact CH2-CG 4.33Å; W1262-W1289 HydrophobicContact CH2-CZ2 4.5Å; W1262-W1289 AromaticContact CH2-NE1 3.24Å; W1262-W1289 AromaticContact CZ2-CE2 3.92Å; W1262-W1289 HydrophobicContact CZ2-CZ2 4.06Å; W1262-W1289 AromaticContact CZ2-NE1 3.56Å; W1262-W1289 AromaticContact CZ3-CD1 3.32Å; W1262-W1289 HydrophobicContact CZ3-CG 4.42Å; W1262-W1289 AromaticContact CZ3-NE1 3.2Å; W1262-V1300 HydrophobicContact CB-CG1 4.26Å; W1262-V1300 WeakPolarHBondContact O-CG1 3.44Å; W1262-Y1307 HydrophobicContact CZ2-CD1 4.02Å; W1262-Y1307 AromaticContact CZ2-CD2 3.76Å; W1262-Y1307 HydrophobicContact CZ2-CD2 3.76Å; W1262-Y1307 HydrophobicContact CZ2-CE1 4.26Å; W1262-Y1307 HydrophobicContact CZ2-CE2 4.02Å; W1262-Y1307 AromaticContact CZ2-CG 3.74Å; W1262-Y1307 HydrophobicContact CZ2-CG 3.74Å; W1262-Y1307 AromaticContact NE1-CD1 3.68Å; W1262-Y1307 AromaticContact NE1-CG 3.83Å
1263E90.6Very high80.9Confident104 Ų10452.3 Ų52.349%0.48635%0.347SS..EExtended strand (participates in β ladder)trans-125.5138.8176.5-61.9178.7164.300110.2L1250 C1251 I1265L1250-E1263 WeakPolarHBondContact CA-O 3.09Å; C1251-E1263 PolarHBondContact N-O 3.12Å; C1251-E1263 PolarHBondContact O-N 3.34Å; E1263-I1265 PolarHBondContact O-N 3.1Å
1264D89.6Confident80.2Confident62 Ų6254.4 Ų54.433%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-79110.2171.2179.75.8000110R1248 L1250 T1266R1248-D1264 WeakPolarHBondContact CD-OD2 3.27Å; R1248-D1264 IonicContact CZ-OD2 3.01Å; R1248-D1264 IonicContact NE-OD2 3.31Å; R1248-D1264 IonicContact NH1-OD2 2.74Å; R1248-D1264 PolarHBondContact NH1-OD2 3.48Å; L1250-D1264 HydrophobicContact CD2-CB 4.05Å; D1264-T1266 WeakPolarHBondContact OD1-CB 3.36Å; D1264-T1266 PolarHBondContact OD1-N 3.31Å; D1264-T1266 PolarHBondContact OD1-OG1 2.84Å
1265I89.7Confident79.9Confident25 Ų2561.6 Ų61.613%0.12839%0.392CS..  trans-104.29.5-179.564158.7000113.2L1249 C1251 E1263 G1267 S1268 S1269 L1288L1249-I1265 HydrophobicContact CB-CG1 4.32Å; L1249-I1265 HydrophobicContact CD2-CD1 3.67Å; L1249-I1265 HydrophobicContact CD2-CG1 3.82Å; L1249-I1265 HydrophobicContact CG-CD1 3.94Å; L1249-I1265 HydrophobicContact CG-CG1 3.73Å; L1249-I1265 WeakPolarHBondContact O-CG1 3.49Å; L1249-I1265 PolarHBondContact O-N 3.12Å; C1251-I1265 HydrophobicContact CB-CB 4.41Å; C1251-I1265 HydrophobicContact CB-CD1 3.68Å; C1251-I1265 HydrophobicContact CB-CG1 3.84Å; C1251-I1265 HydrophobicContact CB-CG2 3.7Å; E1263-I1265 PolarHBondContact O-N 3.1Å; I1265-G1267 PolarHBondContact O-N 2.86Å; I1265-G1267 VanDerWaalsContact O-N 3.16Å; I1265-S1268 PolarHBondContact O-N 3.07Å; I1265-S1268 PolarHBondContact O-OG 3.45Å; I1265-S1269 PolarHBondContact O-N 3.42Å; I1265-L1288 HydrophobicContact CD1-CD2 4Å
1266T85.3Confident80.3Confident36 Ų3666 Ų6622%0.22141%0.41CS..THydrogen-bonded Turntrans-56.8-33.2-176.2-48.70000112.6R1248 L1249 D1264 S1268 L1271R1248-T1266 WeakPolarHBondContact CA-OG1 3.46Å; L1249-T1266 PolarHBondContact N-OG1 2.92Å; D1264-T1266 WeakPolarHBondContact OD1-CB 3.36Å; D1264-T1266 PolarHBondContact OD1-N 3.31Å; D1264-T1266 PolarHBondContact OD1-OG1 2.84Å; T1266-S1268 VanDerWaalsContact C-N 3.3Å; T1266-S1268 PolarHBondContact O-N 3.47Å; T1266-L1271 HydrophobicContact CG2-CD1 4.43Å
1267G79.1Confident81.1Confident88 Ų8865.1 Ų65.191%0.90740%0.397SS*.THydrogen-bonded Turntrans-74.7-1317600000115.3I1265I1265-G1267 PolarHBondContact O-N 2.86Å; I1265-G1267 VanDerWaalsContact O-N 3.16Å
1268S80.4Confident81.9Confident87 Ų8761.5 Ų61.561%0.60838%0.375SS*.THydrogen-bonded Turntrans-114-25.6-174.950.80000114.9I1265 T1266I1265-S1268 PolarHBondContact O-N 3.07Å; I1265-S1268 PolarHBondContact O-OG 3.45Å; T1266-S1268 VanDerWaalsContact C-N 3.3Å; T1266-S1268 PolarHBondContact O-N 3.47Å
1269S80.8Confident82.6Confident16 Ų1659.3 Ų59.311%0.11236%0.36CS..SBendtrans-115.3100.5175.8-81.50000110I1265 T1281I1265-S1269 PolarHBondContact O-N 3.42Å; S1269-T1281 PolarHBondContact OG-O 3.36Å
1270P79.8Confident83.4Confident102 Ų10255.6 Ų55.666%0.66234%0.335SS*.  trans-65137.6-178.826.5-34.2000111.6
1271L84.2Confident83.7Confident18 Ų1857.8 Ų57.89%0.09435%0.347CS..  trans-98.7124.4-175.3-54.4-176000111I1242 L1247 L1249 T1266 V1278 F1280I1242-L1271 HydrophobicContact CD1-CB 3.62Å; I1242-L1271 HydrophobicContact CD1-CD1 4.1Å; I1242-L1271 HydrophobicContact CG1-CB 4.3Å; L1247-L1271 HydrophobicContact CD2-CD1 4.41Å; L1249-L1271 HydrophobicContact CB-CD2 4.34Å; L1249-L1271 HydrophobicContact CD2-CD2 3.86Å; T1266-L1271 HydrophobicContact CG2-CD1 4.43Å; L1271-V1278 HydrophobicContact CB-CG1 3.75Å; L1271-V1278 HydrophobicContact CD1-CG1 4.46Å; L1271-V1278 HydrophobicContact CD2-CG1 3.99Å; L1271-V1278 HydrophobicContact CG-CG1 4.27Å; L1271-F1280 HydrophobicContact CD2-CB 3.95Å; L1271-F1280 HydrophobicContact CD2-CD1 4.43Å; L1271-F1280 HydrophobicContact CD2-CG 4.31Å
1272T82Confident83.8Confident59 Ų5955.5 Ų55.536%0.36233%0.334SS..EExtended strand (participates in β ladder)trans-112.5120.4171.9370000110.9S1279T1272-S1279 PolarHBondContact N-O 3.04Å; T1272-S1279 PolarHBondContact O-N 2.78Å; T1272-S1279 PolarHBondContact OG1-O 3.05Å
1273V75.9Confident83.8Confident48 Ų4858.3 Ų58.329%0.29135%0.353SS..EExtended strand (participates in β ladder)trans-82.9135.6177.8-175.50000110.8L1222 I1242 S1277L1222-V1273 HydrophobicContact CD1-CG1 4.29Å; I1242-V1273 HydrophobicContact CD1-CG2 3.34Å; I1242-V1273 HydrophobicContact CG1-CG2 3.47Å; I1242-V1273 VanDerWaalsContact CG1-CG2 3.47Å; V1273-S1277 WeakPolarHBondContact CA-O 3.4Å
1274H70.7Confident83.7Confident114 Ų11455.3 Ų55.353%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-131.6116.4164.3-68.7-61.8000109.3L1276 S1277H1274-L1276 PolarHBondContact O-N 3.45Å; H1274-S1277 PolarHBondContact N-O 3.37Å; H1274-S1277 PolarHBondContact O-N 3.15Å; H1274-S1277 PolarHBondContact O-OG 3.49Å
1275D74.4Confident83.6Confident159 Ų15952.4 Ų52.485%0.8533%0.326SS*.THydrogen-bonded Turntrans51.1-95.8-176.2-53.4-34.2000113.8
1276L77.5Confident83.7Confident111 Ų11151.2 Ų51.258%0.58132%0.32SS*.THydrogen-bonded Turntrans-113.313179.5-63.1174.1000113.1L1222 I1227 H1274L1222-L1276 PolarHBondContact N-O 2.84Å; I1227-L1276 HydrophobicContact CD1-CD2 4.45Å; I1227-L1276 HydrophobicContact CG2-CD2 4.07Å; H1274-L1276 PolarHBondContact O-N 3.45Å
1277S83Confident84Confident24 Ų2449.9 Ų49.917%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-128155.8-173.7710000112.7V1273 H1274V1273-S1277 WeakPolarHBondContact CA-O 3.4Å; H1274-S1277 PolarHBondContact N-O 3.37Å; H1274-S1277 PolarHBondContact O-N 3.15Å; H1274-S1277 PolarHBondContact O-OG 3.49Å
1278V87.4Confident84.7Confident0 Ų045.7 Ų45.70%027%0.268CS..EExtended strand (participates in β ladder)trans-112.3121.3171.9-174.20000109T1219 I1220 L1222 I1242 L1271 L1290T1219-V1278 WeakPolarHBondContact CA-O 3.5Å; I1220-V1278 PolarHBondContact N-O 3.1Å; I1220-V1278 PolarHBondContact O-N 3.39Å; L1222-V1278 HydrophobicContact CD2-CG2 3.43Å; L1222-V1278 VanDerWaalsContact CD2-CG2 3.43Å; L1222-V1278 HydrophobicContact CG-CG2 3.91Å; I1242-V1278 HydrophobicContact CD1-CG2 4.49Å; L1271-V1278 HydrophobicContact CB-CG1 3.75Å; L1271-V1278 HydrophobicContact CD1-CG1 4.46Å; L1271-V1278 HydrophobicContact CD2-CG1 3.99Å; L1271-V1278 HydrophobicContact CG-CG1 4.27Å; V1278-L1290 HydrophobicContact CB-CD1 3.95Å; V1278-L1290 HydrophobicContact CG2-CD1 3.74Å
1279S89Confident85.4Confident19 Ų1941.6 Ų41.613%0.13324%0.239CC..EExtended strand (participates in β ladder)trans-94.9134.3167.3-61.50000110L1218 T1272L1218-S1279 CarbonylContact O-C 3.53Å; L1218-S1279 WeakPolarHBondContact O-CA 3.46Å; T1272-S1279 PolarHBondContact N-O 3.04Å; T1272-S1279 PolarHBondContact O-N 2.78Å; T1272-S1279 PolarHBondContact OG1-O 3.05Å
1280F91.1Very high85.9Confident4 Ų440.8 Ų40.82%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-144.6178.2171.662.9-84000110.8T1217 L1218 I1220 L1249 L1271 L1288T1217-F1280 WeakPolarHBondContact CA-O 3.32Å; L1218-F1280 HydrophobicContact CB-CD1 4.4Å; L1218-F1280 HydrophobicContact CB-CD2 4.41Å; L1218-F1280 HydrophobicContact CB-CE1 3.96Å; L1218-F1280 HydrophobicContact CB-CE2 3.98Å; L1218-F1280 HydrophobicContact CB-CZ 3.74Å; L1218-F1280 HydrophobicContact CD1-CE2 4.01Å; L1218-F1280 HydrophobicContact CD1-CZ 4.37Å; L1218-F1280 HydrophobicContact CD2-CZ 4.4Å; L1218-F1280 HydrophobicContact CG-CE2 4.48Å; L1218-F1280 HydrophobicContact CG-CZ 4.4Å; L1218-F1280 PolarHBondContact N-O 2.93Å; L1218-F1280 PolarHBondContact O-N 3.41Å; I1220-F1280 HydrophobicContact CD1-CE1 3.72Å; I1220-F1280 HydrophobicContact CD1-CZ 3.86Å; I1220-F1280 HydrophobicContact CG1-CE1 3.98Å; I1220-F1280 HydrophobicContact CG1-CZ 4.5Å; L1249-F1280 HydrophobicContact CD1-CE1 4.03Å; L1249-F1280 HydrophobicContact CD1-CE2 4.18Å; L1249-F1280 HydrophobicContact CD1-CZ 3.77Å; L1249-F1280 HydrophobicContact CD2-CD1 4.43Å; L1249-F1280 HydrophobicContact CD2-CD2 3.74Å; L1249-F1280 HydrophobicContact CD2-CE1 4.47Å; L1249-F1280 HydrophobicContact CD2-CE2 3.79Å; L1249-F1280 HydrophobicContact CD2-CG 4.08Å; L1249-F1280 HydrophobicContact CD2-CZ 4.16Å; L1271-F1280 HydrophobicContact CD2-CB 3.95Å; L1271-F1280 HydrophobicContact CD2-CD1 4.43Å; L1271-F1280 HydrophobicContact CD2-CG 4.31Å; F1280-L1288 HydrophobicContact CE2-CD1 4.06Å; F1280-L1288 HydrophobicContact CE2-CD2 4.22Å; F1280-L1288 HydrophobicContact CZ-CB 4.46Å; F1280-L1288 HydrophobicContact CZ-CD1 4.14Å; F1280-L1288 HydrophobicContact CZ-CD2 4.41Å
1281T90.8Very high86.4Confident61 Ų6136.1 Ų36.137%0.37420%0.203SC..EExtended strand (participates in β ladder)trans-121.6147.7176.358.30000112.6P1215 I1216 S1269P1215-T1281 HydrophobicContact CB-CG2 4.44Å; I1216-T1281 VanDerWaalsContact O-CA 3.23Å; I1216-T1281 WeakPolarHBondContact O-CA 3.49Å; I1216-T1281 WeakPolarHBondContact O-CB 3.33Å; S1269-T1281 PolarHBondContact OG-O 3.36Å
1282S89Confident86.5Confident17 Ų1736 Ų3612%0.11920%0.202CC..EExtended strand (participates in β ladder)trans-130.2151.5172.3-178.30000110.8P1215 I1216 V1284P1215-S1282 CarbonylContact C-O 3.55Å; P1215-S1282 VanDerWaalsContact CA-O 3.26Å; P1215-S1282 WeakPolarHBondContact CA-O 3.41Å; I1216-S1282 WeakPolarHBondContact CG1-O 3.05Å; I1216-S1282 PolarHBondContact N-O 3.44Å; I1216-S1282 PolarHBondContact O-N 2.68Å; S1282-V1284 PolarHBondContact OG-N 3.32Å; S1282-V1284 VanDerWaalsContact OG-N 3.15Å; S1282-V1284 PolarHBondContact OG-O 3.49Å
1283T89.6Confident86.6Confident71 Ų7133.3 Ų33.344%0.43619%0.186SC..EExtended strand (participates in β ladder)trans-104.7-2.8172.158.60000113.3K1211 F1212 P1215K1211-T1283 WeakPolarHBondContact CA-O 3.46Å; F1212-T1283 PolarHBondContact N-O 3.12Å; P1215-T1283 HydrophobicContact CB-CG2 4.31Å; P1215-T1283 HydrophobicContact CG-CG2 4.12Å
1284V88.2Confident86.7Confident40 Ų4035.3 Ų35.324%0.24220%0.2CC..EExtended strand (participates in β ladder)trans-137.5145.4-176.7-169.80000110.2S1282S1282-V1284 PolarHBondContact OG-N 3.32Å; S1282-V1284 VanDerWaalsContact OG-N 3.15Å; S1282-V1284 PolarHBondContact OG-O 3.49Å
1285S88.7Confident87.2Confident1 Ų132.5 Ų32.51%0.00719%0.189CC..  trans-74.8125169.442.40000110.9P1207 R1209 R1210P1207-S1285 PolarHBondContact O-OG 3.3Å; R1209-S1285 PolarHBondContact N-O 3.24Å; R1210-S1285 VanDerWaalsContact CA-OG 3.31Å; R1210-S1285 WeakPolarHBondContact CA-OG 3.43Å; R1210-S1285 VanDerWaalsContact CB-OG 3.28Å; R1210-S1285 WeakPolarHBondContact CB-OG 3.37Å; R1210-S1285 PolarHBondContact N-OG 2.9Å; R1210-S1285 PolarHBondContact O-N 2.92Å; R1210-S1285 PolarHBondContact O-OG 2.95Å
1286A90.8Very high87.5Confident1 Ų128.4 Ų28.41%0.00817%0.166CC..  trans-151.7174.8-168.800000110.4I1205 S1252 I1253 L1288I1205-A1286 PolarHBondContact N-O 3.04Å; S1252-A1286 WeakPolarHBondContact O-CA 3.35Å; S1252-A1286 WeakPolarHBondContact O-CB 3.35Å; I1253-A1286 HydrophobicContact CG2-CB 4.15Å; A1286-L1288 HydrophobicContact CB-CG 4.34Å
1287R92.3Very high87.7Confident8 Ų829.4 Ų29.43%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-100.3127.7167.5-172.6176.6-69.9143.1-6.2108.9D1038 I1202 V1203 T1204 C1251 S1252 W1262 Y1307D1038-R1287 IonicContact OD2-CZ 3.64Å; D1038-R1287 IonicContact OD2-NH1 3.48Å; D1038-R1287 PolarHBondContact OD2-NH1 2.8Å; D1038-R1287 IonicContact OD2-NH2 2.73Å; I1202-R1287 HydrophobicContact CG2-CG 3.53Å; V1203-R1287 CarbonylContact O-C 3.55Å; V1203-R1287 WeakPolarHBondContact O-CA 3.25Å; T1204-R1287 HydrophobicContact CG2-CB 4.17Å; T1204-R1287 HydrophobicContact CG2-CG 4.5Å; T1204-R1287 WeakPolarHBondContact OG1-CG 3.24Å; T1204-R1287 PolarHBondContact OG1-NE 3.18Å; T1204-R1287 VanDerWaalsContact OG1-NE 3.13Å; C1251-R1287 CarbonylContact C-O 3.53Å; C1251-R1287 WeakPolarHBondContact CA-O 3.39Å; S1252-R1287 PolarHBondContact N-O 3.07Å; S1252-R1287 PolarHBondContact O-N 3.29Å; W1262-R1287 HydrophobicContact CH2-CG 3.87Å; W1262-R1287 HydrophobicContact CZ3-CG 4.4Å; R1287-Y1307 WeakPolarHBondContact CD-OH 3.46Å; R1287-Y1307 PolarHBondContact NE-OH 2.81Å; R1287-Y1307 PolarHBondContact NH1-OH 2.87Å
1288L93.8Very high87.7Confident0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-138.3140.9-163.3-72.3158.5000112.1V1203 L1218 I1220 L1249 L1250 C1251 I1265 F1280 A1286V1203-L1288 PolarHBondContact N-O 3.01Å; V1203-L1288 PolarHBondContact O-N 3.36Å; L1218-L1288 HydrophobicContact CD1-CD1 3.86Å; L1218-L1288 HydrophobicContact CD2-CD1 3.87Å; L1218-L1288 HydrophobicContact CG-CD1 4.5Å; I1220-L1288 HydrophobicContact CD1-CB 4.46Å; L1249-L1288 HydrophobicContact CD1-CD2 4.33Å; L1250-L1288 WeakPolarHBondContact O-CA 3.39Å; C1251-L1288 HydrophobicContact CB-CD2 3.85Å; I1265-L1288 HydrophobicContact CD1-CD2 4Å; F1280-L1288 HydrophobicContact CE2-CD1 4.06Å; F1280-L1288 HydrophobicContact CE2-CD2 4.22Å; F1280-L1288 HydrophobicContact CZ-CB 4.46Å; F1280-L1288 HydrophobicContact CZ-CD1 4.14Å; F1280-L1288 HydrophobicContact CZ-CD2 4.41Å; A1286-L1288 HydrophobicContact CB-CG 4.34Å
1289W94.2Very high87.7Confident0 Ų032.8 Ų32.80%019%0.191CC..EExtended strand (participates in β ladder)trans-159.7161.2171.462.2-29.2000113V1184 V1199 I1202 L1250 W1262 V1291 A1303 V1306V1184-W1289 HydrophobicContact CG2-CE3 4.48Å; V1184-W1289 HydrophobicContact CG2-CZ3 4.13Å; V1199-W1289 HydrophobicContact CB-CE3 3.87Å; V1199-W1289 HydrophobicContact CB-CZ3 3.92Å; V1199-W1289 HydrophobicContact CG1-CE3 4.21Å; V1199-W1289 HydrophobicContact CG1-CZ3 3.88Å; V1199-W1289 HydrophobicContact CG2-CE3 4.25Å; V1199-W1289 HydrophobicContact CG2-CZ3 4.05Å; I1202-W1289 HydrophobicContact CD1-CD2 3.99Å; I1202-W1289 HydrophobicContact CD1-CE3 3.77Å; I1202-W1289 HydrophobicContact CD1-CH2 4.07Å; I1202-W1289 HydrophobicContact CD1-CZ2 4.27Å; I1202-W1289 HydrophobicContact CD1-CZ3 3.82Å; I1202-W1289 HydrophobicContact CG1-CB 4.08Å; I1202-W1289 HydrophobicContact CG1-CD2 3.74Å; I1202-W1289 HydrophobicContact CG1-CE3 3.52Å; I1202-W1289 HydrophobicContact CG1-CG 4.05Å; I1202-W1289 HydrophobicContact CG1-CZ3 4.06Å; L1250-W1289 PolarHBondContact N-O 3.15Å; L1250-W1289 PolarHBondContact O-N 2.7Å; L1250-W1289 VanDerWaalsContact O-N 3.15Å; W1262-W1289 AromaticContact CD2-NE1 3.72Å; W1262-W1289 AromaticContact CE2-NE1 3.77Å; W1262-W1289 AromaticContact CE3-CD1 3.88Å; W1262-W1289 AromaticContact CE3-NE1 3.43Å; W1262-W1289 AromaticContact CH2-CD1 3.54Å; W1262-W1289 AromaticContact CH2-CE2 3.91Å; W1262-W1289 HydrophobicContact CH2-CG 4.33Å; W1262-W1289 HydrophobicContact CH2-CZ2 4.5Å; W1262-W1289 AromaticContact CH2-NE1 3.24Å; W1262-W1289 AromaticContact CZ2-CE2 3.92Å; W1262-W1289 HydrophobicContact CZ2-CZ2 4.06Å; W1262-W1289 AromaticContact CZ2-NE1 3.56Å; W1262-W1289 AromaticContact CZ3-CD1 3.32Å; W1262-W1289 HydrophobicContact CZ3-CG 4.42Å; W1262-W1289 AromaticContact CZ3-NE1 3.2Å; W1289-V1291 HydrophobicContact CD2-CG2 4.19Å; W1289-V1291 HydrophobicContact CE3-CG2 4.45Å; W1289-A1303 HydrophobicContact CH2-CB 4.32Å; W1289-A1303 HydrophobicContact CZ2-CB 3.67Å; W1289-A1303 WeakPolarHBondContact CZ2-O 3.37Å; W1289-V1306 HydrophobicContact CH2-CB 4.23Å; W1289-V1306 HydrophobicContact CH2-CG1 3.95Å; W1289-V1306 HydrophobicContact CZ3-CG1 4.08Å
1290L91.7Very high87.6Confident0 Ų034.5 Ų34.50%020%0.2CC..EExtended strand (participates in β ladder)trans-100.2137.8173.9-60.3167.8000110.2V1199 S1200 I1220 P1223 L1247 R1248 L1249 V1278V1199-L1290 CarbonylContact C-O 3.57Å; V1199-L1290 VanDerWaalsContact CA-O 3.29Å; V1199-L1290 WeakPolarHBondContact CA-O 3.47Å; S1200-L1290 PolarHBondContact N-O 2.99Å; S1200-L1290 PolarHBondContact OG-N 2.88Å; I1220-L1290 HydrophobicContact CB-CD1 4.47Å; I1220-L1290 HydrophobicContact CG2-CD1 4.34Å; P1223-L1290 HydrophobicContact CG-CB 3.95Å; L1247-L1290 HydrophobicContact CD1-CB 4.4Å; R1248-L1290 CarbonylContact O-C 3.56Å; R1248-L1290 VanDerWaalsContact O-CA 3.31Å; R1248-L1290 WeakPolarHBondContact O-CA 3.47Å; L1249-L1290 HydrophobicContact CB-CD2 4.08Å; L1249-L1290 HydrophobicContact CD1-CD2 3.87Å; V1278-L1290 HydrophobicContact CB-CD1 3.95Å; V1278-L1290 HydrophobicContact CG2-CD1 3.74Å
1291V90.5Very high87.4Confident4 Ų440.4 Ų40.42%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-128126.9174.5-178.40000108.6V1197 V1199 R1248 L1250 W1289 C1293 V1299 A1303V1197-V1291 HydrophobicContact CG1-CG1 4.28Å; V1199-V1291 HydrophobicContact CG1-CG1 4.31Å; V1199-V1291 HydrophobicContact CG1-CG2 4.11Å; R1248-V1291 PolarHBondContact N-O 3.34Å; R1248-V1291 PolarHBondContact O-N 2.86Å; L1250-V1291 HydrophobicContact CD1-CG2 3.82Å; L1250-V1291 HydrophobicContact CG-CG2 4.34Å; W1289-V1291 HydrophobicContact CD2-CG2 4.19Å; W1289-V1291 HydrophobicContact CE3-CG2 4.45Å; V1291-C1293 HydrophobicContact CG1-CB 4.13Å; V1291-V1299 HydrophobicContact CB-CG2 4.14Å; V1291-V1299 HydrophobicContact CG1-CG2 3.78Å; V1291-A1303 HydrophobicContact CG2-CB 4.42Å
1292D86.5Confident87.1Confident14 Ų1438.6 Ų38.68%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-101106.4171.2-176.824.2000108.2V1197 S1198 P1223 A1226 S1246 L1247V1197-D1292 WeakPolarHBondContact CA-O 3.38Å; S1198-D1292 PolarHBondContact N-O 3.43Å; S1198-D1292 VanDerWaalsContact N-O 3.17Å; S1198-D1292 PolarHBondContact O-N 3.41Å; P1223-D1292 HydrophobicContact CB-CB 4.11Å; P1223-D1292 HydrophobicContact CG-CB 4.36Å; A1226-D1292 PolarHBondContact N-OD2 3.39Å; S1246-D1292 VanDerWaalsContact CB-OD1 3.26Å; S1246-D1292 WeakPolarHBondContact CB-OD1 3.42Å; S1246-D1292 PolarHBondContact OG-OD1 2.86Å; L1247-D1292 HydrophobicContact CD1-CB 4.17Å
1293C82.8Confident87Confident4 Ų437.9 Ų37.93%0.02721%0.211CC..  trans-137.6126.4-174.5-170.10000111.8V1197 S1246 V1291 N1295 V1299V1197-C1293 HydrophobicContact CG1-CB 4.39Å; S1246-C1293 WeakPolarHBondContact CA-O 3.4Å; S1246-C1293 WeakPolarHBondContact CB-O 3.35Å; S1246-C1293 PolarHBondContact O-N 3.17Å; V1291-C1293 HydrophobicContact CG1-CB 4.13Å; C1293-N1295 PolarHBondContact O-N 2.93Å; C1293-N1295 PolarHBondContact SG-N 2.75Å; C1293-V1299 HydrophobicContact CB-CG2 4.03Å
1294P79.6Confident86.9Confident90 Ų9036.1 Ų36.158%0.58420%0.201SC*.SBendtrans-63.7-25.9173.5-24.534.6000114.2R1196R1196-P1294 WeakPolarHBondContact O-CD 3.42Å
1295N80.3Confident86.8Confident55 Ų5539.8 Ų39.829%0.29421%0.211SC..  trans-101.381.5-178.7-166.8-8.4000111.1C1293 T1297 E1298 V1299C1293-N1295 PolarHBondContact O-N 2.93Å; C1293-N1295 PolarHBondContact SG-N 2.75Å; N1295-T1297 PolarHBondContact O-N 3.19Å; N1295-T1297 PolarHBondContact OD1-OG1 2.7Å; N1295-E1298 PolarHBondContact ND2-OE1 3.15Å; N1295-E1298 PolarHBondContact ND2-OE2 2.96Å; N1295-E1298 PolarHBondContact O-N 3.05Å; N1295-V1299 PolarHBondContact O-N 2.77Å
1296I81Confident86.8Confident73 Ų7339.8 Ų39.837%0.37421%0.211SC..G310 helixtrans-56.1-35.5-176.6-59.7159000111.8P1245 E1298 V1299P1245-I1296 WeakPolarHBondContact O-CD1 3.37Å; I1296-E1298 VanDerWaalsContact C-N 3.33Å; I1296-E1298 PolarHBondContact O-N 3.02Å; I1296-V1299 WeakPolarHBondContact O-CG1 3.46Å; I1296-V1299 PolarHBondContact O-N 3.48Å
1297T82.2Confident86.8Confident131 Ų13139.9 Ų39.980%0.80421%0.211SC*.G310 helixtrans-66.7-27.8-176.4160000114.5N1295N1295-T1297 PolarHBondContact O-N 3.19Å; N1295-T1297 PolarHBondContact OD1-OG1 2.7Å
1298E82.1Confident86.5Confident91 Ų9145.3 Ų45.343%0.42524%0.237SC..G310 helixtrans-103.7-2.8-177.5-73.5161.2-141.700112.9N1295 I1296 V1300 E1301 L1302N1295-E1298 PolarHBondContact ND2-OE1 3.15Å; N1295-E1298 PolarHBondContact ND2-OE2 2.96Å; N1295-E1298 PolarHBondContact O-N 3.05Å; I1296-E1298 VanDerWaalsContact C-N 3.33Å; I1296-E1298 PolarHBondContact O-N 3.02Å; E1298-V1300 PolarHBondContact O-N 3.2Å; E1298-E1301 PolarHBondContact O-N 3.32Å; E1298-L1302 HydrophobicContact CB-CD1 3.97Å; E1298-L1302 HydrophobicContact CB-CG 4.01Å; E1298-L1302 WeakPolarHBondContact O-CG 3.26Å; E1298-L1302 PolarHBondContact O-N 2.89Å
1299V87.1Confident86Confident5 Ų549.1 Ų49.13%0.0325%0.254CS..Hα-helixtrans-55-35.8-166.6740000113.8R1248 L1250 V1291 C1293 N1295 I1296 A1303R1248-V1299 HydrophobicContact CB-CG2 4.33Å; R1248-V1299 HydrophobicContact CG-CG1 4.38Å; R1248-V1299 HydrophobicContact CG-CG2 4.2Å; L1250-V1299 HydrophobicContact CD2-CG1 4.41Å; V1291-V1299 HydrophobicContact CB-CG2 4.14Å; V1291-V1299 HydrophobicContact CG1-CG2 3.78Å; C1293-V1299 HydrophobicContact CB-CG2 4.03Å; N1295-V1299 PolarHBondContact O-N 2.77Å; I1296-V1299 WeakPolarHBondContact O-CG1 3.46Å; I1296-V1299 PolarHBondContact O-N 3.48Å; V1299-A1303 WeakPolarHBondContact O-CB 3.49Å; V1299-A1303 PolarHBondContact O-N 2.98Å
1300V88.1Confident85.6Confident55 Ų5549.6 Ų49.633%0.33326%0.258SS..Hα-helixtrans-68.3-38.8178.1171.90000112.1L1250 W1262 E1298 S1304L1250-V1300 HydrophobicContact CD2-CG2 4.47Å; W1262-V1300 HydrophobicContact CB-CG1 4.26Å; W1262-V1300 WeakPolarHBondContact O-CG1 3.44Å; E1298-V1300 PolarHBondContact O-N 3.2Å; V1300-S1304 WeakPolarHBondContact O-CB 3.47Å; V1300-S1304 PolarHBondContact O-N 2.93Å; V1300-S1304 PolarHBondContact O-OG 2.96Å
1301E85.8Confident85.4Confident127 Ų12750.5 Ų50.559%0.59326%0.263SS*.Hα-helixtrans-74.8-45.2180-171.2-178.1147.900111.1E1298 A1303 S1304 R1305E1298-E1301 PolarHBondContact O-N 3.32Å; E1301-A1303 VanDerWaalsContact C-N 3.35Å; E1301-A1303 PolarHBondContact O-N 2.52Å; E1301-S1304 WeakPolarHBondContact O-CB 3.5Å; E1301-S1304 PolarHBondContact O-N 3.05Å; E1301-S1304 VanDerWaalsContact O-N 3.16Å; E1301-R1305 PolarHBondContact O-N 2.93Å
1302L84.9Confident85.1Confident23 Ų2351.3 Ų51.312%0.1227%0.269CS..Hα-helixtrans-63.4-41.6177.3-56.4-179.7000111.4L1193 E1298 R1305 V1306L1193-L1302 HydrophobicContact CD1-CB 4.01Å; L1193-L1302 HydrophobicContact CD2-CB 4.05Å; L1193-L1302 HydrophobicContact CD2-CD2 3.85Å; L1193-L1302 HydrophobicContact CD2-CG 4.35Å; E1298-L1302 HydrophobicContact CB-CD1 3.97Å; E1298-L1302 HydrophobicContact CB-CG 4.01Å; E1298-L1302 WeakPolarHBondContact O-CG 3.26Å; E1298-L1302 PolarHBondContact O-N 2.89Å; L1302-R1305 PolarHBondContact O-N 2.93Å; L1302-V1306 PolarHBondContact O-N 2.82Å; L1302-V1306 VanDerWaalsContact O-N 3.11Å
1303A86.4Confident85.2Confident3 Ų351.1 Ų51.13%0.02527%0.269CS..Hα-helixtrans-64-39.7172.600000112.2L1250 W1289 V1291 V1299 E1301 R1305 V1306 Y1307L1250-A1303 HydrophobicContact CD1-CB 3.35Å; W1289-A1303 HydrophobicContact CH2-CB 4.32Å; W1289-A1303 HydrophobicContact CZ2-CB 3.67Å; W1289-A1303 WeakPolarHBondContact CZ2-O 3.37Å; V1291-A1303 HydrophobicContact CG2-CB 4.42Å; V1299-A1303 WeakPolarHBondContact O-CB 3.49Å; V1299-A1303 PolarHBondContact O-N 2.98Å; E1301-A1303 VanDerWaalsContact C-N 3.35Å; E1301-A1303 PolarHBondContact O-N 2.52Å; A1303-R1305 VanDerWaalsContact C-N 3.34Å; A1303-R1305 PolarHBondContact O-N 2.84Å; A1303-V1306 PolarHBondContact O-N 2.9Å; A1303-Y1307 VanDerWaalsContact O-CB 3.23Å; A1303-Y1307 WeakPolarHBondContact O-CB 3.43Å; A1303-Y1307 PolarHBondContact O-N 2.85Å
1304S88.4Confident85.5Confident33 Ų3351.6 Ų51.623%0.23127%0.272CS..Hα-helixtrans-61.7-40.4175.9-62.10000112V1300 E1301 Y1307 H1308V1300-S1304 WeakPolarHBondContact O-CB 3.47Å; V1300-S1304 PolarHBondContact O-N 2.93Å; V1300-S1304 PolarHBondContact O-OG 2.96Å; E1301-S1304 WeakPolarHBondContact O-CB 3.5Å; E1301-S1304 PolarHBondContact O-N 3.05Å; E1301-S1304 VanDerWaalsContact O-N 3.16Å; S1304-Y1307 PolarHBondContact O-N 2.84Å; S1304-H1308 PolarHBondContact O-N 2.74Å; S1304-H1308 PolarHBondContact O-ND1 3.41Å
1305R85.8Confident86Confident117 Ų11747.6 Ų47.644%0.44225%0.245SC..Hα-helixtrans-64.7-50.9175.7-75.1174.454.6-152.8-11.1112.6E1301 L1302 A1303 Y1307 H1308 E1309E1301-R1305 PolarHBondContact O-N 2.93Å; L1302-R1305 PolarHBondContact O-N 2.93Å; A1303-R1305 VanDerWaalsContact C-N 3.34Å; A1303-R1305 PolarHBondContact O-N 2.84Å; R1305-Y1307 PolarHBondContact O-N 2.93Å; R1305-H1308 PolarHBondContact O-N 2.7Å; R1305-E1309 PolarHBondContact O-N 2.94Å
1306V88.6Confident86.4Confident1 Ų146.6 Ų46.61%0.00624%0.239CC..Hα-helixtrans-59.5-37.7177169.30000111.1V1184 V1189 M1192 L1193 W1289 L1302 A1303 S1310V1184-V1306 HydrophobicContact CG1-CG1 3.93Å; V1189-V1306 HydrophobicContact CG2-CG1 3.86Å; V1189-V1306 HydrophobicContact CG2-CG2 4.49Å; M1192-V1306 HydrophobicContact SD-CG2 4.19Å; L1193-V1306 HydrophobicContact CD1-CG2 3.56Å; L1193-V1306 HydrophobicContact CG-CG2 4.02Å; W1289-V1306 HydrophobicContact CH2-CB 4.23Å; W1289-V1306 HydrophobicContact CH2-CG1 3.95Å; W1289-V1306 HydrophobicContact CZ3-CG1 4.08Å; L1302-V1306 PolarHBondContact O-N 2.82Å; L1302-V1306 VanDerWaalsContact O-N 3.11Å; A1303-V1306 PolarHBondContact O-N 2.9Å; V1306-S1310 VanDerWaalsContact O-CB 3.25Å; V1306-S1310 WeakPolarHBondContact O-CB 3.28Å; V1306-S1310 PolarHBondContact O-N 2.98Å; V1306-S1310 PolarHBondContact O-OG 3.27Å
1307Y89.6Confident86.6Confident4 Ų443.1 Ų43.12%0.01622%0.221CC..Hα-helixtrans-61.8-53.4179.3179.8-122.5000112.4I1202 A1260 W1262 R1287 A1303 S1304 R1305 E1309 S1310 L1311I1202-Y1307 HydrophobicContact CD1-CD2 3.47Å; I1202-Y1307 VanDerWaalsContact CD1-CD2 3.47Å; I1202-Y1307 HydrophobicContact CD1-CE2 3.9Å; A1260-Y1307 HydrophobicContact CB-CD1 4.06Å; A1260-Y1307 HydrophobicContact CB-CE1 3.34Å; W1262-Y1307 HydrophobicContact CZ2-CD1 4.02Å; W1262-Y1307 AromaticContact CZ2-CD2 3.76Å; W1262-Y1307 HydrophobicContact CZ2-CD2 3.76Å; W1262-Y1307 HydrophobicContact CZ2-CE1 4.26Å; W1262-Y1307 HydrophobicContact CZ2-CE2 4.02Å; W1262-Y1307 AromaticContact CZ2-CG 3.74Å; W1262-Y1307 HydrophobicContact CZ2-CG 3.74Å; W1262-Y1307 AromaticContact NE1-CD1 3.68Å; W1262-Y1307 AromaticContact NE1-CG 3.83Å; R1287-Y1307 WeakPolarHBondContact CD-OH 3.46Å; R1287-Y1307 PolarHBondContact NE-OH 2.81Å; R1287-Y1307 PolarHBondContact NH1-OH 2.87Å; A1303-Y1307 VanDerWaalsContact O-CB 3.23Å; A1303-Y1307 WeakPolarHBondContact O-CB 3.43Å; A1303-Y1307 PolarHBondContact O-N 2.85Å; S1304-Y1307 PolarHBondContact O-N 2.84Å; R1305-Y1307 PolarHBondContact O-N 2.93Å; Y1307-E1309 PolarHBondContact O-N 2.9Å; Y1307-S1310 PolarHBondContact O-N 3.06Å; Y1307-S1310 PolarHBondContact O-OG 3.04Å; Y1307-L1311 HydrophobicContact CD1-CD1 4.33Å; Y1307-L1311 HydrophobicContact CD2-CD1 4.46Å; Y1307-L1311 HydrophobicContact CD2-CG 4.3Å; Y1307-L1311 HydrophobicContact CE1-CD1 3.73Å; Y1307-L1311 HydrophobicContact CE2-CD1 3.89Å; Y1307-L1311 HydrophobicContact CE2-CD2 3.91Å; Y1307-L1311 HydrophobicContact CE2-CG 3.89Å; Y1307-L1311 WeakPolarHBondContact O-CG 3.39Å; Y1307-L1311 PolarHBondContact O-N 2.93Å
1308H86.1Confident86.9Confident122 Ų12239 Ų3957%0.56519%0.193SC*.Hα-helixtrans-59.3-47-179.2-7480.2000111.8S1304 R1305 S1310 L1311S1304-H1308 PolarHBondContact O-N 2.74Å; S1304-H1308 PolarHBondContact O-ND1 3.41Å; R1305-H1308 PolarHBondContact O-N 2.7Å; H1308-S1310 VanDerWaalsContact C-N 3.28Å; H1308-S1310 PolarHBondContact O-N 2.81Å; H1308-L1311 PolarHBondContact O-N 3.09Å
1309E84.1Confident87.3Confident79 Ų7934.7 Ų34.737%0.36917%0.173SC..Hα-helixtrans-64.3-35.1179.3-157.4121.2134.900112.2L1188 M1192 R1305 Y1307 L1311L1188-E1309 HydrophobicContact CD1-CB 4.34Å; L1188-E1309 HydrophobicContact CD1-CG 3.94Å; M1192-E1309 HydrophobicContact CE-CB 3.78Å; M1192-E1309 HydrophobicContact CE-CG 4.12Å; M1192-E1309 HydrophobicContact SD-CB 3.87Å; M1192-E1309 HydrophobicContact SD-CG 4.24Å; R1305-E1309 PolarHBondContact O-N 2.94Å; Y1307-E1309 PolarHBondContact O-N 2.9Å; E1309-L1311 VanDerWaalsContact C-N 3.26Å; E1309-L1311 PolarHBondContact O-N 3.36Å
1310S86Confident87.5Confident10 Ų1034.5 Ų34.57%0.0717%0.172CC..Hα-helixtrans-71.2-15.9178.678.90000114.4H1182 V1306 Y1307 H1308H1182-S1310 PolarHBondContact CE1-O 2.88Å; H1182-S1310 WeakPolarHBondContact NE2-CA 3.33Å; H1182-S1310 WeakPolarHBondContact NE2-CB 3.32Å; H1182-S1310 PolarHBondContact NE2-O 2.92Å; H1182-S1310 PolarHBondContact NE2-OG 2.82Å; V1306-S1310 VanDerWaalsContact O-CB 3.25Å; V1306-S1310 WeakPolarHBondContact O-CB 3.28Å; V1306-S1310 PolarHBondContact O-N 2.98Å; V1306-S1310 PolarHBondContact O-OG 3.27Å; Y1307-S1310 PolarHBondContact O-N 3.06Å; Y1307-S1310 PolarHBondContact O-OG 3.04Å; H1308-S1310 VanDerWaalsContact C-N 3.28Å; H1308-S1310 PolarHBondContact O-N 2.81Å
1311L87.2Confident87.6Confident20 Ų2031.9 Ų31.911%0.10516%0.156CC..THydrogen-bonded Turntrans-88.1-9.1-178.6-75.6-179000114.3D1038 I1140 Y1307 H1308 E1309 V1313D1038-L1311 HydrophobicContact CB-CD1 3.91Å; I1140-L1311 HydrophobicContact CD1-CD2 3.92Å; Y1307-L1311 HydrophobicContact CD1-CD1 4.33Å; Y1307-L1311 HydrophobicContact CD2-CD1 4.46Å; Y1307-L1311 HydrophobicContact CD2-CG 4.3Å; Y1307-L1311 HydrophobicContact CE1-CD1 3.73Å; Y1307-L1311 HydrophobicContact CE2-CD1 3.89Å; Y1307-L1311 HydrophobicContact CE2-CD2 3.91Å; Y1307-L1311 HydrophobicContact CE2-CG 3.89Å; Y1307-L1311 WeakPolarHBondContact O-CG 3.39Å; Y1307-L1311 PolarHBondContact O-N 2.93Å; H1308-L1311 PolarHBondContact O-N 3.09Å; E1309-L1311 VanDerWaalsContact C-N 3.26Å; E1309-L1311 PolarHBondContact O-N 3.36Å; L1311-V1313 PolarHBondContact O-N 2.94Å
1312A85.1Confident87.8Confident20 Ų2025.8 Ų25.817%0.16513%0.127CC..PPolyproline II helixtrans-50.4126.2-176.200000111.6P1314 L1365 H1368A1312-P1314 WeakPolarHBondContact O-CD 3.26Å; A1312-L1365 HydrophobicContact CB-CB 4.22Å; A1312-L1365 HydrophobicContact CB-CD1 4.38Å; A1312-L1365 HydrophobicContact CB-CD2 4.28Å; A1312-H1368 WeakPolarHBondContact CB-CE1 3.47Å
1313V88.3Confident88Confident10 Ų1024.7 Ų24.76%0.06112%0.122CC..PPolyproline II helixtrans-75.4126.3-173.7-177.40000109.2T1138 L1311 Y1315 D1366T1138-V1313 HydrophobicContact CG2-CG1 3.64Å; L1311-V1313 PolarHBondContact O-N 2.94Å; V1313-Y1315 HydrophobicContact CB-CD2 4.49Å; V1313-Y1315 HydrophobicContact CB-CE2 3.68Å; V1313-Y1315 HydrophobicContact CG1-CD2 4.23Å; V1313-Y1315 HydrophobicContact CG1-CE1 4.29Å; V1313-Y1315 HydrophobicContact CG1-CE2 3.47Å; V1313-Y1315 VanDerWaalsContact CG1-CE2 3.47Å; V1313-Y1315 VanDerWaalsContact O-CD2 3.29Å; V1313-Y1315 WeakPolarHBondContact O-CD2 3.22Å; V1313-D1366 HydrophobicContact CB-CB 4.33Å; V1313-D1366 PolarHBondContact O-N 3.39Å
1314P89Confident87.9Confident14 Ų1425.9 Ų25.99%0.09113%0.126CC..EExtended strand (participates in β ladder)trans-90.3133.5-17936.3-34.7000111.4F1069 A1312 E1363 L1365F1069-P1314 HydrophobicContact CB-CB 4.03Å; F1069-P1314 HydrophobicContact CB-CG 4.4Å; F1069-P1314 WeakPolarHBondContact CB-O 3.32Å; F1069-P1314 HydrophobicContact CD1-CB 4.18Å; F1069-P1314 PolarHBondContact N-O 2.79Å; A1312-P1314 WeakPolarHBondContact O-CD 3.26Å; P1314-E1363 HydrophobicContact CB-CG 4.44Å; P1314-L1365 HydrophobicContact CB-CD2 3.86Å
1315Y89.8Confident87.7Confident7 Ų725.8 Ų25.83%0.02712%0.12CC..EExtended strand (participates in β ladder)trans-125.2159.4-178.3-66.9-84.1000112.2L1042 Y1067 V1313 E1363 V1364 D1366 A1394 F1395L1042-Y1315 VanDerWaalsContact O-CE1 3.25Å; L1042-Y1315 WeakPolarHBondContact O-CE1 3.19Å; L1042-Y1315 PolarHBondContact O-OH 3.23Å; Y1067-Y1315 CarbonylContact O-C 3.58Å; Y1067-Y1315 WeakPolarHBondContact O-CA 3.17Å; V1313-Y1315 HydrophobicContact CB-CD2 4.49Å; V1313-Y1315 HydrophobicContact CB-CE2 3.68Å; V1313-Y1315 HydrophobicContact CG1-CD2 4.23Å; V1313-Y1315 HydrophobicContact CG1-CE1 4.29Å; V1313-Y1315 HydrophobicContact CG1-CE2 3.47Å; V1313-Y1315 VanDerWaalsContact CG1-CE2 3.47Å; V1313-Y1315 VanDerWaalsContact O-CD2 3.29Å; V1313-Y1315 WeakPolarHBondContact O-CD2 3.22Å; Y1315-E1363 WeakPolarHBondContact O-CA 3.47Å; Y1315-V1364 PolarHBondContact N-O 3.13Å; Y1315-V1364 PolarHBondContact O-N 3.28Å; Y1315-D1366 HydrophobicContact CD2-CB 4.33Å; Y1315-D1366 HydrophobicContact CE2-CB 3.84Å; Y1315-D1366 VanDerWaalsContact CE2-OD2 3.26Å; Y1315-D1366 WeakPolarHBondContact CE2-OD2 3.38Å; Y1315-D1366 PolarHBondContact OH-OD2 3.15Å; Y1315-A1394 HydrophobicContact CD1-CB 4.02Å; Y1315-A1394 HydrophobicContact CD2-CB 3.84Å; Y1315-A1394 HydrophobicContact CE1-CB 3.67Å; Y1315-A1394 HydrophobicContact CE2-CB 3.46Å; Y1315-A1394 VanDerWaalsContact CE2-CB 3.46Å; Y1315-A1394 HydrophobicContact CG-CB 4.09Å; Y1315-F1395 HydrophobicContact CD1-CZ 4.22Å; Y1315-F1395 AromaticContact CE1-CE2 3.77Å; Y1315-F1395 HydrophobicContact CE1-CE2 3.77Å; Y1315-F1395 AromaticContact CE1-CZ 3.68Å; Y1315-F1395 HydrophobicContact CE1-CZ 3.68Å
1316I88Confident87Confident33 Ų3321.2 Ų21.217%0.16910%0.103CC..EExtended strand (participates in β ladder)trans-84.4109.9170.1-56.6171.5000106.9Y1067 F1069 S1121 C1361Y1067-I1316 PolarHBondContact O-N 3.41Å; F1069-I1316 HydrophobicContact CB-CG1 4.31Å; F1069-I1316 HydrophobicContact CD2-CG1 4.18Å; S1121-I1316 WeakPolarHBondContact OG-CD1 3.34Å; I1316-C1361 HydrophobicContact CG2-CB 3.82Å
1317G86.6Confident86.6Confident0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-117.9133.2177.400000111.9I1362G1317-I1362 PolarHBondContact N-O 3.06Å; G1317-I1362 PolarHBondContact O-N 3.03Å
1318Q88.6Confident85.9Confident46 Ų4626.4 Ų26.422%0.21513%0.133CC..EExtended strand (participates in β ladder)trans-104.8118.4172.8-170.517037.100110.3V1320 C1337 L1338 N1358 G1359Q1318-V1320 HydrophobicContact CG-CG2 4.03Å; Q1318-V1320 PolarHBondContact O-N 2.8Å; Q1318-C1337 CarbonylContact O-C 3.53Å; Q1318-C1337 WeakPolarHBondContact O-CA 3.05Å; Q1318-L1338 PolarHBondContact N-O 3.23Å; Q1318-L1338 PolarHBondContact O-N 3.17Å; Q1318-N1358 VanDerWaalsContact CD-OD1 3.24Å; Q1318-N1358 PolarHBondContact NE2-OD1 3.15Å; Q1318-N1358 VanDerWaalsContact NE2-OD1 3.09Å; Q1318-G1359 WeakPolarHBondContact CG-O 3.33Å; Q1318-G1359 PolarHBondContact NE2-O 2.88Å
1319F90.8Very high85.6Confident0 Ų022.9 Ų22.90%012%0.117CC..EExtended strand (participates in β ladder)trans-80.1116.1176.1-75.2-95.5000110.2L1336 C1337 G1359 I1362 V1364 H1370 L1390 F1419 T1438 L1440F1319-L1336 CarbonylContact C-O 3.58Å; F1319-L1336 WeakPolarHBondContact CA-O 3.31Å; F1319-C1337 HydrophobicContact CD1-CB 4.31Å; F1319-C1337 HydrophobicContact CE1-CB 4.08Å; F1319-C1337 VanDerWaalsContact CE2-SG 3.59Å; F1319-C1337 HydrophobicContact CZ-CB 4.18Å; F1319-G1359 WeakPolarHBondContact O-CA 3.45Å; F1319-G1359 PolarHBondContact O-N 3.48Å; F1319-I1362 HydrophobicContact CD2-CD1 3.79Å; F1319-I1362 HydrophobicContact CD2-CG1 3.94Å; F1319-I1362 HydrophobicContact CE2-CD1 3.62Å; F1319-I1362 HydrophobicContact CE2-CG1 3.92Å; F1319-V1364 HydrophobicContact CE2-CG2 3.74Å; F1319-V1364 HydrophobicContact CZ-CG2 4.31Å; F1319-H1370 HydrophobicContact CZ-CB 4.43Å; F1319-L1390 HydrophobicContact CD1-CD2 4.34Å; F1319-L1390 HydrophobicContact CE1-CD2 3.71Å; F1319-F1419 HydrophobicContact CB-CE2 4.4Å; F1319-F1419 HydrophobicContact CB-CZ 4.49Å; F1319-F1419 AromaticContact CD1-CD1 3.35Å; F1319-F1419 HydrophobicContact CD1-CD1 3.35Å; F1319-F1419 HydrophobicContact CD1-CD2 4.23Å; F1319-F1419 AromaticContact CD1-CE1 3.38Å; F1319-F1419 HydrophobicContact CD1-CE1 3.38Å; F1319-F1419 HydrophobicContact CD1-CE2 4.27Å; F1319-F1419 AromaticContact CD1-CG 3.79Å; F1319-F1419 HydrophobicContact CD1-CG 3.79Å; F1319-F1419 AromaticContact CD1-CZ 3.86Å; F1319-F1419 HydrophobicContact CD1-CZ 3.86Å; F1319-F1419 HydrophobicContact CE1-CB 4.41Å; F1319-F1419 AromaticContact CE1-CD1 3.39Å; F1319-F1419 HydrophobicContact CE1-CD1 3.39Å; F1319-F1419 AromaticContact CE1-CE1 3.78Å; F1319-F1419 HydrophobicContact CE1-CE1 3.78Å; F1319-F1419 AromaticContact CE1-CG 3.99Å; F1319-F1419 HydrophobicContact CE1-CG 3.99Å; F1319-F1419 HydrophobicContact CG-CD1 4.31Å; F1319-F1419 HydrophobicContact CG-CD2 4.5Å; F1319-F1419 HydrophobicContact CG-CE1 4.41Å; F1319-F1419 HydrophobicContact CG-CG 4.35Å; F1319-F1419 HydrophobicContact CZ-CD1 4.4Å; F1319-T1438 HydrophobicContact CB-CG2 4.11Å; F1319-T1438 HydrophobicContact CD2-CG2 4.14Å; F1319-T1438 HydrophobicContact CG-CG2 4.17Å; F1319-L1440 HydrophobicContact CB-CD1 4.06Å; F1319-L1440 WeakPolarHBondContact O-CD1 3.21Å
1320V90Very high85.5Confident0 Ų019.5 Ų19.50%010%0.101CC..EExtended strand (participates in β ladder)trans-121.9135.2-176-168.40000109.5Q1318 Y1322 C1335 L1336 L1338 A1343 L1355Q1318-V1320 HydrophobicContact CG-CG2 4.03Å; Q1318-V1320 PolarHBondContact O-N 2.8Å; V1320-Y1322 HydrophobicContact CB-CE2 4.02Å; V1320-Y1322 HydrophobicContact CG1-CD2 4.13Å; V1320-Y1322 HydrophobicContact CG1-CE1 4.43Å; V1320-Y1322 HydrophobicContact CG1-CE2 3.43Å; V1320-Y1322 VanDerWaalsContact CG1-CE2 3.43Å; V1320-C1335 WeakPolarHBondContact O-CA 3.36Å; V1320-L1336 PolarHBondContact N-O 3.03Å; V1320-L1336 PolarHBondContact O-N 2.83Å; V1320-L1338 HydrophobicContact CB-CD1 4.45Å; V1320-L1338 HydrophobicContact CG2-CD1 3.68Å; V1320-L1338 HydrophobicContact CG2-CG 3.89Å; V1320-A1343 HydrophobicContact CG1-CB 4.12Å; V1320-A1343 HydrophobicContact CG2-CB 4.29Å; V1320-L1355 HydrophobicContact CG1-CD1 3.32Å
1321V90.4Very high85.4Confident0 Ų019 Ų190%010%0.098CC..EExtended strand (participates in β ladder)trans-122111.7-178.3-173.10000109.3L1333 R1334 I1356 A1357 L1417 L1440V1321-L1333 HydrophobicContact CG1-CB 4.15Å; V1321-L1333 HydrophobicContact CG1-CD1 4.04Å; V1321-L1333 HydrophobicContact CG1-CD2 4.2Å; V1321-L1333 HydrophobicContact CG1-CG 4.37Å; V1321-R1334 WeakPolarHBondContact CA-O 3.36Å; V1321-I1356 HydrophobicContact CB-CG1 4.44Å; V1321-I1356 HydrophobicContact CG1-CD1 4.23Å; V1321-I1356 HydrophobicContact CG1-CG1 4.09Å; V1321-I1356 VanDerWaalsContact O-CG1 3.28Å; V1321-I1356 WeakPolarHBondContact O-CG1 3.32Å; V1321-I1356 PolarHBondContact O-N 2.94Å; V1321-A1357 HydrophobicContact CB-CB 4.15Å; V1321-A1357 HydrophobicContact CG2-CB 4.46Å; V1321-A1357 PolarHBondContact N-O 2.88Å; V1321-A1357 PolarHBondContact O-N 3.45Å; V1321-A1357 VanDerWaalsContact O-N 3.16Å; V1321-L1417 HydrophobicContact CG1-CD1 4.01Å; V1321-L1417 HydrophobicContact CG2-CD1 4Å; V1321-L1440 HydrophobicContact CG2-CD1 3.78Å
1322Y90.5Very high85.4Confident0 Ų020.1 Ų20.10%010%0.102CC..EExtended strand (participates in β ladder)trans-96.5141.7169.6-55.2-96.6000108.9V1320 L1333 R1334 L1336 A1343 T1346 E1348 L1349 Q1354 L1355V1320-Y1322 HydrophobicContact CB-CE2 4.02Å; V1320-Y1322 HydrophobicContact CG1-CD2 4.13Å; V1320-Y1322 HydrophobicContact CG1-CE1 4.43Å; V1320-Y1322 HydrophobicContact CG1-CE2 3.43Å; V1320-Y1322 VanDerWaalsContact CG1-CE2 3.43Å; Y1322-L1333 CarbonylContact O-C 3.52Å; Y1322-L1333 VanDerWaalsContact O-CA 3.27Å; Y1322-L1333 WeakPolarHBondContact O-CA 3.39Å; Y1322-R1334 PolarHBondContact N-O 3.33Å; Y1322-R1334 PolarHBondContact O-N 2.86Å; Y1322-L1336 HydrophobicContact CD2-CD1 3.91Å; Y1322-L1336 HydrophobicContact CE2-CD1 4.09Å; Y1322-A1343 VanDerWaalsContact OH-CA 3.28Å; Y1322-A1343 WeakPolarHBondContact OH-CA 3.33Å; Y1322-A1343 PolarHBondContact OH-O 3.4Å; Y1322-T1346 HydrophobicContact CE2-CG2 4.32Å; Y1322-T1346 VanDerWaalsContact CZ-OG1 3.23Å; Y1322-T1346 WeakPolarHBondContact OH-CG2 3.26Å; Y1322-T1346 PolarHBondContact OH-OG1 3.08Å; Y1322-E1348 HydrophobicContact CD1-CB 3.83Å; Y1322-E1348 HydrophobicContact CD2-CB 3.76Å; Y1322-E1348 HydrophobicContact CD2-CG 3.58Å; Y1322-E1348 HydrophobicContact CE1-CB 4.13Å; Y1322-E1348 HydrophobicContact CE2-CB 4.05Å; Y1322-E1348 HydrophobicContact CE2-CG 4.04Å; Y1322-E1348 HydrophobicContact CG-CB 3.64Å; Y1322-E1348 HydrophobicContact CG-CG 3.86Å; Y1322-L1349 HydrophobicContact CD1-CG 4.44Å; Y1322-L1349 HydrophobicContact CE1-CD1 4.22Å; Y1322-L1349 HydrophobicContact CE1-CG 3.96Å; Y1322-Q1354 CarbonylContact C-O 3.58Å; Y1322-Q1354 VanDerWaalsContact CA-O 3.26Å; Y1322-Q1354 WeakPolarHBondContact CA-O 3.36Å; Y1322-L1355 HydrophobicContact CD1-CB 3.99Å; Y1322-L1355 HydrophobicContact CD1-CD1 4.23Å; Y1322-L1355 HydrophobicContact CE1-CB 4Å; Y1322-L1355 HydrophobicContact CE1-CD1 4.02Å
1323A89Confident85.6Confident0 Ų019.1 Ų19.10%09%0.094CC..EExtended strand (participates in β ladder)trans-121.4142.6173.500000111.3Q1332 L1333 Q1354 I1356 L1444 P1445A1323-Q1332 CarbonylContact C-O 3.4Å; A1323-Q1332 WeakPolarHBondContact CA-O 3.24Å; A1323-L1333 HydrophobicContact CB-CD2 3.49Å; A1323-L1333 VanDerWaalsContact CB-CD2 3.49Å; A1323-Q1354 PolarHBondContact N-O 2.98Å; A1323-Q1354 PolarHBondContact O-N 2.78Å; A1323-I1356 HydrophobicContact CB-CB 4.32Å; A1323-I1356 HydrophobicContact CB-CD1 3.59Å; A1323-I1356 HydrophobicContact CB-CG1 3.73Å; A1323-I1356 HydrophobicContact CB-CG2 3.67Å; A1323-L1444 HydrophobicContact CB-CD2 4.06Å; A1323-P1445 HydrophobicContact CB-CG 4.43Å
1324R84.4Confident85.6Confident28 Ų2819.9 Ų19.911%0.10610%0.096CC..EExtended strand (participates in β ladder)trans-122.6110163-173.6169.9177.2155.51.2108.3A1331 Q1332 E1351 F1353 T1449 D1450R1324-A1331 WeakPolarHBondContact O-CA 3.42Å; R1324-Q1332 PolarHBondContact N-O 2.92Å; R1324-Q1332 PolarHBondContact O-N 3.03Å; R1324-E1351 PolarHBondContact NH1-O 2.83Å; R1324-F1353 HydrophobicContact CB-CD1 3.41Å; R1324-F1353 VanDerWaalsContact CB-CD1 3.41Å; R1324-F1353 HydrophobicContact CB-CD2 4.43Å; R1324-F1353 HydrophobicContact CB-CE1 3.48Å; R1324-F1353 VanDerWaalsContact CB-CE1 3.48Å; R1324-F1353 HydrophobicContact CB-CG 3.88Å; R1324-F1353 HydrophobicContact CB-CZ 4.04Å; R1324-T1449 HydrophobicContact CG-CG2 4.18Å; R1324-T1449 WeakPolarHBondContact CG-OG1 3.28Å; R1324-T1449 PolarHBondContact NE-OG1 3.4Å; R1324-T1449 PolarHBondContact NH2-O 2.92Å; R1324-D1450 PolarHBondContact NH2-O 3.5Å
1325R83Confident85.7Confident30 Ų3019.2 Ų19.211%0.1139%0.091CC..EExtended strand (participates in β ladder)trans-81.5119174.9-162.3172.5-171.5179.30.6108.6H1327 P1328 A1331 P1445 L1448 T1449R1325-H1327 VanDerWaalsContact CG-O 3.28Å; R1325-H1327 WeakPolarHBondContact CG-O 3.16Å; R1325-H1327 PolarHBondContact NE-O 3.43Å; R1325-P1328 PolarHBondContact NH2-O 3.03Å; R1325-A1331 HydrophobicContact CB-CB 4.31Å; R1325-A1331 HydrophobicContact CG-CB 4.31Å; R1325-P1445 HydrophobicContact CB-CB 4.41Å; R1325-P1445 WeakPolarHBondContact CD-O 3.22Å; R1325-P1445 PolarHBondContact NH1-O 3.13Å; R1325-L1448 HydrophobicContact CG-CD2 4.05Å; R1325-T1449 PolarHBondContact O-N 2.74Å; R1325-T1449 VanDerWaalsContact O-N 3.16Å; R1325-T1449 PolarHBondContact O-OG1 3.01Å
1326F72.7Confident85.6Confident21 Ų2119.3 Ų19.39%0.0929%0.093CC..  trans-112.6-18.3177.758.1-100.8000111.7L375 E1330 A1331 Q1332 I1403 Y1451L375-F1326 HydrophobicContact CD1-CZ 4.39Å; F1326-E1330 HydrophobicContact CD2-CB 4.46Å; F1326-E1330 HydrophobicContact CE2-CB 3.56Å; F1326-E1330 HydrophobicContact CZ-CB 3.67Å; F1326-A1331 VanDerWaalsContact CE1-C 3.49Å; F1326-Q1332 HydrophobicContact CD1-CB 4.34Å; F1326-Q1332 HydrophobicContact CE1-CB 3.97Å; F1326-Q1332 VanDerWaalsContact CE1-N 3.3Å; F1326-I1403 HydrophobicContact CZ-CG2 4.16Å; F1326-Y1451 HydrophobicContact CB-CE2 3.93Å
1327H78.6Confident85.7Confident54 Ų5417.9 Ų17.925%0.259%0.085CC..SBendtrans-139.5153.3176.3-166.7-111.7000110.6R1325 E1329 E1330R1325-H1327 VanDerWaalsContact CG-O 3.28Å; R1325-H1327 WeakPolarHBondContact CG-O 3.16Å; R1325-H1327 PolarHBondContact NE-O 3.43Å; H1327-E1329 PolarHBondContact ND1-N 3.48Å; H1327-E1329 PolarHBondContact O-N 3.18Å; H1327-E1330 HydrophobicContact CB-CB 4.04Å; H1327-E1330 PolarHBondContact N-O 3.2Å; H1327-E1330 PolarHBondContact O-N 2.96Å
1328P75.2Confident85.6Confident60 Ų6018.9 Ų18.939%0.399%0.09SC..SBendtrans-55.7-36.2174-29.137.6000113.2R1325 L1448R1325-P1328 PolarHBondContact NH2-O 3.03Å; P1328-L1448 HydrophobicContact CG-CD1 4.49Å
1329E80.3Confident85.3Confident48 Ų4816.9 Ų16.922%0.2248%0.082CC..SBendtrans-92-22175.7-69.1-178.1-141.600115.4H1327 R1405 V1406 L1409H1327-E1329 PolarHBondContact ND1-N 3.48Å; H1327-E1329 PolarHBondContact O-N 3.18Å; E1329-R1405 HydrophobicContact CB-CG 4.39Å; E1329-R1405 CarbonylContact O-C 3.27Å; E1329-R1405 VanDerWaalsContact O-CA 3.23Å; E1329-R1405 WeakPolarHBondContact O-CA 3.28Å; E1329-R1405 WeakPolarHBondContact O-CG 3.12Å; E1329-R1405 IonicContact OE2-CZ 2.75Å; E1329-R1405 IonicContact OE2-NE 3.78Å; E1329-R1405 PolarHBondContact OE2-NE 3.32Å; E1329-R1405 IonicContact OE2-NH2 3.19Å; E1329-R1405 PolarHBondContact OE2-NH2 2.87Å; E1329-V1406 PolarHBondContact O-N 2.97Å; E1329-L1409 HydrophobicContact CG-CD1 3.84Å; E1329-L1409 HydrophobicContact CG-CD2 3.9Å; E1329-L1409 HydrophobicContact CG-CG 4.09Å
1330E81.7Confident84.7Confident9 Ų917.4 Ų17.44%0.0428%0.084CC..EExtended strand (participates in β ladder)trans-128.5137.3-170.6-63.5-174179.800112.3R340 F1326 H1327 V1404 R1405R340-E1330 IonicContact CZ-OE1 3.99Å; R340-E1330 IonicContact NH1-OE1 2.72Å; R340-E1330 PolarHBondContact NH1-OE1 3.44Å; F1326-E1330 HydrophobicContact CD2-CB 4.46Å; F1326-E1330 HydrophobicContact CE2-CB 3.56Å; F1326-E1330 HydrophobicContact CZ-CB 3.67Å; H1327-E1330 HydrophobicContact CB-CB 4.04Å; H1327-E1330 PolarHBondContact N-O 3.2Å; H1327-E1330 PolarHBondContact O-N 2.96Å; E1330-V1404 WeakPolarHBondContact CA-O 3.25Å; E1330-R1405 HydrophobicContact CG-CB 4.45Å; E1330-R1405 HydrophobicContact CG-CG 4.16Å
1331A83.9Confident83.8Confident0 Ų020.1 Ų20.10%010%0.099CC..EExtended strand (participates in β ladder)trans-138.2149.1174.200000111R1324 R1325 F1326 V1404 L1444R1324-A1331 WeakPolarHBondContact O-CA 3.42Å; R1325-A1331 HydrophobicContact CB-CB 4.31Å; R1325-A1331 HydrophobicContact CG-CB 4.31Å; F1326-A1331 VanDerWaalsContact CE1-C 3.49Å; A1331-V1404 HydrophobicContact CB-CG2 4.3Å; A1331-V1404 PolarHBondContact N-O 2.9Å; A1331-V1404 PolarHBondContact O-N 2.74Å; A1331-L1444 HydrophobicContact CB-CD1 3.67Å; A1331-L1444 HydrophobicContact CB-CD2 3.63Å; A1331-L1444 HydrophobicContact CB-CG 4.26Å
1332Q87.6Confident83Confident42 Ų4221.7 Ų21.720%0.19611%0.11CC..EExtended strand (participates in β ladder)trans-89.8119170.8-175.9178.9-6.200108A1323 R1324 F1326 F1353A1323-Q1332 CarbonylContact C-O 3.4Å; A1323-Q1332 WeakPolarHBondContact CA-O 3.24Å; R1324-Q1332 PolarHBondContact N-O 2.92Å; R1324-Q1332 PolarHBondContact O-N 3.03Å; F1326-Q1332 HydrophobicContact CD1-CB 4.34Å; F1326-Q1332 HydrophobicContact CE1-CB 3.97Å; F1326-Q1332 VanDerWaalsContact CE1-N 3.3Å; Q1332-F1353 HydrophobicContact CB-CE1 4.05Å; Q1332-F1353 HydrophobicContact CG-CE1 3.87Å; Q1332-F1353 HydrophobicContact CG-CZ 4.31Å
1333L89.4Confident82.1Confident0 Ų022.3 Ų22.30%012%0.115CC..EExtended strand (participates in β ladder)trans-91.2141.6163.2-53.3-173000109.5V1321 Y1322 A1323 I1356 M1402 V1404 L1417 L1444V1321-L1333 HydrophobicContact CG1-CB 4.15Å; V1321-L1333 HydrophobicContact CG1-CD1 4.04Å; V1321-L1333 HydrophobicContact CG1-CD2 4.2Å; V1321-L1333 HydrophobicContact CG1-CG 4.37Å; Y1322-L1333 CarbonylContact O-C 3.52Å; Y1322-L1333 VanDerWaalsContact O-CA 3.27Å; Y1322-L1333 WeakPolarHBondContact O-CA 3.39Å; A1323-L1333 HydrophobicContact CB-CD2 3.49Å; A1323-L1333 VanDerWaalsContact CB-CD2 3.49Å; L1333-I1356 HydrophobicContact CD2-CD1 3.85Å; L1333-M1402 WeakPolarHBondContact CA-O 3.36Å; L1333-M1402 HydrophobicContact CB-CG 3.83Å; L1333-M1402 PolarHBondContact N-O 3.24Å; L1333-M1402 PolarHBondContact O-N 2.87Å; L1333-V1404 HydrophobicContact CD1-CB 4.46Å; L1333-V1404 HydrophobicContact CD1-CG1 3.57Å; L1333-V1404 HydrophobicContact CD1-CG2 4.03Å; L1333-V1404 HydrophobicContact CD2-CG2 4.18Å; L1333-V1404 HydrophobicContact CG-CB 4.49Å; L1333-V1404 HydrophobicContact CG-CG1 3.89Å; L1333-V1404 HydrophobicContact CG-CG2 3.78Å; L1333-L1417 HydrophobicContact CD1-CD1 3.82Å; L1333-L1444 HydrophobicContact CD2-CD2 3.89Å
1334R89Confident81.1Confident25 Ų2529.5 Ų29.59%0.09415%0.149CC..EExtended strand (participates in β ladder)trans-115.2110.3162.1-63.7-167.3174-173.38107.4V1321 Y1322 L1336 E1348 E1351 F1353 N1401V1321-R1334 WeakPolarHBondContact CA-O 3.36Å; Y1322-R1334 PolarHBondContact N-O 3.33Å; Y1322-R1334 PolarHBondContact O-N 2.86Å; R1334-L1336 HydrophobicContact CB-CD1 3.88Å; R1334-E1348 HydrophobicContact CB-CG 4.07Å; R1334-E1348 WeakPolarHBondContact CD-OE1 3.29Å; R1334-E1348 IonicContact CZ-OE1 2.81Å; R1334-E1348 IonicContact NE-OE1 3.05Å; R1334-E1348 IonicContact NH1-OE1 2.58Å; R1334-E1348 PolarHBondContact NH1-OE1 2.87Å; R1334-E1351 IonicContact CZ-OE2 3.59Å; R1334-E1351 IonicContact NH1-OE1 3.49Å; R1334-E1351 IonicContact NH1-OE2 3.57Å; R1334-E1351 PolarHBondContact NH1-OE2 2.96Å; R1334-E1351 IonicContact NH2-OE2 3.96Å; R1334-E1351 PolarHBondContact NH2-OE2 2.85Å; R1334-F1353 HydrophobicContact CG-CD1 4.09Å; R1334-F1353 HydrophobicContact CG-CE1 3.73Å; R1334-F1353 HydrophobicContact CG-CZ 4.16Å; R1334-F1353 VanDerWaalsContact NE-CZ 3.29Å; R1334-N1401 WeakPolarHBondContact CG-OD1 3.48Å
1335C89.2Confident80.1Confident0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-94.2113.6175.4-65.50000107.5V1320 L1400 F1419V1320-C1335 WeakPolarHBondContact O-CA 3.36Å; C1335-L1400 PolarHBondContact N-O 2.84Å; C1335-L1400 PolarHBondContact O-N 2.82Å; C1335-F1419 HydrophobicContact CB-CE1 4.48Å; C1335-F1419 HydrophobicContact CB-CZ 4.42Å
1336L89.6Confident79.4Confident10 Ų1030 Ų305%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-111150.5175.5-71.186.9000110F1319 V1320 Y1322 R1334 L1338 E1348 N1398 R1399F1319-L1336 CarbonylContact C-O 3.58Å; F1319-L1336 WeakPolarHBondContact CA-O 3.31Å; V1320-L1336 PolarHBondContact N-O 3.03Å; V1320-L1336 PolarHBondContact O-N 2.83Å; Y1322-L1336 HydrophobicContact CD2-CD1 3.91Å; Y1322-L1336 HydrophobicContact CE2-CD1 4.09Å; R1334-L1336 HydrophobicContact CB-CD1 3.88Å; L1336-L1338 HydrophobicContact CB-CD2 4.04Å; L1336-L1338 HydrophobicContact CD2-CD2 4.1Å; L1336-E1348 HydrophobicContact CD1-CG 3.68Å; L1336-E1348 WeakPolarHBondContact CD2-OE2 3.47Å; L1336-N1398 CarbonylContact C-O 3.47Å; L1336-N1398 WeakPolarHBondContact CA-O 3.36Å; L1336-R1399 HydrophobicContact CD2-CB 4.29Å; L1336-R1399 HydrophobicContact CG-CB 3.9Å
1337C88.5Confident79.3Confident2 Ų231.9 Ų31.91%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-111.596.4163.6-168.90000108.3Q1318 F1319 T1339 L1390 M1392 N1398Q1318-C1337 CarbonylContact O-C 3.53Å; Q1318-C1337 WeakPolarHBondContact O-CA 3.05Å; F1319-C1337 HydrophobicContact CD1-CB 4.31Å; F1319-C1337 HydrophobicContact CE1-CB 4.08Å; F1319-C1337 VanDerWaalsContact CE2-SG 3.59Å; F1319-C1337 HydrophobicContact CZ-CB 4.18Å; C1337-T1339 PolarHBondContact O-N 3.45Å; C1337-L1390 HydrophobicContact CB-CD2 3.76Å; C1337-M1392 HydrophobicContact CB-CE 3.68Å; C1337-M1392 HydrophobicContact CB-SD 3.46Å; C1337-M1392 WeakPolarHBondContact CB-SD 3.22Å; C1337-N1398 HydrophobicContact CB-CB 4.29Å; C1337-N1398 PolarHBondContact N-O 2.93Å; C1337-N1398 WeakPolarHBondContact O-CB 3.21Å
1338L85.3Confident79.3Confident21 Ų2129.5 Ų29.511%0.1115%0.152CC..EExtended strand (participates in β ladder)trans-72.4118-178.8-57-175.8000108.9Q1318 V1320 L1336 A1343 T1346Q1318-L1338 PolarHBondContact N-O 3.23Å; Q1318-L1338 PolarHBondContact O-N 3.17Å; V1320-L1338 HydrophobicContact CB-CD1 4.45Å; V1320-L1338 HydrophobicContact CG2-CD1 3.68Å; V1320-L1338 HydrophobicContact CG2-CG 3.89Å; L1336-L1338 HydrophobicContact CB-CD2 4.04Å; L1336-L1338 HydrophobicContact CD2-CD2 4.1Å; L1338-A1343 HydrophobicContact CD1-CB 4.11Å; L1338-T1346 HydrophobicContact CD1-CG2 3.94Å; L1338-T1346 HydrophobicContact CD2-CG2 3.79Å
1339T81.2Confident79.1Confident5 Ų529.9 Ų29.93%0.03115%0.151CC..SBendtrans-97.1-21.7175.446.50000113.1Y1067 C1337 M1392 F1395Y1067-T1339 WeakPolarHBondContact CB-O 3.5Å; Y1067-T1339 WeakPolarHBondContact CD1-O 3.43Å; C1337-T1339 PolarHBondContact O-N 3.45Å; T1339-M1392 HydrophobicContact CG2-CE 4.24Å; T1339-F1395 PolarHBondContact OG1-N 3.43Å
1340D79.1Confident78.6Confident10 Ų1030.8 Ų30.85%0.05316%0.155CC..SBendtrans-161.716.6-164.862.5-38.5000115Y1002 R1045 Y1067 F1395Y1002-D1340 WeakPolarHBondContact CE1-O 3.37Å; Y1002-D1340 PolarHBondContact OH-O 3.16Å; R1045-D1340 IonicContact CZ-OD2 3.68Å; R1045-D1340 IonicContact NE-OD2 2.74Å; R1045-D1340 PolarHBondContact NE-OD2 3.35Å; R1045-D1340 IonicContact NH2-OD1 3.88Å; R1045-D1340 IonicContact NH2-OD2 2.96Å; R1045-D1340 PolarHBondContact NH2-OD2 2.96Å; Y1067-D1340 HydrophobicContact CD2-CB 3.91Å; Y1067-D1340 HydrophobicContact CE2-CB 3.82Å; Y1067-D1340 HydrophobicContact CG-CB 4.37Å; D1340-F1395 HydrophobicContact CB-CD1 3.78Å; D1340-F1395 HydrophobicContact CB-CE1 4.21Å
1341D72.2Confident78.1Confident57 Ų5733.5 Ų33.531%0.30517%0.168SC..SBendtrans-140159.8174.7-161.80.8000110.3K1345D1341-K1345 WeakPolarHBondContact OD1-CB 3.45Å
1342S72Confident77.6Confident34 Ų3435.2 Ų35.224%0.23819%0.185CC..  trans-87.3149.3-179.782.20000112.4E1344 K1345S1342-E1344 PolarHBondContact O-N 2.92Å; S1342-K1345 PolarHBondContact O-N 3.3Å; S1342-K1345 WeakPolarHBondContact OG-CD 2.8Å; S1342-K1345 PolarHBondContact OG-NZ 2.83Å
1343A72.8Confident77.4Confident12 Ų1233.6 Ų33.610%0.09918%0.178CC..THydrogen-bonded Turntrans-63.21.8177.700000115V1320 Y1322 L1338 L1349 L1355V1320-A1343 HydrophobicContact CG1-CB 4.12Å; V1320-A1343 HydrophobicContact CG2-CB 4.29Å; Y1322-A1343 VanDerWaalsContact OH-CA 3.28Å; Y1322-A1343 WeakPolarHBondContact OH-CA 3.33Å; Y1322-A1343 PolarHBondContact OH-O 3.4Å; L1338-A1343 HydrophobicContact CD1-CB 4.11Å; A1343-L1349 VanDerWaalsContact O-CD1 3.23Å; A1343-L1349 WeakPolarHBondContact O-CD1 3.35Å; A1343-L1355 HydrophobicContact CB-CD2 4.44Å
1344E68Low77.2Confident152 Ų15237.1 Ų37.171%0.7119%0.194SC*.THydrogen-bonded Turntrans-103.5-14.6177.4-59.1171.8149.400112.7S1342 L1349S1342-E1344 PolarHBondContact O-N 2.92Å; E1344-L1349 WeakPolarHBondContact O-CD1 3.38Å
1345K63.3Low77.2Confident62 Ų6239.5 Ų39.527%0.2721%0.208SC..THydrogen-bonded Turntrans-113-8.9-169.6-70.4170.8-168.9130.40114R1001 D1341 S1342 Q1350R1001-K1345 VanDerWaalsContact O-CE 3.3Å; R1001-K1345 WeakPolarHBondContact O-CE 3.38Å; R1001-K1345 PolarHBondContact O-NZ 2.91Å; D1341-K1345 WeakPolarHBondContact OD1-CB 3.45Å; S1342-K1345 PolarHBondContact O-N 3.3Å; S1342-K1345 WeakPolarHBondContact OG-CD 2.8Å; S1342-K1345 PolarHBondContact OG-NZ 2.83Å; K1345-Q1350 PolarHBondContact O-NE2 2.91Å; K1345-Q1350 VanDerWaalsContact O-NE2 3.13Å
1346T68.2Low77.1Confident7 Ų741 Ų414%0.04322%0.216CC..SBendtrans-53153.8178.654.20000113.7Y1322 L1338 E1348 L1349Y1322-T1346 HydrophobicContact CE2-CG2 4.32Å; Y1322-T1346 VanDerWaalsContact CZ-OG1 3.23Å; Y1322-T1346 WeakPolarHBondContact OH-CG2 3.26Å; Y1322-T1346 PolarHBondContact OH-OG1 3.08Å; L1338-T1346 HydrophobicContact CD1-CG2 3.94Å; L1338-T1346 HydrophobicContact CD2-CG2 3.79Å; T1346-E1348 PolarHBondContact O-N 3.39Å; T1346-L1349 PolarHBondContact O-N 3.08Å
1347L69.9Low77Confident60 Ų6041 Ų4131%0.31422%0.217SC..Hα-helixtrans-61.5-32.5174.8-58.4172.7000110.9L1349 Q1350 E1351 I1653L1347-L1349 PolarHBondContact O-N 2.77Å; L1347-Q1350 CarbonylContact O-C 3.55Å; L1347-Q1350 WeakPolarHBondContact O-CA 3.46Å; L1347-Q1350 PolarHBondContact O-N 2.95Å; L1347-E1351 WeakPolarHBondContact O-CG 3.31Å; L1347-E1351 PolarHBondContact O-N 2.99Å; L1347-I1653 HydrophobicContact CB-CD1 4.45Å; L1347-I1653 HydrophobicContact CD2-CD1 3.73Å; L1347-I1653 HydrophobicContact CD2-CG1 4.44Å
1348E79.5Confident77.1Confident3 Ų344.7 Ų44.71%0.01424%0.237CC..Hα-helixtrans-51.2-47177.6-78.546.8-124.600113.5Y1322 R1334 L1336 T1346 E1351 G1352 F1353Y1322-E1348 HydrophobicContact CD1-CB 3.83Å; Y1322-E1348 HydrophobicContact CD2-CB 3.76Å; Y1322-E1348 HydrophobicContact CD2-CG 3.58Å; Y1322-E1348 HydrophobicContact CE1-CB 4.13Å; Y1322-E1348 HydrophobicContact CE2-CB 4.05Å; Y1322-E1348 HydrophobicContact CE2-CG 4.04Å; Y1322-E1348 HydrophobicContact CG-CB 3.64Å; Y1322-E1348 HydrophobicContact CG-CG 3.86Å; R1334-E1348 HydrophobicContact CB-CG 4.07Å; R1334-E1348 WeakPolarHBondContact CD-OE1 3.29Å; R1334-E1348 IonicContact CZ-OE1 2.81Å; R1334-E1348 IonicContact NE-OE1 3.05Å; R1334-E1348 IonicContact NH1-OE1 2.58Å; R1334-E1348 PolarHBondContact NH1-OE1 2.87Å; L1336-E1348 HydrophobicContact CD1-CG 3.68Å; L1336-E1348 WeakPolarHBondContact CD2-OE2 3.47Å; T1346-E1348 PolarHBondContact O-N 3.39Å; E1348-E1351 PolarHBondContact O-N 2.96Å; E1348-G1352 PolarHBondContact O-N 2.84Å; E1348-F1353 HydrophobicContact CB-CB 4.41Å; E1348-F1353 WeakPolarHBondContact O-CB 3.44Å; E1348-F1353 PolarHBondContact O-N 3.37Å
1349L71.3Confident77.1Confident68 Ų6844 Ų4436%0.35624%0.235SC..Hα-helixtrans-67.9-38.8177-81.7163.7000111.6Y1322 A1343 E1344 T1346 L1347 E1351 G1352Y1322-L1349 HydrophobicContact CD1-CG 4.44Å; Y1322-L1349 HydrophobicContact CE1-CD1 4.22Å; Y1322-L1349 HydrophobicContact CE1-CG 3.96Å; A1343-L1349 VanDerWaalsContact O-CD1 3.23Å; A1343-L1349 WeakPolarHBondContact O-CD1 3.35Å; E1344-L1349 WeakPolarHBondContact O-CD1 3.38Å; T1346-L1349 PolarHBondContact O-N 3.08Å; L1347-L1349 PolarHBondContact O-N 2.77Å; L1349-E1351 VanDerWaalsContact C-N 3.31Å; L1349-E1351 PolarHBondContact O-N 2.69Å; L1349-G1352 PolarHBondContact O-N 3.17Å; L1349-G1352 VanDerWaalsContact O-N 3.13Å
1350Q68.5Low77.4Confident67 Ų6747.4 Ų47.431%0.31326%0.257SS..Hα-helixtrans-72.2-24.7178.8-56.8178.24900112.6K1345 L1347 G1352 I1653K1345-Q1350 PolarHBondContact O-NE2 2.91Å; K1345-Q1350 VanDerWaalsContact O-NE2 3.13Å; L1347-Q1350 CarbonylContact O-C 3.55Å; L1347-Q1350 WeakPolarHBondContact O-CA 3.46Å; L1347-Q1350 PolarHBondContact O-N 2.95Å; Q1350-G1352 VanDerWaalsContact C-N 3.34Å; Q1350-I1653 HydrophobicContact CB-CD1 3.57Å; Q1350-I1653 HydrophobicContact CG-CD1 4.4Å
1351E72.2Confident77.7Confident66 Ų6650.7 Ų50.731%0.30828%0.28SS..THydrogen-bonded Turntrans-86.20.5170.1-71.5-172.7-17100113.8R1324 R1334 L1347 E1348 L1349 F1353R1324-E1351 PolarHBondContact NH1-O 2.83Å; R1334-E1351 IonicContact CZ-OE2 3.59Å; R1334-E1351 IonicContact NH1-OE1 3.49Å; R1334-E1351 IonicContact NH1-OE2 3.57Å; R1334-E1351 PolarHBondContact NH1-OE2 2.96Å; R1334-E1351 IonicContact NH2-OE2 3.96Å; R1334-E1351 PolarHBondContact NH2-OE2 2.85Å; L1347-E1351 WeakPolarHBondContact O-CG 3.31Å; L1347-E1351 PolarHBondContact O-N 2.99Å; E1348-E1351 PolarHBondContact O-N 2.96Å; L1349-E1351 VanDerWaalsContact C-N 3.31Å; L1349-E1351 PolarHBondContact O-N 2.69Å; E1351-F1353 HydrophobicContact CB-CD2 4.19Å; E1351-F1353 HydrophobicContact CB-CE2 4.3Å
1352G73.7Confident78.5Confident36 Ų3649.3 Ų49.337%0.37127%0.272SS..THydrogen-bonded Turntrans79.535.1174.600000115E1348 L1349 Q1350E1348-G1352 PolarHBondContact O-N 2.84Å; L1349-G1352 PolarHBondContact O-N 3.17Å; L1349-G1352 VanDerWaalsContact O-N 3.13Å; Q1350-G1352 VanDerWaalsContact C-N 3.34Å
1353F83.1Confident79.3Confident9 Ų950.5 Ų50.54%0.03927%0.274CS..PPolyproline II helixtrans-89.8144.9163-68.2-113.1000110R1324 Q1332 R1334 E1348 E1351R1324-F1353 HydrophobicContact CB-CD1 3.41Å; R1324-F1353 VanDerWaalsContact CB-CD1 3.41Å; R1324-F1353 HydrophobicContact CB-CD2 4.43Å; R1324-F1353 HydrophobicContact CB-CE1 3.48Å; R1324-F1353 VanDerWaalsContact CB-CE1 3.48Å; R1324-F1353 HydrophobicContact CB-CG 3.88Å; R1324-F1353 HydrophobicContact CB-CZ 4.04Å; Q1332-F1353 HydrophobicContact CB-CE1 4.05Å; Q1332-F1353 HydrophobicContact CG-CE1 3.87Å; Q1332-F1353 HydrophobicContact CG-CZ 4.31Å; R1334-F1353 HydrophobicContact CG-CD1 4.09Å; R1334-F1353 HydrophobicContact CG-CE1 3.73Å; R1334-F1353 HydrophobicContact CG-CZ 4.16Å; R1334-F1353 VanDerWaalsContact NE-CZ 3.29Å; E1348-F1353 HydrophobicContact CB-CB 4.41Å; E1348-F1353 WeakPolarHBondContact O-CB 3.44Å; E1348-F1353 PolarHBondContact O-N 3.37Å; E1351-F1353 HydrophobicContact CB-CD2 4.19Å; E1351-F1353 HydrophobicContact CB-CE2 4.3Å
1354Q84.4Confident80Confident73 Ų7350 Ų5034%0.34127%0.27SS..EExtended strand (participates in β ladder)trans-90.1138.5172.9-65-174.60.100110.1Y1322 A1323 I1356 P1445 E1447Y1322-Q1354 CarbonylContact C-O 3.58Å; Y1322-Q1354 VanDerWaalsContact CA-O 3.26Å; Y1322-Q1354 WeakPolarHBondContact CA-O 3.36Å; A1323-Q1354 PolarHBondContact N-O 2.98Å; A1323-Q1354 PolarHBondContact O-N 2.78Å; Q1354-I1356 PolarHBondContact O-N 2.75Å; Q1354-P1445 HydrophobicContact CB-CG 4.15Å; Q1354-P1445 HydrophobicContact CG-CG 4.46Å; Q1354-P1445 VanDerWaalsContact OE1-CB 3.3Å; Q1354-E1447 PolarHBondContact NE2-OE2 2.8Å
1355L88.3Confident80.9Confident75 Ų7545.1 Ų45.139%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-71119.8171.7174.558.1000109.6V1320 Y1322 A1343V1320-L1355 HydrophobicContact CG1-CD1 3.32Å; Y1322-L1355 HydrophobicContact CD1-CB 3.99Å; Y1322-L1355 HydrophobicContact CD1-CD1 4.23Å; Y1322-L1355 HydrophobicContact CE1-CB 4Å; Y1322-L1355 HydrophobicContact CE1-CD1 4.02Å; A1343-L1355 HydrophobicContact CB-CD2 4.44Å
1356I88.4Confident81.9Confident31 Ų3144 Ų4416%0.15925%0.245CC..EExtended strand (participates in β ladder)trans-117.3-23.9-176.264.1150000115.7V1321 A1323 L1333 Q1354 A1442 K1443 L1444 P1445V1321-I1356 HydrophobicContact CB-CG1 4.44Å; V1321-I1356 HydrophobicContact CG1-CD1 4.23Å; V1321-I1356 HydrophobicContact CG1-CG1 4.09Å; V1321-I1356 VanDerWaalsContact O-CG1 3.28Å; V1321-I1356 WeakPolarHBondContact O-CG1 3.32Å; V1321-I1356 PolarHBondContact O-N 2.94Å; A1323-I1356 HydrophobicContact CB-CB 4.32Å; A1323-I1356 HydrophobicContact CB-CD1 3.59Å; A1323-I1356 HydrophobicContact CB-CG1 3.73Å; A1323-I1356 HydrophobicContact CB-CG2 3.67Å; L1333-I1356 HydrophobicContact CD2-CD1 3.85Å; Q1354-I1356 PolarHBondContact O-N 2.75Å; I1356-A1442 HydrophobicContact CD1-CB 3.63Å; I1356-K1443 VanDerWaalsContact CB-O 3.29Å; I1356-K1443 WeakPolarHBondContact CB-O 3.41Å; I1356-K1443 WeakPolarHBondContact CD1-O 3.46Å; I1356-K1443 VanDerWaalsContact CG2-O 3.31Å; I1356-K1443 WeakPolarHBondContact CG2-O 3.38Å; I1356-L1444 HydrophobicContact CD1-CD2 4.3Å; I1356-P1445 HydrophobicContact CG2-CG 4.2Å
1357A88.2Confident82.5Confident10 Ų1049.2 Ų49.28%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-147.5133.9171.200000109.7V1321 L1440V1321-A1357 HydrophobicContact CB-CB 4.15Å; V1321-A1357 HydrophobicContact CG2-CB 4.46Å; V1321-A1357 PolarHBondContact N-O 2.88Å; V1321-A1357 PolarHBondContact O-N 3.45Å; V1321-A1357 VanDerWaalsContact O-N 3.16Å; A1357-L1440 HydrophobicContact CB-CB 4.07Å
1358N88.6Confident83Confident81 Ų8148.5 Ų48.543%0.43327%0.268SS..EExtended strand (participates in β ladder)trans-122.5128.5175.5-167.86.9000108.9Q1318Q1318-N1358 VanDerWaalsContact CD-OD1 3.24Å; Q1318-N1358 PolarHBondContact NE2-OD1 3.15Å; Q1318-N1358 VanDerWaalsContact NE2-OD1 3.09Å
1359G86.7Confident83.2Confident6 Ų650.4 Ų50.46%0.06228%0.28CS..EExtended strand (participates in β ladder)trans-86.7165.3-177.900000114.1Q1318 F1319Q1318-G1359 WeakPolarHBondContact CG-O 3.33Å; Q1318-G1359 PolarHBondContact NE2-O 2.88Å; F1319-G1359 WeakPolarHBondContact O-CA 3.45Å; F1319-G1359 PolarHBondContact O-N 3.48Å
1360P87.8Confident83.9Confident77 Ų7747.4 Ų47.450%0.527%0.265SS..EExtended strand (participates in β ladder)trans-64.3152.1159.531.1-34.9000110.1I1362P1360-I1362 HydrophobicContact CG-CG2 4.25Å
1361C85.7Confident84.8Confident78 Ų7846.4 Ų46.453%0.52726%0.258SS..EExtended strand (participates in β ladder)trans-66.3131.2167-53.70000109.5I1316I1316-C1361 HydrophobicContact CG2-CB 3.82Å
1362I88.5Confident85.5Confident28 Ų2843.6 Ų43.614%0.14425%0.245CC..EExtended strand (participates in β ladder)trans-135.1166.5-179.159.4163000111.9G1317 F1319 P1360 V1364 A1437 T1438G1317-I1362 PolarHBondContact N-O 3.06Å; G1317-I1362 PolarHBondContact O-N 3.03Å; F1319-I1362 HydrophobicContact CD2-CD1 3.79Å; F1319-I1362 HydrophobicContact CD2-CG1 3.94Å; F1319-I1362 HydrophobicContact CE2-CD1 3.62Å; F1319-I1362 HydrophobicContact CE2-CG1 3.92Å; P1360-I1362 HydrophobicContact CG-CG2 4.25Å; I1362-V1364 HydrophobicContact CG1-CG2 4.21Å; I1362-A1437 HydrophobicContact CD1-CB 3.7Å; I1362-T1438 HydrophobicContact CD1-CG2 4.17Å
1363E88.3Confident85.9Confident59 Ų5944.2 Ų44.228%0.27624%0.238SC..EExtended strand (participates in β ladder)trans-70.5125.2172.2172.7-168.9-124.800110.8F1069 P1314 Y1315 R1421F1069-E1363 HydrophobicContact CD1-CB 3.97Å; F1069-E1363 HydrophobicContact CD1-CG 3.74Å; F1069-E1363 HydrophobicContact CD2-CB 4.2Å; F1069-E1363 HydrophobicContact CE1-CB 3.64Å; F1069-E1363 HydrophobicContact CE1-CG 3.65Å; F1069-E1363 VanDerWaalsContact CE1-OE1 3.26Å; F1069-E1363 WeakPolarHBondContact CE1-OE1 3.4Å; F1069-E1363 HydrophobicContact CE2-CB 3.91Å; F1069-E1363 HydrophobicContact CG-CB 4.23Å; F1069-E1363 HydrophobicContact CG-CG 4.31Å; F1069-E1363 HydrophobicContact CZ-CB 3.61Å; F1069-E1363 HydrophobicContact CZ-CG 4.17Å; P1314-E1363 HydrophobicContact CB-CG 4.44Å; Y1315-E1363 WeakPolarHBondContact O-CA 3.47Å; E1363-R1421 PolarHBondContact O-NH2 3.27Å; E1363-R1421 IonicContact OE2-CZ 3.88Å; E1363-R1421 IonicContact OE2-NH1 3.68Å; E1363-R1421 PolarHBondContact OE2-NH1 3.31Å; E1363-R1421 IonicContact OE2-NH2 3.75Å; E1363-R1421 PolarHBondContact OE2-NH2 2.84Å
1364V87.4Confident85.9Confident2 Ų245.7 Ų45.71%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-131.8140.6177.1-170.30000108.6Y1315 F1319 I1362 M1392Y1315-V1364 PolarHBondContact N-O 3.13Å; Y1315-V1364 PolarHBondContact O-N 3.28Å; F1319-V1364 HydrophobicContact CE2-CG2 3.74Å; F1319-V1364 HydrophobicContact CZ-CG2 4.31Å; I1362-V1364 HydrophobicContact CG1-CG2 4.21Å; V1364-M1392 HydrophobicContact CG1-CB 4.18Å; V1364-M1392 HydrophobicContact CG1-CE 3.7Å; V1364-M1392 HydrophobicContact CG1-CG 3.56Å; V1364-M1392 HydrophobicContact CG1-SD 3.84Å
1365L87.1Confident85.8Confident50 Ų5044.8 Ų44.826%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-100.1142.3-177.1-64.6175.6000111A1312 P1314 H1368A1312-L1365 HydrophobicContact CB-CB 4.22Å; A1312-L1365 HydrophobicContact CB-CD1 4.38Å; A1312-L1365 HydrophobicContact CB-CD2 4.28Å; P1314-L1365 HydrophobicContact CB-CD2 3.86Å; L1365-H1368 HydrophobicContact CB-CB 3.73Å; L1365-H1368 PolarHBondContact O-N 3.49Å
1366D84.3Confident85.6Confident38 Ų3843.6 Ų43.620%0.20326%0.259CS..THydrogen-bonded Turntrans-64.3146.4173-130.6-8.1000111.7V1313 Y1315 H1368 H1393 A1394V1313-D1366 HydrophobicContact CB-CB 4.33Å; V1313-D1366 PolarHBondContact O-N 3.39Å; Y1315-D1366 HydrophobicContact CD2-CB 4.33Å; Y1315-D1366 HydrophobicContact CE2-CB 3.84Å; Y1315-D1366 VanDerWaalsContact CE2-OD2 3.26Å; Y1315-D1366 WeakPolarHBondContact CE2-OD2 3.38Å; Y1315-D1366 PolarHBondContact OH-OD2 3.15Å; D1366-H1368 PolarHBondContact O-N 2.84Å; D1366-H1368 PolarHBondContact O-ND1 2.88Å; D1366-H1393 VanDerWaalsContact OD1-CA 3.29Å; D1366-H1393 WeakPolarHBondContact OD1-CA 3.44Å; D1366-A1394 PolarHBondContact OD1-N 3.02Å
1367D80.6Confident85.5Confident116 Ų11642.6 Ų42.662%0.6225%0.253SS*.THydrogen-bonded Turntrans556.9-173.8-69.4-20.1000115.9P1369 M1392 H1393D1367-P1369 WeakPolarHBondContact O-CD 3.29Å; D1367-M1392 VanDerWaalsContact CA-O 3.27Å; D1367-M1392 WeakPolarHBondContact CA-O 3.14Å; D1367-M1392 PolarHBondContact N-O 2.86Å; D1367-H1393 IonicContact OD1-CE1 2.67Å; D1367-H1393 PolarHBondContact OD1-CE1 2.86Å; D1367-H1393 IonicContact OD1-ND1 2.81Å; D1367-H1393 PolarHBondContact OD1-ND1 3.08Å
1368H80.9Confident85.3Confident46 Ų4642.2 Ų42.221%0.21325%0.25CS..  trans-102.2111.5-174.1-79.658.4000113.3A1312 L1365 D1366 H1370 M1392A1312-H1368 WeakPolarHBondContact CB-CE1 3.47Å; L1365-H1368 HydrophobicContact CB-CB 3.73Å; L1365-H1368 PolarHBondContact O-N 3.49Å; D1366-H1368 PolarHBondContact O-N 2.84Å; D1366-H1368 PolarHBondContact O-ND1 2.88Å; H1368-H1370 PolarHBondContact O-ND1 2.91Å; H1368-H1370 VanDerWaalsContact O-ND1 3.12Å; H1368-M1392 WeakPolarHBondContact O-CB 3.35Å; H1368-M1392 WeakPolarHBondContact O-CG 3.3Å
1369P83.6Confident85Confident42 Ų4240.7 Ų40.727%0.27324%0.244SC..  trans-64.9142.7178.326.9-33.8000112D1367 W1371 Q1389 L1390D1367-P1369 WeakPolarHBondContact O-CD 3.29Å; P1369-W1371 HydrophobicContact CG-CH2 3.83Å; P1369-W1371 HydrophobicContact CG-CZ2 4.04Å; P1369-W1371 HydrophobicContact CG-CZ3 4.42Å; P1369-W1371 WeakPolarHBondContact O-CZ3 3.48Å; P1369-Q1389 HydrophobicContact CB-CB 4.38Å; P1369-L1390 CarbonylContact C-O 3.5Å; P1369-L1390 VanDerWaalsContact CA-O 3.27Å; P1369-L1390 WeakPolarHBondContact CA-O 3.18Å
1370H86.3Confident84.7Confident5 Ų541.8 Ų41.82%0.02325%0.25CC..EExtended strand (participates in β ladder)trans-111.2124.4174.6-80.457.8000110F1319 H1368 Q1389 L1390F1319-H1370 HydrophobicContact CZ-CB 4.43Å; H1368-H1370 PolarHBondContact O-ND1 2.91Å; H1368-H1370 VanDerWaalsContact O-ND1 3.12Å; H1370-Q1389 CarbonylContact O-C 3.6Å; H1370-Q1389 WeakPolarHBondContact O-CA 3.4Å; H1370-L1390 PolarHBondContact N-O 3Å; H1370-L1390 PolarHBondContact O-N 2.83Å
1371W86Confident84Confident47 Ų4741 Ų4118%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-86.2154.5-177.6-67.1-89.7000111.8P1369 Q1387 L1388 F1419 M1420 R1421 H1422 P1423P1369-W1371 HydrophobicContact CG-CH2 3.83Å; P1369-W1371 HydrophobicContact CG-CZ2 4.04Å; P1369-W1371 HydrophobicContact CG-CZ3 4.42Å; P1369-W1371 WeakPolarHBondContact O-CZ3 3.48Å; W1371-Q1387 HydrophobicContact CB-CG 4.14Å; W1371-L1388 CarbonylContact C-O 3.41Å; W1371-L1388 VanDerWaalsContact CA-O 3.26Å; W1371-L1388 WeakPolarHBondContact CA-O 3.26Å; W1371-F1419 CarbonylContact O-C 3.55Å; W1371-F1419 WeakPolarHBondContact O-CA 3.48Å; W1371-M1420 HydrophobicContact CB-CB 4.32Å; W1371-M1420 PolarHBondContact N-O 2.92Å; W1371-M1420 PolarHBondContact O-N 2.87Å; W1371-R1421 VanDerWaalsContact CZ3-O 3.24Å; W1371-R1421 WeakPolarHBondContact CZ3-O 3.47Å; W1371-H1422 VanDerWaalsContact CE3-C 3.48Å; W1371-P1423 HydrophobicContact CD2-CB 4.09Å; W1371-P1423 HydrophobicContact CG-CB 4.22Å; W1371-P1423 HydrophobicContact CZ2-CB 4.34Å; W1371-P1423 HydrophobicContact CZ2-CG 4.11Å
1372I87.6Confident83Confident7 Ų739.1 Ų39.14%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-120.4133.8-178.6-52.2-176000111.1T1374 Q1387 L1388 L1400 M1402 A1418 F1419I1372-T1374 HydrophobicContact CG2-CG2 4.3Å; I1372-Q1387 VanDerWaalsContact O-CG 3.29Å; I1372-Q1387 WeakPolarHBondContact O-CG 3.33Å; I1372-L1388 HydrophobicContact CB-CB 4.36Å; I1372-L1388 PolarHBondContact N-O 2.94Å; I1372-L1400 HydrophobicContact CD1-CD2 3.53Å; I1372-M1402 HydrophobicContact CD1-SD 4.23Å; I1372-A1418 WeakPolarHBondContact CA-O 3.02Å; I1372-F1419 HydrophobicContact CD1-CD1 4Å; I1372-F1419 HydrophobicContact CD1-CE1 3.47Å; I1372-F1419 VanDerWaalsContact CD1-CE1 3.47Å; I1372-F1419 HydrophobicContact CD1-CZ 4.22Å; I1372-F1419 HydrophobicContact CG1-CD1 3.8Å; I1372-F1419 HydrophobicContact CG1-CE1 3.83Å
1373E82.8Confident81.2Confident49 Ų4940.3 Ų40.323%0.22924%0.238CC..EExtended strand (participates in β ladder)trans-115.6153.5166.5-58.7-159.4122.400111.2Q1387 A1418 M1420 R1424E1373-Q1387 VanDerWaalsContact CG-NE2 3.29Å; E1373-A1418 HydrophobicContact CB-CB 4.35Å; E1373-A1418 PolarHBondContact N-O 3.26Å; E1373-A1418 PolarHBondContact O-N 3.06Å; E1373-M1420 HydrophobicContact CG-CG 3.93Å; E1373-R1424 IonicContact OE1-CZ 2.7Å; E1373-R1424 IonicContact OE1-NE 2.86Å; E1373-R1424 PolarHBondContact OE1-NE 3.07Å; E1373-R1424 IonicContact OE1-NH2 3.17Å; E1373-R1424 PolarHBondContact OE1-NH2 3.31Å
1374T83.3Confident79Confident40 Ų4040.6 Ų40.625%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-136.2127.9-171.560.90000111.9I1372 P1380 M1402 K1416 L1417I1372-T1374 HydrophobicContact CG2-CG2 4.3Å; T1374-P1380 HydrophobicContact CG2-CG 3.9Å; T1374-P1380 WeakPolarHBondContact OG1-CD 3.41Å; T1374-M1402 HydrophobicContact CG2-CE 4.36Å; T1374-K1416 CarbonylContact C-O 3.58Å; T1374-K1416 WeakPolarHBondContact CA-O 3.41Å; T1374-L1417 HydrophobicContact CG2-CD2 3.62Å
1375A81.7Confident77.4Confident54 Ų5449.5 Ų49.545%0.44629%0.285SS..EExtended strand (participates in β ladder)trans-129.4167.4179.700000112G1415 K1416A1375-G1415 CarbonylContact O-C 3.48Å; A1375-G1415 VanDerWaalsContact O-CA 3.31Å; A1375-G1415 WeakPolarHBondContact O-CA 3.35Å; A1375-K1416 HydrophobicContact CB-CB 4.47Å; A1375-K1416 PolarHBondContact N-O 2.99Å; A1375-K1416 PolarHBondContact O-N 3.41Å
1376G84Confident76.2Confident49 Ų4951.9 Ų51.951%0.50530%0.295SS..EExtended strand (participates in β ladder)trans77.5-147.5-17500000113.2K1407G1376-K1407 WeakPolarHBondContact O-CD 3.45Å; G1376-K1407 PolarHBondContact O-NZ 2.76Å
1377N85.7Confident75.7Confident10 Ų1051.9 Ų51.95%0.05329%0.294CS..THydrogen-bonded Turntrans-89.9-0.4-168.6-159.317000114.4V1406 K1407 D1408 Q1411 P1412 V1414N1377-V1406 CarbonylContact O-C 3.55Å; N1377-V1406 WeakPolarHBondContact O-CA 3.43Å; N1377-K1407 PolarHBondContact O-N 2.96Å; N1377-K1407 WeakPolarHBondContact OD1-CA 3.39Å; N1377-K1407 WeakPolarHBondContact OD1-CB 3.41Å; N1377-K1407 PolarHBondContact OD1-N 2.66Å; N1377-D1408 PolarHBondContact ND2-O 2.86Å; N1377-D1408 PolarHBondContact OD1-N 2.76Å; N1377-D1408 PolarHBondContact OD1-O 3.06Å; N1377-Q1411 WeakPolarHBondContact ND2-CB 3.37Å; N1377-Q1411 PolarHBondContact ND2-O 2.73Å; N1377-Q1411 VanDerWaalsContact ND2-O 3.09Å; N1377-P1412 PolarHBondContact ND2-O 2.83Å; N1377-V1414 WeakPolarHBondContact CA-O 3.43Å; N1377-V1414 WeakPolarHBondContact CB-O 3.41Å; N1377-V1414 PolarHBondContact N-O 3.18Å
1378L83.9Confident75.8Confident2 Ų248.4 Ų48.41%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-107.1133.8171.8-57.5178.9000110.5V1404 V1406 A1442 L1444L1378-V1404 HydrophobicContact CB-CB 4.45Å; L1378-V1404 HydrophobicContact CD2-CG2 4.35Å; L1378-V1406 HydrophobicContact CD2-CG2 4.05Å; L1378-A1442 HydrophobicContact CD1-CB 4.02Å; L1378-A1442 VanDerWaalsContact CD1-O 3.32Å; L1378-A1442 WeakPolarHBondContact CD1-O 3.4Å; L1378-L1444 HydrophobicContact CD1-CD2 4.15Å; L1378-L1444 HydrophobicContact CD1-CG 4.11Å; L1378-L1444 HydrophobicContact CD2-CD1 3.66Å; L1378-L1444 HydrophobicContact CD2-CG 3.88Å
1379V82.9Confident75.9Confident49 Ų4951.5 Ų51.530%0.29729%0.289SS..EExtended strand (participates in β ladder)trans-129.8131.4-179.2-176.10000109.9V1404 R1405 K1407V1379-V1404 CarbonylContact O-C 3.29Å; V1379-V1404 VanDerWaalsContact O-CA 3.23Å; V1379-V1404 WeakPolarHBondContact O-CA 3.18Å; V1379-R1405 PolarHBondContact N-O 2.52Å; V1379-R1405 PolarHBondContact O-N 2.7Å; V1379-K1407 HydrophobicContact CG2-CB 4.27Å; V1379-K1407 HydrophobicContact CG2-CD 3.5Å; V1379-K1407 VanDerWaalsContact CG2-CD 3.5Å; V1379-K1407 VanDerWaalsContact CG2-CE 3.42Å; V1379-K1407 HydrophobicContact CG2-CG 3.65Å
1380P79.8Confident76Confident29 Ų2949.6 Ų49.619%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-70.9137.9178.629.2-34000111T1374 A1382 L1388 M1402 I1403T1374-P1380 HydrophobicContact CG2-CG 3.9Å; T1374-P1380 WeakPolarHBondContact OG1-CD 3.41Å; P1380-A1382 HydrophobicContact CB-CB 4.46Å; P1380-A1382 PolarHBondContact O-N 3.04Å; P1380-L1388 HydrophobicContact CB-CD1 3.8Å; P1380-M1402 HydrophobicContact CB-CE 3.93Å; P1380-I1403 WeakPolarHBondContact CA-O 3.42Å
1381V73.2Confident75.7Confident62 Ų6251.1 Ų51.138%0.37629%0.294SS..  trans-80.563.9169.6-1700000108.7I1403 R1405V1381-I1403 HydrophobicContact CB-CB 4.17Å; V1381-I1403 HydrophobicContact CB-CG2 4.31Å; V1381-I1403 HydrophobicContact CG2-CB 4.19Å; V1381-I1403 HydrophobicContact CG2-CG2 3.82Å; V1381-I1403 PolarHBondContact N-O 2.87Å; V1381-R1405 HydrophobicContact CG2-CB 4.38Å
1382A64.3Low75.5Confident38 Ų3849.1 Ų49.131%0.31429%0.287SS..PPolyproline II helixtrans-95.7170.6172.600000110.5P1380 L1388P1380-A1382 HydrophobicContact CB-CB 4.46Å; P1380-A1382 PolarHBondContact O-N 3.04Å; A1382-L1388 HydrophobicContact CB-CD2 4.05Å; A1382-L1388 HydrophobicContact CB-CG 4.21Å
1383K50.7Low75.4Confident53 Ų5352.2 Ų52.223%0.2330%0.301CS..PPolyproline II helixtrans-71.6148.2169.3-54.8-179.2-147.3111.90109.3T308 R309 E1385 E1386T308-K1383 WeakPolarHBondContact O-CD 3.24Å; R309-K1383 WeakPolarHBondContact O-CE 3.44Å; K1383-E1385 PolarHBondContact O-N 3.12Å; K1383-E1386 HydrophobicContact CB-CB 4.31Å; K1383-E1386 HydrophobicContact CB-CG 4.28Å; K1383-E1386 WeakPolarHBondContact CD-OE2 3.45Å; K1383-E1386 WeakPolarHBondContact CE-OE2 3.46Å; K1383-E1386 IonicContact NZ-OE1 2.66Å; K1383-E1386 PolarHBondContact NZ-OE1 3.28Å; K1383-E1386 IonicContact NZ-OE2 3.92Å; K1383-E1386 PolarHBondContact NZ-OE2 2.97Å; K1383-E1386 PolarHBondContact O-N 2.81Å; K1383-E1386 VanDerWaalsContact O-N 3.11Å
1384T42.1Very low75.2Confident64 Ų6450.5 Ų50.539%0.39330%0.295SS..THydrogen-bonded Turntrans-50.4122.1174.849.90000110.6E1386T1384-E1386 VanDerWaalsContact C-N 3.32Å; T1384-E1386 PolarHBondContact O-N 2.86Å
1385E54.4Low75Confident189 Ų18949.1 Ų49.188%0.88329%0.286SS*.THydrogen-bonded Turntrans72.5-9.6-178.6-52.8-172.7154.400118.1K1383 Q1387K1383-E1385 PolarHBondContact O-N 3.12Å; E1385-Q1387 PolarHBondContact O-N 2.8Å
1386E62.1Low74.7Confident101 Ų10152.3 Ų52.347%0.47229%0.286SS..  trans-75.9109171.4-77.6-176.7178.200111K1383 T1384 L1388K1383-E1386 HydrophobicContact CB-CB 4.31Å; K1383-E1386 HydrophobicContact CB-CG 4.28Å; K1383-E1386 WeakPolarHBondContact CD-OE2 3.45Å; K1383-E1386 WeakPolarHBondContact CE-OE2 3.46Å; K1383-E1386 IonicContact NZ-OE1 2.66Å; K1383-E1386 PolarHBondContact NZ-OE1 3.28Å; K1383-E1386 IonicContact NZ-OE2 3.92Å; K1383-E1386 PolarHBondContact NZ-OE2 2.97Å; K1383-E1386 PolarHBondContact O-N 2.81Å; K1383-E1386 VanDerWaalsContact O-N 3.11Å; T1384-E1386 VanDerWaalsContact C-N 3.32Å; T1384-E1386 PolarHBondContact O-N 2.86Å; E1386-L1388 PolarHBondContact O-N 2.92Å
1387Q74.3Confident73.9Confident38 Ų3855.4 Ų55.418%0.17829%0.287CS..  trans-72.7122.7169.6-169.21798.200109.8W1371 I1372 E1373 E1385W1371-Q1387 HydrophobicContact CB-CG 4.14Å; I1372-Q1387 VanDerWaalsContact O-CG 3.29Å; I1372-Q1387 WeakPolarHBondContact O-CG 3.33Å; E1373-Q1387 VanDerWaalsContact CG-NE2 3.29Å; E1385-Q1387 PolarHBondContact O-N 2.8Å
1388L82.1Confident73.7Confident42 Ų4255.3 Ų55.322%0.2229%0.287CS..  trans-59.6145.9178.8-67.2176.1000111.4W1371 I1372 P1380 A1382 E1386 L1400 M1402W1371-L1388 CarbonylContact C-O 3.41Å; W1371-L1388 VanDerWaalsContact CA-O 3.26Å; W1371-L1388 WeakPolarHBondContact CA-O 3.26Å; I1372-L1388 HydrophobicContact CB-CB 4.36Å; I1372-L1388 PolarHBondContact N-O 2.94Å; P1380-L1388 HydrophobicContact CB-CD1 3.8Å; A1382-L1388 HydrophobicContact CB-CD2 4.05Å; A1382-L1388 HydrophobicContact CB-CG 4.21Å; E1386-L1388 PolarHBondContact O-N 2.92Å; L1388-L1400 HydrophobicContact CB-CD2 4.15Å; L1388-M1402 HydrophobicContact CD1-CB 3.95Å; L1388-M1402 HydrophobicContact CD1-CE 3.84Å; L1388-M1402 HydrophobicContact CD1-SD 4.11Å
1389Q84.2Confident73.7Confident111 Ų11160.7 Ų60.752%0.51931%0.307SS..EExtended strand (participates in β ladder)trans-130.7142174.869.9-177.81900111.5P1369 H1370P1369-Q1389 HydrophobicContact CB-CB 4.38Å; H1370-Q1389 CarbonylContact O-C 3.6Å; H1370-Q1389 WeakPolarHBondContact O-CA 3.4Å
1390L84.8Confident73.8Confident2 Ų259.8 Ų59.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-102.5120.5168.1176.670.3000108F1319 C1337 P1369 H1370 M1392 L1400F1319-L1390 HydrophobicContact CD1-CD2 4.34Å; F1319-L1390 HydrophobicContact CE1-CD2 3.71Å; C1337-L1390 HydrophobicContact CB-CD2 3.76Å; P1369-L1390 CarbonylContact C-O 3.5Å; P1369-L1390 VanDerWaalsContact CA-O 3.27Å; P1369-L1390 WeakPolarHBondContact CA-O 3.18Å; H1370-L1390 PolarHBondContact N-O 3Å; H1370-L1390 PolarHBondContact O-N 2.83Å; L1390-M1392 HydrophobicContact CD2-SD 3.85Å; L1390-M1392 HydrophobicContact CG-SD 4.18Å; L1390-L1400 HydrophobicContact CB-CB 4.43Å; L1390-L1400 HydrophobicContact CD1-CB 3.68Å
1391G80.8Confident74.2Confident38 Ų3861.5 Ų61.539%0.39231%0.308SS..  trans-72.4142.7169.600000110.7
1392M82.1Confident74.7Confident4 Ų458.9 Ų58.92%0.0229%0.292CS..  trans-120.2121.4-178.4-69.7-58.4-3800110.7C1337 T1339 V1364 D1367 H1368 L1390 N1398C1337-M1392 HydrophobicContact CB-CE 3.68Å; C1337-M1392 HydrophobicContact CB-SD 3.46Å; C1337-M1392 WeakPolarHBondContact CB-SD 3.22Å; T1339-M1392 HydrophobicContact CG2-CE 4.24Å; V1364-M1392 HydrophobicContact CG1-CB 4.18Å; V1364-M1392 HydrophobicContact CG1-CE 3.7Å; V1364-M1392 HydrophobicContact CG1-CG 3.56Å; V1364-M1392 HydrophobicContact CG1-SD 3.84Å; D1367-M1392 VanDerWaalsContact CA-O 3.27Å; D1367-M1392 WeakPolarHBondContact CA-O 3.14Å; D1367-M1392 PolarHBondContact N-O 2.86Å; H1368-M1392 WeakPolarHBondContact O-CB 3.35Å; H1368-M1392 WeakPolarHBondContact O-CG 3.3Å; L1390-M1392 HydrophobicContact CD2-SD 3.85Å; L1390-M1392 HydrophobicContact CG-SD 4.18Å; M1392-N1398 HydrophobicContact CE-CB 4.04Å; M1392-N1398 WeakPolarHBondContact CE-ND2 3.33Å; M1392-N1398 HydrophobicContact SD-CB 4.32Å
1393H83.6Confident75.7Confident72 Ų7258.4 Ų58.433%0.33328%0.284SS..  trans-138.1128168.3-52.2-75.2000108.8D1366 D1367 R1396 N1398D1366-H1393 VanDerWaalsContact OD1-CA 3.29Å; D1366-H1393 WeakPolarHBondContact OD1-CA 3.44Å; D1367-H1393 IonicContact OD1-CE1 2.67Å; D1367-H1393 PolarHBondContact OD1-CE1 2.86Å; D1367-H1393 IonicContact OD1-ND1 2.81Å; D1367-H1393 PolarHBondContact OD1-ND1 3.08Å; H1393-R1396 HydrophobicContact CB-CB 4.25Å; H1393-R1396 HydrophobicContact CB-CG 4.39Å; H1393-R1396 PolarHBondContact O-N 2.91Å; H1393-N1398 PolarHBondContact N-OD1 3.4Å; H1393-N1398 PolarHBondContact O-ND2 3.49Å; H1393-N1398 PolarHBondContact O-OD1 3.25Å; H1393-N1398 VanDerWaalsContact O-OD1 3.06Å
1394A80.1Confident77.4Confident14 Ų1456 Ų5612%0.11627%0.273CS..THydrogen-bonded Turntrans-61.6143.6-176.900000112.7Y1315 D1366 R1396Y1315-A1394 HydrophobicContact CD1-CB 4.02Å; Y1315-A1394 HydrophobicContact CD2-CB 3.84Å; Y1315-A1394 HydrophobicContact CE1-CB 3.67Å; Y1315-A1394 HydrophobicContact CE2-CB 3.46Å; Y1315-A1394 VanDerWaalsContact CE2-CB 3.46Å; Y1315-A1394 HydrophobicContact CG-CB 4.09Å; D1366-A1394 PolarHBondContact OD1-N 3.02Å; A1394-R1396 PolarHBondContact O-N 3.44Å; A1394-R1396 VanDerWaalsContact O-N 3.09Å
1395F77.6Confident79.4Confident11 Ų1158 Ų585%0.04827%0.274CS..THydrogen-bonded Turntrans62.212.2177.9-40.4-68000115.8L1042 R1045 Y1067 Y1315 T1339 D1340L1042-F1395 HydrophobicContact CB-CD2 4.34Å; L1042-F1395 HydrophobicContact CB-CE2 3.82Å; L1042-F1395 VanDerWaalsContact O-CE2 3.24Å; L1042-F1395 WeakPolarHBondContact O-CE2 3.16Å; L1042-F1395 WeakPolarHBondContact O-CZ 3.39Å; R1045-F1395 HydrophobicContact CG-CB 4Å; R1045-F1395 HydrophobicContact CG-CD1 4.26Å; R1045-F1395 HydrophobicContact CG-CG 4.28Å; Y1067-F1395 HydrophobicContact CD2-CE1 4.09Å; Y1315-F1395 HydrophobicContact CD1-CZ 4.22Å; Y1315-F1395 AromaticContact CE1-CE2 3.77Å; Y1315-F1395 HydrophobicContact CE1-CE2 3.77Å; Y1315-F1395 AromaticContact CE1-CZ 3.68Å; Y1315-F1395 HydrophobicContact CE1-CZ 3.68Å; T1339-F1395 PolarHBondContact OG1-N 3.43Å; D1340-F1395 HydrophobicContact CB-CD1 3.78Å; D1340-F1395 HydrophobicContact CB-CE1 4.21Å
1396R75.4Confident80.9Confident121 Ų12149.4 Ų49.446%0.45723%0.234SC..SBendtrans-108.7165.7174.3-68.8-179.2167.3170.3-4.8111D1028 H1393 A1394 N1398D1028-R1396 IonicContact OD2-NH2 3.18Å; H1393-R1396 HydrophobicContact CB-CB 4.25Å; H1393-R1396 HydrophobicContact CB-CG 4.39Å; H1393-R1396 PolarHBondContact O-N 2.91Å; A1394-R1396 PolarHBondContact O-N 3.44Å; A1394-R1396 VanDerWaalsContact O-N 3.09Å; R1396-N1398 PolarHBondContact O-N 3.04Å; R1396-N1398 PolarHBondContact O-ND2 3.27Å
1397E67.9Low81.8Confident113 Ų11351.1 Ų51.153%0.52824%0.24SC..  trans-76.656.7-172.4-59179.4-177.700112.7R1399E1397-R1399 WeakPolarHBondContact O-CB 3.41Å; E1397-R1399 VanDerWaalsContact O-CG 3.23Å; E1397-R1399 WeakPolarHBondContact O-CG 3.3Å; E1397-R1399 PolarHBondContact O-N 2.82Å; E1397-R1399 IonicContact OE2-CZ 2.72Å; E1397-R1399 IonicContact OE2-NH1 3.34Å; E1397-R1399 PolarHBondContact OE2-NH1 2.83Å; E1397-R1399 IonicContact OE2-NH2 2.65Å; E1397-R1399 PolarHBondContact OE2-NH2 2.87Å
1398N81Confident82.1Confident9 Ų951.8 Ų51.85%0.04825%0.245CC..  trans-53.791.5-173.2-66.9-53.5000113.1L1336 C1337 M1392 H1393 R1396L1336-N1398 CarbonylContact C-O 3.47Å; L1336-N1398 WeakPolarHBondContact CA-O 3.36Å; C1337-N1398 HydrophobicContact CB-CB 4.29Å; C1337-N1398 PolarHBondContact N-O 2.93Å; C1337-N1398 WeakPolarHBondContact O-CB 3.21Å; M1392-N1398 HydrophobicContact CE-CB 4.04Å; M1392-N1398 WeakPolarHBondContact CE-ND2 3.33Å; M1392-N1398 HydrophobicContact SD-CB 4.32Å; H1393-N1398 PolarHBondContact N-OD1 3.4Å; H1393-N1398 PolarHBondContact O-ND2 3.49Å; H1393-N1398 PolarHBondContact O-OD1 3.25Å; H1393-N1398 VanDerWaalsContact O-OD1 3.06Å; R1396-N1398 PolarHBondContact O-N 3.04Å; R1396-N1398 PolarHBondContact O-ND2 3.27Å
1399R84Confident81.9Confident114 Ų11455 Ų5543%0.4326%0.262SS..EExtended strand (participates in β ladder)trans-134.8140.7-171.567.9-166.3155.7-147.7-16.9113.8L1336 E1397L1336-R1399 HydrophobicContact CD2-CB 4.29Å; L1336-R1399 HydrophobicContact CG-CB 3.9Å; E1397-R1399 WeakPolarHBondContact O-CB 3.41Å; E1397-R1399 VanDerWaalsContact O-CG 3.23Å; E1397-R1399 WeakPolarHBondContact O-CG 3.3Å; E1397-R1399 PolarHBondContact O-N 2.82Å; E1397-R1399 IonicContact OE2-CZ 2.72Å; E1397-R1399 IonicContact OE2-NH1 3.34Å; E1397-R1399 PolarHBondContact OE2-NH1 2.83Å; E1397-R1399 IonicContact OE2-NH2 2.65Å; E1397-R1399 PolarHBondContact OE2-NH2 2.87Å
1400L86.4Confident81.5Confident30 Ų3054.8 Ų54.816%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-124.5115.2167.7176.268.5000109.3C1335 I1372 L1388 L1390 M1402C1335-L1400 PolarHBondContact N-O 2.84Å; C1335-L1400 PolarHBondContact O-N 2.82Å; I1372-L1400 HydrophobicContact CD1-CD2 3.53Å; L1388-L1400 HydrophobicContact CB-CD2 4.15Å; L1390-L1400 HydrophobicContact CB-CB 4.43Å; L1390-L1400 HydrophobicContact CD1-CB 3.68Å; L1400-M1402 HydrophobicContact CD2-SD 4.46Å
1401N87Confident81.3Confident65 Ų6560 Ų6035%0.34830%0.297SS..EExtended strand (participates in β ladder)trans-85.1113.9171.7-66.5-10000108.5R1334R1334-N1401 WeakPolarHBondContact CG-OD1 3.48Å
1402M83.9Confident81.2Confident7 Ų762.8 Ų62.83%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-128.6128.1179.963.7-175.6-79.300111L1333 I1372 T1374 P1380 L1388 L1400 V1404 L1417L1333-M1402 WeakPolarHBondContact CA-O 3.36Å; L1333-M1402 HydrophobicContact CB-CG 3.83Å; L1333-M1402 PolarHBondContact N-O 3.24Å; L1333-M1402 PolarHBondContact O-N 2.87Å; I1372-M1402 HydrophobicContact CD1-SD 4.23Å; T1374-M1402 HydrophobicContact CG2-CE 4.36Å; P1380-M1402 HydrophobicContact CB-CE 3.93Å; L1388-M1402 HydrophobicContact CD1-CB 3.95Å; L1388-M1402 HydrophobicContact CD1-CE 3.84Å; L1388-M1402 HydrophobicContact CD1-SD 4.11Å; L1400-M1402 HydrophobicContact CD2-SD 4.46Å; M1402-V1404 HydrophobicContact CE-CG1 3.89Å; M1402-L1417 HydrophobicContact CE-CD2 4.25Å
1403I85.1Confident81.2Confident29 Ų2963.2 Ų63.215%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-82.6137.4172.8-59168.4000107.7L375 F1326 P1380 V1381L375-I1403 HydrophobicContact CD1-CD1 3.73Å; F1326-I1403 HydrophobicContact CZ-CG2 4.16Å; P1380-I1403 WeakPolarHBondContact CA-O 3.42Å; V1381-I1403 HydrophobicContact CB-CB 4.17Å; V1381-I1403 HydrophobicContact CB-CG2 4.31Å; V1381-I1403 HydrophobicContact CG2-CB 4.19Å; V1381-I1403 HydrophobicContact CG2-CG2 3.82Å; V1381-I1403 PolarHBondContact N-O 2.87Å
1404V86.4Confident81.4Confident1 Ų161.4 Ų61.41%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-120143.1172.4-61.70000111.3E1330 A1331 L1333 L1378 V1379 M1402 L1444E1330-V1404 WeakPolarHBondContact CA-O 3.25Å; A1331-V1404 HydrophobicContact CB-CG2 4.3Å; A1331-V1404 PolarHBondContact N-O 2.9Å; A1331-V1404 PolarHBondContact O-N 2.74Å; L1333-V1404 HydrophobicContact CD1-CB 4.46Å; L1333-V1404 HydrophobicContact CD1-CG1 3.57Å; L1333-V1404 HydrophobicContact CD1-CG2 4.03Å; L1333-V1404 HydrophobicContact CD2-CG2 4.18Å; L1333-V1404 HydrophobicContact CG-CB 4.49Å; L1333-V1404 HydrophobicContact CG-CG1 3.89Å; L1333-V1404 HydrophobicContact CG-CG2 3.78Å; L1378-V1404 HydrophobicContact CB-CB 4.45Å; L1378-V1404 HydrophobicContact CD2-CG2 4.35Å; V1379-V1404 CarbonylContact O-C 3.29Å; V1379-V1404 VanDerWaalsContact O-CA 3.23Å; V1379-V1404 WeakPolarHBondContact O-CA 3.18Å; M1402-V1404 HydrophobicContact CE-CG1 3.89Å; V1404-L1444 HydrophobicContact CG2-CD2 4.26Å
1405R84.3Confident81.6Confident107 Ų10760.9 Ų60.940%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-107.5142.1171-165.2176.6-179.8-170.40.9110.6E1329 E1330 V1379 V1381E1329-R1405 HydrophobicContact CB-CG 4.39Å; E1329-R1405 CarbonylContact O-C 3.27Å; E1329-R1405 VanDerWaalsContact O-CA 3.23Å; E1329-R1405 WeakPolarHBondContact O-CA 3.28Å; E1329-R1405 WeakPolarHBondContact O-CG 3.12Å; E1329-R1405 IonicContact OE2-CZ 2.75Å; E1329-R1405 IonicContact OE2-NE 3.78Å; E1329-R1405 PolarHBondContact OE2-NE 3.32Å; E1329-R1405 IonicContact OE2-NH2 3.19Å; E1329-R1405 PolarHBondContact OE2-NH2 2.87Å; E1330-R1405 HydrophobicContact CG-CB 4.45Å; E1330-R1405 HydrophobicContact CG-CG 4.16Å; V1379-R1405 PolarHBondContact N-O 2.52Å; V1379-R1405 PolarHBondContact O-N 2.7Å; V1381-R1405 HydrophobicContact CG2-CB 4.38Å
1406V85.1Confident82.1Confident8 Ų865.1 Ų65.15%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-74128.5169.6-175.90000108.7E1329 N1377 L1378 A1413 L1444E1329-V1406 PolarHBondContact O-N 2.97Å; N1377-V1406 CarbonylContact O-C 3.55Å; N1377-V1406 WeakPolarHBondContact O-CA 3.43Å; L1378-V1406 HydrophobicContact CD2-CG2 4.05Å; V1406-A1413 HydrophobicContact CG2-CB 3.98Å; V1406-L1444 HydrophobicContact CG2-CD1 3.96Å
1407K81.1Confident82.7Confident137 Ų13759.4 Ų59.460%0.59630%0.299SS*.SBendtrans-78.1-37.8-171.3-137.6168.9-168.9163.30112.7G1376 N1377 V1379G1376-K1407 WeakPolarHBondContact O-CD 3.45Å; G1376-K1407 PolarHBondContact O-NZ 2.76Å; N1377-K1407 PolarHBondContact O-N 2.96Å; N1377-K1407 WeakPolarHBondContact OD1-CA 3.39Å; N1377-K1407 WeakPolarHBondContact OD1-CB 3.41Å; N1377-K1407 PolarHBondContact OD1-N 2.66Å; V1379-K1407 HydrophobicContact CG2-CB 4.27Å; V1379-K1407 HydrophobicContact CG2-CD 3.5Å; V1379-K1407 VanDerWaalsContact CG2-CD 3.5Å; V1379-K1407 VanDerWaalsContact CG2-CE 3.42Å; V1379-K1407 HydrophobicContact CG2-CG 3.65Å
1408D80.8Confident83.7Confident53 Ų5354.8 Ų54.828%0.28328%0.28SS..  trans-144112.8-176.3176.8-2000108.2N1377 S1410 Q1411N1377-D1408 PolarHBondContact ND2-O 2.86Å; N1377-D1408 PolarHBondContact OD1-N 2.76Å; N1377-D1408 PolarHBondContact OD1-O 3.06Å; D1408-S1410 VanDerWaalsContact CG-OG 3.26Å; D1408-S1410 PolarHBondContact O-N 2.98Å; D1408-S1410 WeakPolarHBondContact OD1-CA 3.22Å; D1408-S1410 VanDerWaalsContact OD1-CB 3.31Å; D1408-S1410 WeakPolarHBondContact OD1-CB 3.29Å; D1408-S1410 PolarHBondContact OD1-N 3.17Å; D1408-S1410 PolarHBondContact OD1-OG 3.1Å; D1408-S1410 PolarHBondContact OD2-OG 3.25Å; D1408-Q1411 HydrophobicContact CB-CB 4.32Å; D1408-Q1411 PolarHBondContact O-N 3Å; D1408-Q1411 WeakPolarHBondContact OD2-CG 3.28Å; D1408-Q1411 PolarHBondContact OD2-NE2 2.72Å
1409L79.1Confident84.1Confident109 Ų10954.4 Ų54.457%0.57128%0.278SS*.THydrogen-bonded Turntrans-69.4-13.6179.1-77.1167.9000113.7E1329E1329-L1409 HydrophobicContact CG-CD1 3.84Å; E1329-L1409 HydrophobicContact CG-CD2 3.9Å; E1329-L1409 HydrophobicContact CG-CG 4.09Å
1410S75.4Confident84.1Confident106 Ų10649.4 Ų49.474%0.74126%0.259SS*.THydrogen-bonded Turntrans-84.7-14.9174.376.40000113.2D1408D1408-S1410 VanDerWaalsContact CG-OG 3.26Å; D1408-S1410 PolarHBondContact O-N 2.98Å; D1408-S1410 WeakPolarHBondContact OD1-CA 3.22Å; D1408-S1410 VanDerWaalsContact OD1-CB 3.31Å; D1408-S1410 WeakPolarHBondContact OD1-CB 3.29Å; D1408-S1410 PolarHBondContact OD1-N 3.17Å; D1408-S1410 PolarHBondContact OD1-OG 3.1Å; D1408-S1410 PolarHBondContact OD2-OG 3.25Å
1411Q79.5Confident83.8Confident112 Ų11252.6 Ų52.652%0.52327%0.27SS..SBendtrans-100152.3173.5-75.6-179.168.500110.9N1377 D1408N1377-Q1411 WeakPolarHBondContact ND2-CB 3.37Å; N1377-Q1411 PolarHBondContact ND2-O 2.73Å; N1377-Q1411 VanDerWaalsContact ND2-O 3.09Å; D1408-Q1411 HydrophobicContact CB-CB 4.32Å; D1408-Q1411 PolarHBondContact O-N 3Å; D1408-Q1411 WeakPolarHBondContact OD2-CG 3.28Å; D1408-Q1411 PolarHBondContact OD2-NE2 2.72Å
1412P79Confident83.4Confident96 Ų9651.4 Ų51.462%0.62326%0.262SS*.  trans-59.6146177.826.1-35.4000111.2N1377 V1414N1377-P1412 PolarHBondContact ND2-O 2.83Å; P1412-V1414 HydrophobicContact CB-CG2 4.17Å; P1412-V1414 PolarHBondContact O-N 3.1Å
1413A83.4Confident83Confident14 Ų1452.7 Ų52.712%0.11627%0.271CS..SBendtrans-75.462.6-175.500000112.5V1406 L1444V1406-A1413 HydrophobicContact CG2-CB 3.98Å; A1413-L1444 HydrophobicContact CB-CB 4.1Å; A1413-L1444 HydrophobicContact CB-CD1 4.22Å; A1413-L1444 HydrophobicContact CB-CG 4.33Å; A1413-L1444 PolarHBondContact O-N 3.46Å
1414V86.1Confident82.4Confident34 Ų3456.4 Ų56.421%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-126.2132.3-171.5179.20000110.6N1377 P1412 E1441 A1442 K1443N1377-V1414 WeakPolarHBondContact CA-O 3.43Å; N1377-V1414 WeakPolarHBondContact CB-O 3.41Å; N1377-V1414 PolarHBondContact N-O 3.18Å; P1412-V1414 HydrophobicContact CB-CG2 4.17Å; P1412-V1414 PolarHBondContact O-N 3.1Å; V1414-E1441 HydrophobicContact CG1-CG 3.71Å; V1414-E1441 WeakPolarHBondContact CG1-OE1 3.31Å; V1414-A1442 WeakPolarHBondContact CA-O 3.32Å; V1414-K1443 HydrophobicContact CG2-CB 4.08Å; V1414-K1443 HydrophobicContact CG2-CG 3.87Å
1415G85.1Confident81.5Confident2 Ų259.7 Ų59.72%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-143.7161.4176.700000112.4A1375 A1442A1375-G1415 CarbonylContact O-C 3.48Å; A1375-G1415 VanDerWaalsContact O-CA 3.31Å; A1375-G1415 WeakPolarHBondContact O-CA 3.35Å; G1415-A1442 PolarHBondContact N-O 3.33Å; G1415-A1442 PolarHBondContact O-N 3.44Å
1416K88.2Confident80.7Confident100 Ų10057.2 Ų57.244%0.43531%0.307SS..EExtended strand (participates in β ladder)trans-108127179-57.7-168.6-175.8-133.10109.7T1374 A1375 V1439 L1440 E1441T1374-K1416 CarbonylContact C-O 3.58Å; T1374-K1416 WeakPolarHBondContact CA-O 3.41Å; A1375-K1416 HydrophobicContact CB-CB 4.47Å; A1375-K1416 PolarHBondContact N-O 2.99Å; A1375-K1416 PolarHBondContact O-N 3.41Å; K1416-V1439 HydrophobicContact CB-CG1 4.13Å; K1416-L1440 CarbonylContact C-O 3.37Å; K1416-L1440 VanDerWaalsContact CA-O 3.31Å; K1416-L1440 WeakPolarHBondContact CA-O 3.08Å; K1416-E1441 WeakPolarHBondContact CE-OE2 3.48Å; K1416-E1441 HydrophobicContact CG-CG 4.46Å; K1416-E1441 IonicContact NZ-OE2 3.78Å; K1416-E1441 PolarHBondContact NZ-OE2 2.99Å
1417L88.1Confident79.7Confident1 Ų158.2 Ų58.21%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-107.8108.9179.3-57174.5000108.1V1321 L1333 T1374 M1402 F1419 V1439 L1440 A1442V1321-L1417 HydrophobicContact CG1-CD1 4.01Å; V1321-L1417 HydrophobicContact CG2-CD1 4Å; L1333-L1417 HydrophobicContact CD1-CD1 3.82Å; T1374-L1417 HydrophobicContact CG2-CD2 3.62Å; M1402-L1417 HydrophobicContact CE-CD2 4.25Å; L1417-F1419 HydrophobicContact CB-CE2 4.13Å; L1417-V1439 CarbonylContact O-C 3.56Å; L1417-V1439 WeakPolarHBondContact O-CA 3.44Å; L1417-L1440 PolarHBondContact N-O 2.93Å; L1417-L1440 PolarHBondContact O-N 3.06Å; L1417-A1442 HydrophobicContact CD1-CB 4Å; L1417-A1442 HydrophobicContact CG-CB 4.35Å
1418A88.2Confident78.9Confident16 Ų1658.6 Ų58.613%0.13232%0.315CS..EExtended strand (participates in β ladder)trans-101.1120.4179.600000109.9I1372 E1373 P1436 T1438 V1439I1372-A1418 WeakPolarHBondContact CA-O 3.02Å; E1373-A1418 HydrophobicContact CB-CB 4.35Å; E1373-A1418 PolarHBondContact N-O 3.26Å; E1373-A1418 PolarHBondContact O-N 3.06Å; A1418-P1436 HydrophobicContact CB-CB 4.22Å; A1418-T1438 WeakPolarHBondContact CA-O 3.32Å; A1418-V1439 HydrophobicContact CB-CG1 4.39Å; A1418-V1439 HydrophobicContact CB-CG2 3.94Å
1419F89.1Confident77.8Confident1 Ų160.7 Ų60.70%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-93126.5178.3-64.3-97.2000109F1319 C1335 W1371 I1372 L1417 P1436 A1437 T1438 L1440F1319-F1419 HydrophobicContact CB-CE2 4.4Å; F1319-F1419 HydrophobicContact CB-CZ 4.49Å; F1319-F1419 AromaticContact CD1-CD1 3.35Å; F1319-F1419 HydrophobicContact CD1-CD1 3.35Å; F1319-F1419 HydrophobicContact CD1-CD2 4.23Å; F1319-F1419 AromaticContact CD1-CE1 3.38Å; F1319-F1419 HydrophobicContact CD1-CE1 3.38Å; F1319-F1419 HydrophobicContact CD1-CE2 4.27Å; F1319-F1419 AromaticContact CD1-CG 3.79Å; F1319-F1419 HydrophobicContact CD1-CG 3.79Å; F1319-F1419 AromaticContact CD1-CZ 3.86Å; F1319-F1419 HydrophobicContact CD1-CZ 3.86Å; F1319-F1419 HydrophobicContact CE1-CB 4.41Å; F1319-F1419 AromaticContact CE1-CD1 3.39Å; F1319-F1419 HydrophobicContact CE1-CD1 3.39Å; F1319-F1419 AromaticContact CE1-CE1 3.78Å; F1319-F1419 HydrophobicContact CE1-CE1 3.78Å; F1319-F1419 AromaticContact CE1-CG 3.99Å; F1319-F1419 HydrophobicContact CE1-CG 3.99Å; F1319-F1419 HydrophobicContact CG-CD1 4.31Å; F1319-F1419 HydrophobicContact CG-CD2 4.5Å; F1319-F1419 HydrophobicContact CG-CE1 4.41Å; F1319-F1419 HydrophobicContact CG-CG 4.35Å; F1319-F1419 HydrophobicContact CZ-CD1 4.4Å; C1335-F1419 HydrophobicContact CB-CE1 4.48Å; C1335-F1419 HydrophobicContact CB-CZ 4.42Å; W1371-F1419 CarbonylContact O-C 3.55Å; W1371-F1419 WeakPolarHBondContact O-CA 3.48Å; I1372-F1419 HydrophobicContact CD1-CD1 4Å; I1372-F1419 HydrophobicContact CD1-CE1 3.47Å; I1372-F1419 VanDerWaalsContact CD1-CE1 3.47Å; I1372-F1419 HydrophobicContact CD1-CZ 4.22Å; I1372-F1419 HydrophobicContact CG1-CD1 3.8Å; I1372-F1419 HydrophobicContact CG1-CE1 3.83Å; L1417-F1419 HydrophobicContact CB-CE2 4.13Å; F1419-P1436 CarbonylContact O-C 3.58Å; F1419-A1437 WeakPolarHBondContact O-CB 3.48Å; F1419-A1437 PolarHBondContact O-N 3.42Å; F1419-T1438 HydrophobicContact CB-CG2 4.19Å; F1419-T1438 HydrophobicContact CD2-CG2 3.74Å; F1419-T1438 HydrophobicContact CG-CG2 4.25Å; F1419-T1438 PolarHBondContact N-O 3.14Å; F1419-L1440 HydrophobicContact CE2-CD1 3.81Å; F1419-L1440 HydrophobicContact CE2-CG 4.04Å
1420M84.9Confident76.6Confident9 Ų958.1 Ų58.14%0.04433%0.329CS..EExtended strand (participates in β ladder)trans-117.5135.4-170.2-55.9-59.5-77.700110.5W1371 E1373 H1422 L1427 P1436W1371-M1420 HydrophobicContact CB-CB 4.32Å; W1371-M1420 PolarHBondContact N-O 2.92Å; W1371-M1420 PolarHBondContact O-N 2.87Å; E1373-M1420 HydrophobicContact CG-CG 3.93Å; M1420-H1422 WeakPolarHBondContact CB-O 3.28Å; M1420-H1422 PolarHBondContact O-N 2.95Å; M1420-L1427 HydrophobicContact CE-CD1 3.39Å; M1420-P1436 HydrophobicContact SD-CB 3.6Å; M1420-P1436 VanDerWaalsContact SD-CB 3.6Å
1421R80.9Confident75.5Confident98 Ų9856.8 Ų56.837%0.3733%0.332SS..SBendtrans-73.5-11.2175.5-71.1-176172.1-173.5-4.2114.2E1363 W1371 A1437E1363-R1421 PolarHBondContact O-NH2 3.27Å; E1363-R1421 IonicContact OE2-CZ 3.88Å; E1363-R1421 IonicContact OE2-NH1 3.68Å; E1363-R1421 PolarHBondContact OE2-NH1 3.31Å; E1363-R1421 IonicContact OE2-NH2 3.75Å; E1363-R1421 PolarHBondContact OE2-NH2 2.84Å; W1371-R1421 VanDerWaalsContact CZ3-O 3.24Å; W1371-R1421 WeakPolarHBondContact CZ3-O 3.47Å; R1421-A1437 HydrophobicContact CG-CB 4.25Å
1422H77.5Confident74.1Confident39 Ų3954.3 Ų54.318%0.18133%0.327CS..SBendtrans-143.7153.4-176.8-60.9-37.3000110.7R1191 W1371 M1420 L1427R1191-H1422 PolarHBondContact NE-CE1 2.79Å; R1191-H1422 PolarHBondContact NE-NE2 2.82Å; W1371-H1422 VanDerWaalsContact CE3-C 3.48Å; M1420-H1422 WeakPolarHBondContact CB-O 3.28Å; M1420-H1422 PolarHBondContact O-N 2.95Å; H1422-L1427 HydrophobicContact CB-CD2 3.89Å
1423P76.4Confident72.9Confident35 Ų3556.2 Ų56.223%0.22734%0.339CS..  trans-74.5147.8178.230-33.9000111.9W1371 A1425 V1426 L1427W1371-P1423 HydrophobicContact CD2-CB 4.09Å; W1371-P1423 HydrophobicContact CG-CB 4.22Å; W1371-P1423 HydrophobicContact CZ2-CB 4.34Å; W1371-P1423 HydrophobicContact CZ2-CG 4.11Å; P1423-A1425 PolarHBondContact O-N 3.1Å; P1423-A1425 VanDerWaalsContact O-N 3.08Å; P1423-V1426 HydrophobicContact CG-CB 4.26Å; P1423-V1426 HydrophobicContact CG-CG2 3.83Å; P1423-V1426 WeakPolarHBondContact O-CB 3.45Å; P1423-V1426 PolarHBondContact O-N 3.09Å; P1423-L1427 PolarHBondContact O-N 2.99Å
1424R72.9Confident71.9Confident107 Ų10757.6 Ų57.640%0.40435%0.346SS..Hα-helixtrans-48.9-38.7-177.8179.9-176.7-65.7154.52.2113.7E1373 V1426 L1427 Q1428E1373-R1424 IonicContact OE1-CZ 2.7Å; E1373-R1424 IonicContact OE1-NE 2.86Å; E1373-R1424 PolarHBondContact OE1-NE 3.07Å; E1373-R1424 IonicContact OE1-NH2 3.17Å; E1373-R1424 PolarHBondContact OE1-NH2 3.31Å; R1424-V1426 VanDerWaalsContact C-N 3.34Å; R1424-V1426 PolarHBondContact O-N 3.04Å; R1424-L1427 WeakPolarHBondContact O-CB 3.35Å; R1424-L1427 PolarHBondContact O-N 2.88Å; R1424-Q1428 HydrophobicContact CG-CG 4.35Å; R1424-Q1428 WeakPolarHBondContact O-CG 3.26Å; R1424-Q1428 PolarHBondContact O-N 3.12Å
1425A67.6Low71.2Confident69 Ų6964.6 Ų64.657%0.5737%0.374SS*.Hα-helixtrans-61.3-40.1178.200000112.6P1423 S1429P1423-A1425 PolarHBondContact O-N 3.1Å; P1423-A1425 VanDerWaalsContact O-N 3.08Å; A1425-S1429 PolarHBondContact O-N 3.21Å
1426V66Low71Confident56 Ų5666.5 Ų66.534%0.33939%0.386SS..Hα-helixtrans-66.5-42.4174.7171.60000110P1423 R1424 Q1428 S1429 A1430P1423-V1426 HydrophobicContact CG-CB 4.26Å; P1423-V1426 HydrophobicContact CG-CG2 3.83Å; P1423-V1426 WeakPolarHBondContact O-CB 3.45Å; P1423-V1426 PolarHBondContact O-N 3.09Å; R1424-V1426 VanDerWaalsContact C-N 3.34Å; R1424-V1426 PolarHBondContact O-N 3.04Å; V1426-Q1428 PolarHBondContact O-N 2.84Å; V1426-S1429 WeakPolarHBondContact CA-OG 3.5Å; V1426-S1429 PolarHBondContact O-N 3.33Å; V1426-S1429 VanDerWaalsContact O-N 3.14Å; V1426-S1429 PolarHBondContact O-OG 3.21Å; V1426-A1430 WeakPolarHBondContact O-CB 3.23Å; V1426-A1430 PolarHBondContact O-N 3.4Å
1427L64.4Low70.5Confident28 Ų2863 Ų6315%0.14738%0.375CS..Hα-helixtrans-61.2-43.7178.3-52.8-174.7000112.2M1420 H1422 P1423 R1424 S1429 A1430 V1434M1420-L1427 HydrophobicContact CE-CD1 3.39Å; H1422-L1427 HydrophobicContact CB-CD2 3.89Å; P1423-L1427 PolarHBondContact O-N 2.99Å; R1424-L1427 WeakPolarHBondContact O-CB 3.35Å; R1424-L1427 PolarHBondContact O-N 2.88Å; L1427-S1429 VanDerWaalsContact C-N 3.32Å; L1427-S1429 PolarHBondContact O-N 2.92Å; L1427-A1430 PolarHBondContact O-N 3.48Å; L1427-V1434 HydrophobicContact CD2-CB 3.63Å; L1427-V1434 HydrophobicContact CD2-CG1 4.02Å; L1427-V1434 HydrophobicContact CD2-CG2 3.61Å
1428Q65.6Low70.5Confident145 Ų14563.5 Ų63.568%0.67838%0.378SS*.Hα-helixtrans-63.9-35.8175-72.4172.3-21.300112.1R1424 V1426R1424-Q1428 HydrophobicContact CG-CG 4.35Å; R1424-Q1428 WeakPolarHBondContact O-CG 3.26Å; R1424-Q1428 PolarHBondContact O-N 3.12Å; V1426-Q1428 PolarHBondContact O-N 2.84Å
1429S56.4Low70.5Confident97 Ų9766.2 Ų66.268%0.67839%0.393SS*.Hα-helixtrans-74.9-25176.275.60000114.4A1425 V1426 L1427A1425-S1429 PolarHBondContact O-N 3.21Å; V1426-S1429 WeakPolarHBondContact CA-OG 3.5Å; V1426-S1429 PolarHBondContact O-N 3.33Å; V1426-S1429 VanDerWaalsContact O-N 3.14Å; V1426-S1429 PolarHBondContact O-OG 3.21Å; L1427-S1429 VanDerWaalsContact C-N 3.32Å; L1427-S1429 PolarHBondContact O-N 2.92Å
1430A54.8Low70.6Confident56 Ų5666.5 Ų66.546%0.46340%0.395SS..Hα-helixtrans-82-20.9-174.500000113.9V1426 L1427 S1432V1426-A1430 WeakPolarHBondContact O-CB 3.23Å; V1426-A1430 PolarHBondContact O-N 3.4Å; L1427-A1430 PolarHBondContact O-N 3.48Å; A1430-S1432 PolarHBondContact O-N 3.04Å; A1430-S1432 VanDerWaalsContact O-N 3.12Å
1431G51.9Low70.7Confident78 Ų7871.2 Ų71.280%0.80442%0.417SS*.  trans68.43.8178.600000115.6
1432S50.2Low71Confident60 Ų6066.6 Ų66.642%0.4240%0.399SS..SBendtrans-115.5143.9-179.259.10000111.9A1430 V1434A1430-S1432 PolarHBondContact O-N 3.04Å; A1430-S1432 VanDerWaalsContact O-N 3.12Å; S1432-V1434 PolarHBondContact O-N 2.78Å
1433P53.2Low71.5Confident135 Ų13569.9 Ų69.988%0.87741%0.413SS*.  trans-77.590.1-179.731.1-34.4000111.2K1435P1433-K1435 PolarHBondContact O-N 2.68Å
1434V62.8Low71.9Confident44 Ų4468.2 Ų68.227%0.26740%0.402SS..PPolyproline II helixtrans-70.6127.7174.9178.50000110.4L1427 S1432L1427-V1434 HydrophobicContact CD2-CB 3.63Å; L1427-V1434 HydrophobicContact CD2-CG1 4.02Å; L1427-V1434 HydrophobicContact CD2-CG2 3.61Å; S1432-V1434 PolarHBondContact O-N 2.78Å
1435K71Confident72.2Confident181 Ų18163.5 Ų63.579%0.78739%0.386SS*.PPolyproline II helixtrans-73.3137.4-179.5-169.7-171.7174.4-172.30111P1433P1433-K1435 PolarHBondContact O-N 2.68Å
1436P80.1Confident72.3Confident42 Ų4265.9 Ų65.927%0.27339%0.388SS..PPolyproline II helixtrans-60.1147.6167.824.6-33.6000111.5A1418 F1419 M1420 V1439A1418-P1436 HydrophobicContact CB-CB 4.22Å; F1419-P1436 CarbonylContact O-C 3.58Å; M1420-P1436 HydrophobicContact SD-CB 3.6Å; M1420-P1436 VanDerWaalsContact SD-CB 3.6Å; P1436-V1439 HydrophobicContact CB-CG2 3.78Å; P1436-V1439 HydrophobicContact CG-CG2 3.44Å; P1436-V1439 VanDerWaalsContact CG-CG2 3.44Å
1437A78.8Confident72.2Confident25 Ų2569.6 Ų69.621%0.20740%0.402CS..SBendtrans-66.5-42.7175.600000111.2I1362 F1419 R1421I1362-A1437 HydrophobicContact CD1-CB 3.7Å; F1419-A1437 WeakPolarHBondContact O-CB 3.48Å; F1419-A1437 PolarHBondContact O-N 3.42Å; R1421-A1437 HydrophobicContact CG-CB 4.25Å
1438T87.5Confident72.2Confident12 Ų1272.9 Ų72.97%0.07442%0.42CS..EExtended strand (participates in β ladder)trans-153159.8165.9-170.60000110.8F1319 I1362 A1418 F1419 L1440F1319-T1438 HydrophobicContact CB-CG2 4.11Å; F1319-T1438 HydrophobicContact CD2-CG2 4.14Å; F1319-T1438 HydrophobicContact CG-CG2 4.17Å; I1362-T1438 HydrophobicContact CD1-CG2 4.17Å; A1418-T1438 WeakPolarHBondContact CA-O 3.32Å; F1419-T1438 HydrophobicContact CB-CG2 4.19Å; F1419-T1438 HydrophobicContact CD2-CG2 3.74Å; F1419-T1438 HydrophobicContact CG-CG2 4.25Å; F1419-T1438 PolarHBondContact N-O 3.14Å; T1438-L1440 HydrophobicContact CG2-CD2 4.25Å; T1438-L1440 HydrophobicContact CG2-CG 4.39Å
1439V89Confident71.5Confident73 Ų7367.3 Ų67.344%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-131.8117.6175-174.20000108.7K1416 L1417 A1418 P1436K1416-V1439 HydrophobicContact CB-CG1 4.13Å; L1417-V1439 CarbonylContact O-C 3.56Å; L1417-V1439 WeakPolarHBondContact O-CA 3.44Å; A1418-V1439 HydrophobicContact CB-CG1 4.39Å; A1418-V1439 HydrophobicContact CB-CG2 3.94Å; P1436-V1439 HydrophobicContact CB-CG2 3.78Å; P1436-V1439 HydrophobicContact CG-CG2 3.44Å; P1436-V1439 VanDerWaalsContact CG-CG2 3.44Å
1440L89.9Confident70.8Confident8 Ų868.5 Ų68.54%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-107.9137.1-176.3-52.3-173.5000110.5F1319 V1321 A1357 K1416 L1417 F1419 T1438F1319-L1440 HydrophobicContact CB-CD1 4.06Å; F1319-L1440 WeakPolarHBondContact O-CD1 3.21Å; V1321-L1440 HydrophobicContact CG2-CD1 3.78Å; A1357-L1440 HydrophobicContact CB-CB 4.07Å; K1416-L1440 CarbonylContact C-O 3.37Å; K1416-L1440 VanDerWaalsContact CA-O 3.31Å; K1416-L1440 WeakPolarHBondContact CA-O 3.08Å; L1417-L1440 PolarHBondContact N-O 2.93Å; L1417-L1440 PolarHBondContact O-N 3.06Å; F1419-L1440 HydrophobicContact CE2-CD1 3.81Å; F1419-L1440 HydrophobicContact CE2-CG 4.04Å; T1438-L1440 HydrophobicContact CG2-CD2 4.25Å; T1438-L1440 HydrophobicContact CG2-CG 4.39Å
1441E88.5Confident69.8Low108 Ų10867.7 Ų67.751%0.50538%0.379SS..EExtended strand (participates in β ladder)trans-96.4109.9174.2-167.3155.2156.400109.6V1414 K1416V1414-E1441 HydrophobicContact CG1-CG 3.71Å; V1414-E1441 WeakPolarHBondContact CG1-OE1 3.31Å; K1416-E1441 WeakPolarHBondContact CE-OE2 3.48Å; K1416-E1441 HydrophobicContact CG-CG 4.46Å; K1416-E1441 IonicContact NZ-OE2 3.78Å; K1416-E1441 PolarHBondContact NZ-OE2 2.99Å
1442A86.1Confident68.6Low0 Ų067.6 Ų67.60%036%0.355CS..EExtended strand (participates in β ladder)trans-97.6108.3-176.100000109.7I1356 L1378 V1414 G1415 L1417I1356-A1442 HydrophobicContact CD1-CB 3.63Å; L1378-A1442 HydrophobicContact CD1-CB 4.02Å; L1378-A1442 VanDerWaalsContact CD1-O 3.32Å; L1378-A1442 WeakPolarHBondContact CD1-O 3.4Å; V1414-A1442 WeakPolarHBondContact CA-O 3.32Å; G1415-A1442 PolarHBondContact N-O 3.33Å; G1415-A1442 PolarHBondContact O-N 3.44Å; L1417-A1442 HydrophobicContact CD1-CB 4Å; L1417-A1442 HydrophobicContact CG-CB 4.35Å
1443K87.3Confident67.5Low108 Ų10870.6 Ų70.647%0.4737%0.37SS..EExtended strand (participates in β ladder)trans-93.3125.7165.7-173.5-157.4170-164.80108.7I1356 V1414 D1446I1356-K1443 VanDerWaalsContact CB-O 3.29Å; I1356-K1443 WeakPolarHBondContact CB-O 3.41Å; I1356-K1443 WeakPolarHBondContact CD1-O 3.46Å; I1356-K1443 VanDerWaalsContact CG2-O 3.31Å; I1356-K1443 WeakPolarHBondContact CG2-O 3.38Å; V1414-K1443 HydrophobicContact CG2-CB 4.08Å; V1414-K1443 HydrophobicContact CG2-CG 3.87Å; K1443-D1446 WeakPolarHBondContact CE-OD2 3.14Å; K1443-D1446 IonicContact NZ-OD2 2.84Å; K1443-D1446 PolarHBondContact NZ-OD2 3.19Å
1444L85.4Confident66.3Low1 Ų166.4 Ų66.41%0.00535%0.352CS..PPolyproline II helixtrans-69.6151.5173-62.6-175.4000111.9A1323 A1331 L1333 I1356 L1378 V1404 V1406 A1413A1323-L1444 HydrophobicContact CB-CD2 4.06Å; A1331-L1444 HydrophobicContact CB-CD1 3.67Å; A1331-L1444 HydrophobicContact CB-CD2 3.63Å; A1331-L1444 HydrophobicContact CB-CG 4.26Å; L1333-L1444 HydrophobicContact CD2-CD2 3.89Å; I1356-L1444 HydrophobicContact CD1-CD2 4.3Å; L1378-L1444 HydrophobicContact CD1-CD2 4.15Å; L1378-L1444 HydrophobicContact CD1-CG 4.11Å; L1378-L1444 HydrophobicContact CD2-CD1 3.66Å; L1378-L1444 HydrophobicContact CD2-CG 3.88Å; V1404-L1444 HydrophobicContact CG2-CD2 4.26Å; V1406-L1444 HydrophobicContact CG2-CD1 3.96Å; A1413-L1444 HydrophobicContact CB-CB 4.1Å; A1413-L1444 HydrophobicContact CB-CD1 4.22Å; A1413-L1444 HydrophobicContact CB-CG 4.33Å; A1413-L1444 PolarHBondContact O-N 3.46Å
1445P79.6Confident64.6Low8 Ų866 Ų665%0.05236%0.357CS..PPolyproline II helixtrans-55.6146.7170.1-27.237.6000112A1323 R1325 Q1354 I1356A1323-P1445 HydrophobicContact CB-CG 4.43Å; R1325-P1445 HydrophobicContact CB-CB 4.41Å; R1325-P1445 WeakPolarHBondContact CD-O 3.22Å; R1325-P1445 PolarHBondContact NH1-O 3.13Å; Q1354-P1445 HydrophobicContact CB-CG 4.15Å; Q1354-P1445 HydrophobicContact CG-CG 4.46Å; Q1354-P1445 VanDerWaalsContact OE1-CB 3.3Å; I1356-P1445 HydrophobicContact CG2-CG 4.2Å
1446D70.2Confident62.5Low118 Ų11861.5 Ų61.563%0.63134%0.341SS*.SBendtrans-84.2-17.5172.8-63.2-54.6000112K1443K1443-D1446 WeakPolarHBondContact CE-OD2 3.14Å; K1443-D1446 IonicContact NZ-OD2 2.84Å; K1443-D1446 PolarHBondContact NZ-OD2 3.19Å
1447E64.1Low60Low134 Ų13464.9 Ų64.963%0.62636%0.356SS*.SBendtrans-86.4145.6174.9-61.6177.4151.800112.6Q1354Q1354-E1447 PolarHBondContact NE2-OE2 2.8Å
1448L63.9Low57.6Low98 Ų9869.1 Ų69.151%0.51337%0.37SS..  trans-96.6135.8171.1-69.9165000109.6R1325 P1328R1325-L1448 HydrophobicContact CG-CD2 4.05Å; P1328-L1448 HydrophobicContact CG-CD1 4.49Å
1449T51.2Low54.8Low28 Ų2874.4 Ų74.417%0.17240%0.402CS..  trans-100.395.6-164.649.50000114.3R1324 R1325 Y1451R1324-T1449 HydrophobicContact CG-CG2 4.18Å; R1324-T1449 WeakPolarHBondContact CG-OG1 3.28Å; R1324-T1449 PolarHBondContact NE-OG1 3.4Å; R1324-T1449 PolarHBondContact NH2-O 2.92Å; R1325-T1449 PolarHBondContact O-N 2.74Å; R1325-T1449 VanDerWaalsContact O-N 3.16Å; R1325-T1449 PolarHBondContact O-OG1 3.01Å; T1449-Y1451 PolarHBondContact O-N 2.73Å
1450D41.3Very low51.9Low121 Ų12176.5 Ų76.565%0.64742%0.415SS*.  trans-41.1120.2179.9-95.24.5000114.9M441 R1324 R1452M441-D1450 HydrophobicContact CE-CB 3.85Å; M441-D1450 VanDerWaalsContact CE-OD1 3.26Å; M441-D1450 WeakPolarHBondContact CE-OD1 3.43Å; M441-D1450 WeakPolarHBondContact CE-OD2 3.25Å; R1324-D1450 PolarHBondContact NH2-O 3.5Å; D1450-R1452 PolarHBondContact O-N 2.92Å; D1450-R1452 VanDerWaalsContact O-N 3.17Å
1451Y32.8Very low49Very low39 Ų3978.7 Ų78.715%0.15343%0.427CS..  trans-82.890.4-178.4-94.8-97.8000112E408 F1326 T1449E408-Y1451 HydrophobicContact CB-CD1 4.12Å; E408-Y1451 HydrophobicContact CB-CD2 3.61Å; E408-Y1451 HydrophobicContact CB-CE1 4.38Å; E408-Y1451 HydrophobicContact CB-CE2 3.88Å; E408-Y1451 HydrophobicContact CB-CG 3.7Å; E408-Y1451 HydrophobicContact CG-CD2 4.05Å; E408-Y1451 HydrophobicContact CG-CE2 3.82Å; E408-Y1451 VanDerWaalsContact O-CB 3.3Å; E408-Y1451 WeakPolarHBondContact O-CB 3.23Å; F1326-Y1451 HydrophobicContact CB-CE2 3.93Å; T1449-Y1451 PolarHBondContact O-N 2.73Å
1452R28.3Very low46.1Very low77 Ų7779.2 Ų79.229%0.29143%0.432SS..  trans-13616.7169.4-120.4-169.1-57.2-179.9-4.2118.6M441 R442 D1450M441-R1452 HydrophobicContact CB-CG 3.95Å; M441-R1452 PolarHBondContact O-NE 3.17Å; M441-R1452 VanDerWaalsContact O-NE 3.13Å; M441-R1452 PolarHBondContact O-NH1 3.17Å; M441-R1452 PolarHBondContact O-NH2 2.66Å; M441-R1452 VanDerWaalsContact O-NH2 3.16Å; R442-R1452 HydrophobicContact CG-CG 4.45Å; D1450-R1452 PolarHBondContact O-N 2.92Å; D1450-R1452 VanDerWaalsContact O-N 3.17Å
1453T27.3Very low43.2Very low122 Ų12285.7 Ų85.775%0.74847%0.467SS*.SBendtrans-151.5141.3160.212.40000110
1454G27.4Very low40.3Very low48 Ų4887.8 Ų87.850%0.49548%0.483SS..  trans94.48151.900000121K1655G1454-K1655 VanDerWaalsContact C-NZ 3.35Å; G1454-K1655 WeakPolarHBondContact O-CE 3.29Å; G1454-K1655 PolarHBondContact O-NZ 3.29Å
1455G27.1Very low37.5Very low36 Ų3695 Ų9537%0.37152%0.519SS..  trans-46.4137.2-170.700000118.5K1655G1455-K1655 PolarHBondContact O-NZ 3.1Å
1456I26.6Very low34.9Very low85 Ų8597.5 Ų97.544%0.43654%0.535SS..  trans43.1122.3160.3-46.698.6000119.7N376N376-I1456 VanDerWaalsContact OD1-CD1 3.3Å; N376-I1456 WeakPolarHBondContact OD1-CD1 3.49Å
1457L27.8Very low32.7Very low113 Ų11394.2 Ų94.259%0.59252%0.521SS*.  trans-136.8131.7147.7-85176.1000111.4M1657L1457-M1657 HydrophobicContact CD1-SD 4.22Å
1458K28.8Very low31Very low115 Ų11596.7 Ų96.750%0.553%0.526SS..  trans-101.1160.4149.5-72.9175.9-179.2169.50107.5G342 D343G342-K1458 PolarHBondContact O-NZ 2.9Å; D343-K1458 IonicContact OD1-NZ 2.72Å; D343-K1458 PolarHBondContact OD1-NZ 3.43Å
1459T28.3Very low29.3Very low123 Ų12394.9 Ų94.976%0.75552%0.516SS*.  trans-81132.1-165.550.70000114.7
1460T28Very low28.1Very low117 Ų11795.8 Ų95.872%0.71852%0.522SS*.  175160.5113.438.40000112.2
1461D28.3Very low27.6Very low54 Ų5497.1 Ų97.129%0.28953%0.525SS..  trans76.589.5162.1-54-14.2000121.7Y1662D1461-Y1662 VanDerWaalsContact OD2-CE2 3.3Å; D1461-Y1662 WeakPolarHBondContact OD2-CE2 3.46Å; D1461-Y1662 VanDerWaalsContact OD2-CZ 3.3Å; D1461-Y1662 PolarHBondContact OD2-OH 3.46Å
1462I28.5Very low27.3Very low119 Ų119101.7 Ų101.761%0.6154%0.543SS*.  72.7110.4127.9-66.5171.4000120.6
1463D24.9Very low27.4Very low136 Ų136100.7 Ų100.773%0.72754%0.543SS*.  trans61.3171.4135.9-53.7-15.3000123.2
1464D26.3Very low27.5Very low151 Ų151100.7 Ų100.781%0.80754%0.535SS*.  trans50.892.6-173.7-73.2-23.5000118.8
1465M27.5Very low27.6Very low154 Ų154105.2 Ų105.276%0.75955%0.547SS*.  trans-165.8105.7141.5-109.2-54.9-73.500112.9
1466P25.2Very low27.5Very low60 Ų60106.9 Ų106.939%0.3957%0.565SS.*  trans-92.8121.8171.234-31.3000113.1I980I980-P1466 HydrophobicContact CB-CB 4.34Å; I980-P1466 HydrophobicContact CG1-CB 4.03Å; I980-P1466 HydrophobicContact CG2-CB 3.92Å
1467S23.9Very low27.5Very low49 Ų49110.2 Ų110.234%0.34358%0.583SS.*  trans65.2123.4134.455.20000124.5P979 S981P979-S1467 PolarHBondContact O-OG 2.82Å; S981-S1467 PolarHBondContact N-OG 2.72Å; S981-S1467 VanDerWaalsContact N-OG 3.1Å; S981-S1467 WeakPolarHBondContact OG-CB 2.97Å
1468Y27.8Very low27.4Very low185 Ų185113.5 Ų113.573%0.72560%0.596SS**  -148.4175.5100.2-155-104.6000111.4
1469I27.6Very low27.2Very low61 Ų61118.5 Ų118.531%0.31361%0.613SS.*  trans-105.6139.7-170.7-64.2167.1000111.6
1470P27.4Very low27Very low46 Ų46118.6 Ų118.630%0.29961%0.614SS.*  trans-86.1122.2163.131.7-27.9000110.7P1651P1470-P1651 WeakPolarHBondContact CB-O 3.35Å; P1470-P1651 VanDerWaalsContact CG-O 3.31Å; P1470-P1651 WeakPolarHBondContact CG-O 3.49Å
1471E29.1Very low26.8Very low149 Ų149118.6 Ų118.670%0.69661%0.613SS**  trans-80.8126.4-173.7-66.2-162.9119.700113.6N1473E1471-N1473 PolarHBondContact O-N 3.48Å
1472Y27.7Very low26.6Very low136 Ų136123.1 Ų123.153%0.53363%0.627SS.*  trans-72.696.1172.6-113.4-76.3000110.9T1649 T1650Y1472-T1649 HydrophobicContact CE1-CG2 4.07Å; Y1472-T1650 HydrophobicContact CD2-CG2 3.9Å; Y1472-T1650 HydrophobicContact CE2-CG2 3.37Å; Y1472-T1650 WeakPolarHBondContact CE2-OG1 3.42Å; Y1472-T1650 PolarHBondContact OH-OG1 3.43Å; Y1472-T1650 VanDerWaalsContact OH-OG1 3.08Å
1473N29.9Very low26.4Very low56 Ų56123.5 Ų123.530%0.29963%0.631SS.*  trans-66166.2174.4-114.4-35.3000112.7E1471 L1646 I1647 P1648E1471-N1473 PolarHBondContact O-N 3.48Å; N1473-L1646 VanDerWaalsContact ND2-CB 3.33Å; N1473-L1646 WeakPolarHBondContact ND2-CB 3.25Å; N1473-L1646 WeakPolarHBondContact OD1-CB 3.49Å; N1473-L1646 PolarHBondContact OD1-N 2.84Å; N1473-L1646 PolarHBondContact OD1-O 3.21Å; N1473-I1647 VanDerWaalsContact CB-C 3.5Å; N1473-P1648 VanDerWaalsContact CB-C 3.42Å
1474Q29.4Very low26.4Very low122 Ų122125.1 Ų125.157%0.5763%0.634SS**  trans-100.2169.8-157.9-51.7-171.423.100114.6L1646 I1647Q1474-L1646 PolarHBondContact N-O 3.16Å; Q1474-I1647 PolarHBondContact O-N 3.28Å
1475N28.9Very low26.3Very low143 Ų143123.5 Ų123.577%0.76564%0.635SS**  trans66.9143.3178.1-48.6-30.7000115.5
1476G26.2Very low26.2Very low71 Ų71124 Ų12473%0.73264%0.64SS**  cis165.7118.5-7.500000111.7
1477D26.5Very low26.4Very low154 Ų154125.7 Ų125.782%0.82465%0.65SS**  trans67.3143.1166-77.1-0.9000123.4
1478Q26Very low26.4Very low183 Ų183131 Ų13186%0.85567%0.67SS**  trans74.7131.3158.9-69.6173.55200121
1479Y24.9Very low26.3Very low220 Ų220126.8 Ų126.886%0.86366%0.663SS**  trans-98.2165.5-178.5-80.2-111.6000111.9
1480T23.7Very low26.2Very low125 Ų125131 Ų13177%0.76768%0.676SS**  trans106.3103.8150.672.40000119.9
1481T24Very low26.2Very low116 Ų116130.4 Ų130.471%0.71267%0.672SS**  trans79.1135.4138.926.30000123.5
1482Y24Very low26.1Very low149 Ų149132.2 Ų132.258%0.58468%0.678SS**  trans72.3105.4155.2-67.7-63.6000121.6
1483N23.1Very low26.4Very low128 Ų128127.7 Ų127.768%0.68467%0.665SS**  69142.8126.5-74.923.9000123.8
1484E24.5Very low26.5Very low170 Ų170125.6 Ų125.679%0.79465%0.654SS**  trans81.3144150.5-75.7165.7-143.500121
1485S26.1Very low26.8Very low117 Ų117120.5 Ų120.582%0.81863%0.631SS**  trans66.287.3170.132.10000120.7
1486L24.7Very low27.2Very low165 Ų165113.9 Ų113.986%0.86460%0.595SS**  -28.6163.3127.9-83.7162.4000115.7
1487P28.4Very low27.5Very low95 Ų95116 Ų11662%0.61758%0.582SS**  cis-146.1-163.10.636.5-12.5000117
1488Q25.6Very low27.9Very low161 Ų161112.6 Ų112.675%0.75256%0.564SS**  trans96108.2144-79.6168.5-0.300123.5
1489T25.5Very low28.7Very low96 Ų96111.9 Ų111.959%0.58956%0.561SS**  trans68.2143.8130.561.40000122.8
1490W25Very low29.4Very low150 Ų150106.8 Ų106.857%0.56856%0.555SS**  cis-173.5140.2-10.4-91.5-38000113.3E476E476-W1490 VanDerWaalsContact OE1-CH2 3.29Å; E476-W1490 WeakPolarHBondContact OE1-CH2 3.41Å; E476-W1490 WeakPolarHBondContact OE1-CZ2 3.33Å
1491S27.2Very low30.5Very low33 Ų33102 Ų10223%0.23152%0.524CS..  trans57.6138.7150.251.50000121D508 K540D508-S1491 WeakPolarHBondContact OD1-CB 3.37Å; K540-S1491 PolarHBondContact NZ-OG 3.18Å
1492K26.3Very low31.5Very low186 Ų18697.5 Ų97.581%0.80950%0.499SS*.  cis94.2148.628.6-78.9-127.2167.1-167.40117.7
1493P34.5Very low32.8Very low41 Ų4192.9 Ų92.927%0.26648%0.481SS..  trans-107-145.8-142.544.1-39.9000116.7
1494V32.8Very low33.9Very low13 Ų1387.8 Ų87.88%0.07946%0.456CS..  trans160.8136.5155.4152.20000117Y510 K551 E894 D896Y510-V1494 WeakPolarHBondContact OH-CG1 3.28Å; K551-V1494 PolarHBondContact NZ-O 3.36Å; E894-V1494 CarbonylContact O-C 3.46Å; E894-V1494 VanDerWaalsContact O-C 3.25Å; E894-V1494 VanDerWaalsContact O-CA 3.3Å; E894-V1494 WeakPolarHBondContact O-CA 3.03Å; E894-V1494 PolarHBondContact O-N 2.69Å; D896-V1494 HydrophobicContact CB-CG1 4.38Å; D896-V1494 WeakPolarHBondContact OD2-CG1 3.49Å
1495D34.7Very low35.1Very low14 Ų1487.1 Ų87.18%0.07545%0.453CS..  trans-94.4-141.1-179.9-149.2-17.2000118.6K551 Y586 T893 E894 D896K551-D1495 WeakPolarHBondContact CD-O 3.44Å; K551-D1495 WeakPolarHBondContact CE-O 3.36Å; K551-D1495 WeakPolarHBondContact CE-OD1 3.38Å; K551-D1495 VanDerWaalsContact NZ-C 3.3Å; K551-D1495 VanDerWaalsContact NZ-CA 3.29Å; K551-D1495 PolarHBondContact NZ-O 2.74Å; K551-D1495 IonicContact NZ-OD1 2.72Å; Y586-D1495 VanDerWaalsContact CE1-OD1 3.23Å; Y586-D1495 WeakPolarHBondContact CE1-OD1 3.47Å; Y586-D1495 VanDerWaalsContact CZ-OD1 3.29Å; Y586-D1495 PolarHBondContact OH-OD1 3.03Å; T893-D1495 WeakPolarHBondContact CA-OD2 3.34Å; E894-D1495 HydrophobicContact CB-CB 3.77Å; E894-D1495 PolarHBondContact N-OD2 2.88Å; E894-D1495 PolarHBondContact O-N 3.35Å; D896-D1495 HydrophobicContact CB-CB 3.78Å; D896-D1495 VanDerWaalsContact OD2-C 3.31Å
1496H36.6Very low36.7Very low4 Ų483.1 Ų83.12%0.01942%0.422CS..  trans178.4115.9152.7-75.3-1.1000117.2L548 K551 R552 Y586 R588 D896L548-H1496 WeakPolarHBondContact CD2-NE2 3.13Å; L548-H1496 PolarHBondContact O-CD2 2.94Å; L548-H1496 VanDerWaalsContact O-CD2 3.26Å; L548-H1496 PolarHBondContact O-NE2 3.49Å; K551-H1496 HydrophobicContact CB-CB 4.11Å; K551-H1496 VanDerWaalsContact CB-CD2 3.47Å; K551-H1496 WeakPolarHBondContact CB-CD2 3.46Å; K551-H1496 HydrophobicContact CD-CB 3.93Å; K551-H1496 HydrophobicContact CG-CB 3.8Å; R552-H1496 VanDerWaalsContact CD-CD2 3.49Å; R552-H1496 WeakPolarHBondContact CD-CD2 3.45Å; R552-H1496 VanDerWaalsContact CD-CG 3.41Å; R552-H1496 HydrophobicContact CG-CB 4.4Å; R552-H1496 WeakPolarHBondContact CG-CD2 3.37Å; R552-H1496 VanDerWaalsContact CZ-ND1 3.35Å; R552-H1496 PolarHBondContact N-CD2 2.88Å; R552-H1496 PolarHBondContact NE-ND1 3.46Å; Y586-H1496 WeakPolarHBondContact CD1-O 3.4Å; R588-H1496 PolarHBondContact NH2-O 3.43Å; D896-H1496 IonicContact OD2-CE1 2.65Å; D896-H1496 PolarHBondContact OD2-CE1 3.38Å; D896-H1496 VanDerWaalsContact OD2-CE1 3.3Å; D896-H1496 IonicContact OD2-CG 3.92Å; D896-H1496 IonicContact OD2-ND1 3.14Å; D896-H1496 PolarHBondContact OD2-ND1 2.83Å
1497Y34.1Very low38.7Very low116 Ų11678.5 Ų78.546%0.45540%0.398SS..  trans54156.3152.8-75.7-37.3000129.5R552 R588 D897R552-Y1497 HydrophobicContact CG-CD2 4.48Å; R552-Y1497 VanDerWaalsContact CZ-CE2 3.48Å; R552-Y1497 VanDerWaalsContact NH1-CE2 3.3Å; R588-Y1497 PolarHBondContact NH1-O 3.15Å; R588-Y1497 PolarHBondContact NH2-O 3.01Å; D897-Y1497 PolarHBondContact OD1-OH 3.1Å
1498D34.4Very low40.9Very low82 Ų8274.9 Ų74.944%0.43937%0.374SS..  trans-164.6163149.9-12010.1000112.7R588 R1598R588-D1498 IonicContact CZ-OD1 3.68Å; R588-D1498 IonicContact NH1-OD1 3.89Å; R588-D1498 PolarHBondContact NH1-OD1 3.08Å; D1498-R1598 PolarHBondContact O-NH2 2.98Å
1499E42.1Very low43.3Very low169 Ų16972 Ų7279%0.7936%0.356SS*.  trans-64.5138.3-173.8-79.8-165.5143.700115.2L1501 R1598E1499-L1501 PolarHBondContact O-N 3Å; E1499-R1598 PolarHBondContact O-NH2 2.97Å
1500P40.9Very low45.7Very low113 Ų11371.2 Ų71.273%0.73435%0.346SS*.  trans-78.790.6-169.832.9-36.4000113.2A1502P1500-A1502 PolarHBondContact O-N 2.7Å
1501L46Very low48.1Very low23 Ų2364.1 Ų64.112%0.1232%0.319CS..  trans-59.1134.9163.7-72.1116.8000110.3E1499 P1591 V1592 R1598 A1601 L1602 L1605E1499-L1501 PolarHBondContact O-N 3Å; L1501-P1591 CarbonylContact O-C 3.58Å; L1501-V1592 HydrophobicContact CB-CB 4.06Å; L1501-V1592 HydrophobicContact CB-CG2 3.73Å; L1501-V1592 WeakPolarHBondContact O-CG2 3.19Å; L1501-V1592 PolarHBondContact O-N 2.89Å; L1501-R1598 HydrophobicContact CD1-CG 3.49Å; L1501-R1598 VanDerWaalsContact CD1-CG 3.49Å; L1501-A1601 HydrophobicContact CD2-CB 3.97Å; L1501-L1602 HydrophobicContact CD1-CD1 4.03Å; L1501-L1602 HydrophobicContact CD1-CD2 3.96Å; L1501-L1602 HydrophobicContact CD1-CG 3.77Å; L1501-L1602 HydrophobicContact CD2-CD2 3.99Å; L1501-L1602 HydrophobicContact CD2-CG 4Å; L1501-L1605 HydrophobicContact CD2-CD1 3.51Å
1502A45.6Very low50.8Low22 Ų2262.6 Ų62.618%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-98.4122.4-176.200000111P1500 I1589P1500-A1502 PolarHBondContact O-N 2.7Å; A1502-I1589 HydrophobicContact CB-CG2 3.71Å
1503K50.6Low53.4Low52 Ų5259 Ų5923%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-106.196.5172.3-164.7-172.6-169-167.30108.4S1590 V1592 E1597K1503-S1590 CarbonylContact C-O 3.53Å; K1503-S1590 WeakPolarHBondContact CA-O 3.37Å; K1503-S1590 PolarHBondContact N-O 3.04Å; K1503-S1590 PolarHBondContact O-N 2.9Å; K1503-S1590 VanDerWaalsContact O-N 3.08Å; K1503-S1590 VanDerWaalsContact O-O 3.12Å; K1503-S1590 PolarHBondContact O-OG 2.89Å; K1503-V1592 HydrophobicContact CB-CG2 3.85Å; K1503-E1597 WeakPolarHBondContact CD-OE2 3.32Å; K1503-E1597 WeakPolarHBondContact CE-OE2 3.39Å; K1503-E1597 IonicContact NZ-OE1 2.71Å; K1503-E1597 PolarHBondContact NZ-OE1 3.38Å; K1503-E1597 IonicContact NZ-OE2 3.03Å; K1503-E1597 PolarHBondContact NZ-OE2 2.8Å
1504S46Very low55.6Low22 Ų2259.1 Ų59.115%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-106.6128.6-172.653.70000111.7L1506S1504-L1506 PolarHBondContact O-N 3.01Å; S1504-L1506 VanDerWaalsContact OG-CD1 3.28Å; S1504-L1506 WeakPolarHBondContact OG-CD1 3.28Å; S1504-L1506 WeakPolarHBondContact OG-CG 3.41Å
1505E50.6Low58Low156 Ų15658.5 Ų58.573%0.72928%0.284SS*.  trans-76.773.8168.4-65.4-175.9143.400110.3D1507E1505-D1507 PolarHBondContact O-N 3.36Å
1506L58.7Low60Low32 Ų3261.2 Ų61.217%0.16830%0.295CS..  trans-75118.1-179.9-77.6160.5000111.4S1504 L1508 V1511 L1569 C1585 M1586S1504-L1506 PolarHBondContact O-N 3.01Å; S1504-L1506 VanDerWaalsContact OG-CD1 3.28Å; S1504-L1506 WeakPolarHBondContact OG-CD1 3.28Å; S1504-L1506 WeakPolarHBondContact OG-CG 3.41Å; L1506-L1508 PolarHBondContact O-N 2.8Å; L1506-V1511 HydrophobicContact CD2-CG2 4.45Å; L1506-L1569 HydrophobicContact CD1-CD2 4.32Å; L1506-C1585 HydrophobicContact CD2-CB 4.13Å; L1506-C1585 WeakPolarHBondContact CD2-O 3.46Å; L1506-M1586 HydrophobicContact CD2-CG 4.38Å
1507D66.3Low62.1Low68 Ų6864 Ų6436%0.36432%0.315SS..  trans-6999.7164.5-174.4-1.5000108.7E1505 R1509 Q1510 V1511 K1909E1505-D1507 PolarHBondContact O-N 3.36Å; D1507-R1509 PolarHBondContact O-N 2.88Å; D1507-R1509 VanDerWaalsContact O-N 3.08Å; D1507-R1509 WeakPolarHBondContact OD1-CA 3.47Å; D1507-R1509 WeakPolarHBondContact OD1-CB 3.48Å; D1507-R1509 WeakPolarHBondContact OD1-CG 3.3Å; D1507-R1509 PolarHBondContact OD1-N 3.17Å; D1507-Q1510 HydrophobicContact CB-CB 4.04Å; D1507-Q1510 WeakPolarHBondContact O-CA 3.4Å; D1507-Q1510 VanDerWaalsContact O-CB 3.27Å; D1507-Q1510 WeakPolarHBondContact O-CB 3.11Å; D1507-Q1510 PolarHBondContact O-N 2.86Å; D1507-V1511 PolarHBondContact O-N 2.68Å; D1507-V1511 VanDerWaalsContact O-N 3.14Å; D1507-K1909 IonicContact OD2-NZ 3.9Å; D1507-K1909 PolarHBondContact OD2-NZ 3.48Å
1508L75.4Confident64.4Low20 Ų2060.5 Ų60.511%0.10530%0.304CS..Hα-helixtrans-57.8-20.6175.9-65.5178.4000113L1506 A1512 Y1549 L1552 Q1556 L1569L1506-L1508 PolarHBondContact O-N 2.8Å; L1508-A1512 VanDerWaalsContact O-CB 3.24Å; L1508-A1512 WeakPolarHBondContact O-CB 3.49Å; L1508-A1512 PolarHBondContact O-N 2.86Å; L1508-Y1549 HydrophobicContact CB-CD2 4.49Å; L1508-Y1549 HydrophobicContact CB-CE2 4.2Å; L1508-L1552 HydrophobicContact CD2-CD1 4.47Å; L1508-Q1556 HydrophobicContact CD1-CB 4.38Å; L1508-L1569 HydrophobicContact CD2-CD2 3.71Å
1509R75.6Confident66.8Low99 Ų9956.8 Ų56.837%0.37428%0.284SS..Hα-helixtrans-71.7-35.3171.2-59.8171.8164176.1-11.9111.4D1507 Y1513 Y1549D1507-R1509 PolarHBondContact O-N 2.88Å; D1507-R1509 VanDerWaalsContact O-N 3.08Å; D1507-R1509 WeakPolarHBondContact OD1-CA 3.47Å; D1507-R1509 WeakPolarHBondContact OD1-CB 3.48Å; D1507-R1509 WeakPolarHBondContact OD1-CG 3.3Å; D1507-R1509 PolarHBondContact OD1-N 3.17Å; R1509-Y1513 VanDerWaalsContact O-CB 3.22Å; R1509-Y1513 WeakPolarHBondContact O-CB 3.44Å; R1509-Y1513 PolarHBondContact O-N 2.85Å; R1509-Y1549 HydrophobicContact CB-CD2 4.46Å; R1509-Y1549 HydrophobicContact CB-CE2 4.34Å; R1509-Y1549 HydrophobicContact CG-CD2 3.79Å; R1509-Y1549 HydrophobicContact CG-CE1 4.29Å; R1509-Y1549 HydrophobicContact CG-CE2 3.31Å; R1509-Y1549 HydrophobicContact CG-CG 4.47Å; R1509-Y1549 PolarHBondContact NE-OH 2.64Å
1510Q75.4Confident68.8Low80 Ų8055.1 Ų55.137%0.37427%0.27SS..Hα-helixtrans-68.6-44.4175.3-159.468.911.900110.3D1507 A1512 Y1513 H1514D1507-Q1510 HydrophobicContact CB-CB 4.04Å; D1507-Q1510 WeakPolarHBondContact O-CA 3.4Å; D1507-Q1510 VanDerWaalsContact O-CB 3.27Å; D1507-Q1510 WeakPolarHBondContact O-CB 3.11Å; D1507-Q1510 PolarHBondContact O-N 2.86Å; Q1510-A1512 PolarHBondContact O-N 2.91Å; Q1510-Y1513 PolarHBondContact O-N 3.06Å; Q1510-H1514 PolarHBondContact NE2-NE2 2.65Å; Q1510-H1514 PolarHBondContact O-CD2 2.87Å; Q1510-H1514 PolarHBondContact O-N 3.23Å
1511V77.1Confident70.7Confident1 Ų153.9 Ų53.91%0.00626%0.257CS..Hα-helixtrans-58-50.7172.5-178.10000110.6L1506 D1507 Y1513 H1514 L1515 L1552 L1569 L1573 I1581 C1585L1506-V1511 HydrophobicContact CD2-CG2 4.45Å; D1507-V1511 PolarHBondContact O-N 2.68Å; D1507-V1511 VanDerWaalsContact O-N 3.14Å; V1511-Y1513 VanDerWaalsContact C-N 3.31Å; V1511-Y1513 PolarHBondContact O-N 3.2Å; V1511-H1514 PolarHBondContact O-N 3.02Å; V1511-L1515 VanDerWaalsContact O-CB 3.25Å; V1511-L1515 WeakPolarHBondContact O-CB 3.02Å; V1511-L1515 PolarHBondContact O-N 3.03Å; V1511-L1552 HydrophobicContact CB-CD1 3.91Å; V1511-L1552 HydrophobicContact CG1-CD1 3.72Å; V1511-L1569 HydrophobicContact CG1-CD2 4.27Å; V1511-L1569 HydrophobicContact CG2-CD2 4.28Å; V1511-L1573 HydrophobicContact CG1-CD1 4.12Å; V1511-I1581 HydrophobicContact CB-CG2 4.4Å; V1511-I1581 HydrophobicContact CG1-CG2 3.96Å; V1511-C1585 HydrophobicContact CG2-CB 4.22Å
1512A83.1Confident72.6Confident2 Ų252.8 Ų52.82%0.01725%0.251CS..Hα-helixtrans-58.2-41177.300000113.2L1508 Q1510 L1515 K1516 A1548 Y1549 L1552L1508-A1512 VanDerWaalsContact O-CB 3.24Å; L1508-A1512 WeakPolarHBondContact O-CB 3.49Å; L1508-A1512 PolarHBondContact O-N 2.86Å; Q1510-A1512 PolarHBondContact O-N 2.91Å; A1512-L1515 PolarHBondContact O-N 3.26Å; A1512-K1516 PolarHBondContact O-N 3.49Å; A1512-A1548 HydrophobicContact CB-CB 3.87Å; A1512-Y1549 HydrophobicContact CB-CD2 4.29Å; A1512-Y1549 HydrophobicContact CB-CG 4.45Å; A1512-L1552 HydrophobicContact CB-CD1 4.11Å
1513Y80Confident74.4Confident111 Ų11151.8 Ų51.844%0.43524%0.242SC..Hα-helixtrans-62.5-40.6177.7-177.9-100.6000112.1R1509 Q1510 V1511 K1516 E1545R1509-Y1513 VanDerWaalsContact O-CB 3.22Å; R1509-Y1513 WeakPolarHBondContact O-CB 3.44Å; R1509-Y1513 PolarHBondContact O-N 2.85Å; Q1510-Y1513 PolarHBondContact O-N 3.06Å; V1511-Y1513 VanDerWaalsContact C-N 3.31Å; V1511-Y1513 PolarHBondContact O-N 3.2Å; Y1513-K1516 WeakPolarHBondContact O-CE 3.3Å; Y1513-K1516 VanDerWaalsContact O-CG 3.24Å; Y1513-K1516 WeakPolarHBondContact O-CG 3.36Å; Y1513-E1545 HydrophobicContact CD2-CG 4.38Å; Y1513-E1545 VanDerWaalsContact CD2-OE2 3.27Å; Y1513-E1545 WeakPolarHBondContact CD2-OE2 3.18Å
1514H80.7Confident75.9Confident43 Ų4354.7 Ų54.720%0.19926%0.257CS..Hα-helixtrans-78.3-25.3175.9-68.4-74.4000113.3Q1510 V1511 R1578 I1581Q1510-H1514 PolarHBondContact NE2-NE2 2.65Å; Q1510-H1514 PolarHBondContact O-CD2 2.87Å; Q1510-H1514 PolarHBondContact O-N 3.23Å; V1511-H1514 PolarHBondContact O-N 3.02Å; H1514-R1578 PolarHBondContact O-NH1 2.78Å; H1514-R1578 PolarHBondContact O-NH2 3.4Å; H1514-I1581 HydrophobicContact CB-CB 4.44Å; H1514-I1581 HydrophobicContact CB-CD1 3.88Å; H1514-I1581 HydrophobicContact CB-CG1 3.79Å; H1514-I1581 HydrophobicContact CB-CG2 4.1Å
1515L83Confident77.5Confident0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-73.8-44.9-174.4-170.767.4000114V1511 A1512 S1517 D1518 W1519 L1522 A1548 L1573 I1576 R1578 I1581V1511-L1515 VanDerWaalsContact O-CB 3.25Å; V1511-L1515 WeakPolarHBondContact O-CB 3.02Å; V1511-L1515 PolarHBondContact O-N 3.03Å; A1512-L1515 PolarHBondContact O-N 3.26Å; L1515-S1517 PolarHBondContact O-N 3.31Å; L1515-D1518 HydrophobicContact CD1-CB 4.2Å; L1515-D1518 PolarHBondContact O-N 3.24Å; L1515-W1519 HydrophobicContact CD2-CB 3.8Å; L1515-W1519 HydrophobicContact CG-CB 4.25Å; L1515-L1522 HydrophobicContact CD1-CB 4.22Å; L1515-L1522 HydrophobicContact CD1-CD2 4.02Å; L1515-L1522 HydrophobicContact CD2-CB 4.06Å; L1515-L1522 HydrophobicContact CD2-CD2 3.41Å; L1515-L1522 VanDerWaalsContact CD2-CD2 3.41Å; L1515-L1522 HydrophobicContact CD2-CG 4.36Å; L1515-L1522 HydrophobicContact CG-CD2 4.38Å; L1515-A1548 HydrophobicContact CB-CB 4.33Å; L1515-A1548 HydrophobicContact CD2-CB 4.07Å; L1515-L1573 HydrophobicContact CD1-CD2 4.03Å; L1515-I1576 HydrophobicContact CD1-CD1 3.59Å; L1515-R1578 PolarHBondContact O-NH2 2.77Å; L1515-R1578 VanDerWaalsContact O-NH2 3.11Å; L1515-I1581 HydrophobicContact CB-CD1 4.03Å; L1515-I1581 HydrophobicContact CD1-CD1 3.94Å
1516K77.9Confident78.9Confident70 Ų7049.6 Ų49.630%0.30424%0.237SC..G310 helixtrans44.5-129179.7-48.3-157.8-179.2-151.20112.3A1512 Y1513 D1518 W1519 E1545A1512-K1516 PolarHBondContact O-N 3.49Å; Y1513-K1516 WeakPolarHBondContact O-CE 3.3Å; Y1513-K1516 VanDerWaalsContact O-CG 3.24Å; Y1513-K1516 WeakPolarHBondContact O-CG 3.36Å; K1516-D1518 PolarHBondContact O-N 3.37Å; K1516-W1519 VanDerWaalsContact O-CD1 3.25Å; K1516-W1519 PolarHBondContact O-N 2.91Å; K1516-E1545 HydrophobicContact CD-CG 4.25Å; K1516-E1545 WeakPolarHBondContact CE-OE1 3.36Å; K1516-E1545 HydrophobicContact CG-CG 3.99Å; K1516-E1545 IonicContact NZ-OE1 3.63Å; K1516-E1545 PolarHBondContact NZ-OE1 3.29Å
1517S80.2Confident79.8Confident63 Ų6350.9 Ų50.944%0.44126%0.257SS..G310 helixtrans-49.4-26.7-177.3540000116.1L1515 W1519 E1544L1515-S1517 PolarHBondContact O-N 3.31Å; S1517-W1519 PolarHBondContact O-N 2.92Å; S1517-E1544 PolarHBondContact N-OE2 3.32Å
1518D83.4Confident80.5Confident42 Ų4247.9 Ų47.923%0.22524%0.241CC..G310 helixtrans-80.7-3.6-169.3-48.3-29.7000112.1L1515 K1516 R1520 I1521 L1522 I1576 R1578L1515-D1518 HydrophobicContact CD1-CB 4.2Å; L1515-D1518 PolarHBondContact O-N 3.24Å; K1516-D1518 PolarHBondContact O-N 3.37Å; D1518-R1520 PolarHBondContact O-N 2.88Å; D1518-R1520 VanDerWaalsContact O-N 3.1Å; D1518-I1521 WeakPolarHBondContact O-CB 3.39Å; D1518-I1521 PolarHBondContact O-N 2.89Å; D1518-L1522 PolarHBondContact O-N 2.93Å; D1518-I1576 HydrophobicContact CB-CD1 4.28Å; D1518-R1578 IonicContact OD2-CZ 2.61Å; D1518-R1578 IonicContact OD2-NE 3.05Å; D1518-R1578 PolarHBondContact OD2-NE 2.7Å; D1518-R1578 IonicContact OD2-NH2 2.7Å; D1518-R1578 PolarHBondContact OD2-NH2 3.42Å
1519W84.5Confident80.8Confident4 Ų449.4 Ų49.42%0.01525%0.254CS..Hα-helixtrans-54.7-29.917978.4-99.2000114.2L1515 K1516 S1517 I1521 L1522 A1523 Q1533 I1536 T1537 Y1547 A1548L1515-W1519 HydrophobicContact CD2-CB 3.8Å; L1515-W1519 HydrophobicContact CG-CB 4.25Å; K1516-W1519 VanDerWaalsContact O-CD1 3.25Å; K1516-W1519 PolarHBondContact O-N 2.91Å; S1517-W1519 PolarHBondContact O-N 2.92Å; W1519-I1521 VanDerWaalsContact C-N 3.34Å; W1519-L1522 PolarHBondContact O-N 2.74Å; W1519-A1523 HydrophobicContact CE3-CB 4.15Å; W1519-A1523 HydrophobicContact CZ3-CB 4.32Å; W1519-A1523 WeakPolarHBondContact O-CB 3.31Å; W1519-A1523 PolarHBondContact O-N 3.31Å; W1519-Q1533 HydrophobicContact CZ3-CG 4.38Å; W1519-I1536 HydrophobicContact CH2-CB 3.94Å; W1519-I1536 HydrophobicContact CH2-CG2 3.47Å; W1519-I1536 VanDerWaalsContact CH2-CG2 3.47Å; W1519-I1536 HydrophobicContact CZ2-CG2 3.99Å; W1519-I1536 HydrophobicContact CZ3-CB 4.23Å; W1519-I1536 HydrophobicContact CZ3-CD1 3.93Å; W1519-I1536 HydrophobicContact CZ3-CG2 3.81Å; W1519-T1537 HydrophobicContact CH2-CG2 3.81Å; W1519-T1537 HydrophobicContact CZ2-CG2 3.57Å; W1519-Y1547 VanDerWaalsContact CE2-CB 3.46Å; W1519-Y1547 HydrophobicContact CZ2-CG 4.23Å; W1519-A1548 HydrophobicContact CB-CB 3.76Å; W1519-A1548 HydrophobicContact CG-CB 4.37Å
1520R83.1Confident81Confident134 Ų13450.2 Ų50.251%0.50627%0.265SS..Hα-helixtrans-67-37.6176.3-65.9-177.2179.6163.50.4112D1518 Q1524D1518-R1520 PolarHBondContact O-N 2.88Å; D1518-R1520 VanDerWaalsContact O-N 3.1Å; R1520-Q1524 WeakPolarHBondContact O-CG 3.42Å; R1520-Q1524 PolarHBondContact O-N 3.34Å; R1520-Q1524 VanDerWaalsContact O-N 3.13Å
1521I82.3Confident81.3Confident88 Ų8853.2 Ų53.245%0.45128%0.28SS..Hα-helixtrans-73.2-39.6177.3-38.6-179.3000109D1518 W1519 Q1524 C1525 I1576D1518-I1521 WeakPolarHBondContact O-CB 3.39Å; D1518-I1521 PolarHBondContact O-N 2.89Å; W1519-I1521 VanDerWaalsContact C-N 3.34Å; I1521-Q1524 PolarHBondContact O-N 2.76Å; I1521-C1525 PolarHBondContact O-N 3.5Å; I1521-C1525 PolarHBondContact O-SG 2.93Å; I1521-I1576 HydrophobicContact CB-CB 4.43Å; I1521-I1576 HydrophobicContact CB-CG2 3.9Å; I1521-I1576 HydrophobicContact CG2-CB 4.19Å; I1521-I1576 HydrophobicContact CG2-CG2 3.58Å
1522L84.6Confident81.3Confident0 Ų053.9 Ų53.90%028%0.283CS..Hα-helixtrans-64.3-43174.1-163.169.6000111.6L1515 D1518 W1519 Q1524 C1525 L1526 L1552 L1569 A1572 L1573 I1576L1515-L1522 HydrophobicContact CD1-CB 4.22Å; L1515-L1522 HydrophobicContact CD1-CD2 4.02Å; L1515-L1522 HydrophobicContact CD2-CB 4.06Å; L1515-L1522 HydrophobicContact CD2-CD2 3.41Å; L1515-L1522 VanDerWaalsContact CD2-CD2 3.41Å; L1515-L1522 HydrophobicContact CD2-CG 4.36Å; L1515-L1522 HydrophobicContact CG-CD2 4.38Å; D1518-L1522 PolarHBondContact O-N 2.93Å; W1519-L1522 PolarHBondContact O-N 2.74Å; L1522-Q1524 VanDerWaalsContact C-N 3.31Å; L1522-Q1524 PolarHBondContact O-N 3.35Å; L1522-C1525 CarbonylContact O-C 3.58Å; L1522-C1525 WeakPolarHBondContact O-CA 3.44Å; L1522-C1525 PolarHBondContact O-N 3.34Å; L1522-L1526 HydrophobicContact CD1-CD1 4.49Å; L1522-L1526 HydrophobicContact CD1-CG 4.46Å; L1522-L1526 HydrophobicContact CD2-CD1 3.89Å; L1522-L1526 HydrophobicContact CG-CD1 3.71Å; L1522-L1526 HydrophobicContact CG-CG 4.04Å; L1522-L1526 WeakPolarHBondContact O-CB 3.39Å; L1522-L1526 WeakPolarHBondContact O-CG 3.44Å; L1522-L1526 PolarHBondContact O-N 3.42Å; L1522-L1552 HydrophobicContact CD2-CD2 3.85Å; L1522-L1569 HydrophobicContact CD2-CD1 4.04Å; L1522-A1572 HydrophobicContact CD1-CB 3.68Å; L1522-L1573 HydrophobicContact CD1-CD2 4.05Å; L1522-L1573 HydrophobicContact CD1-CG 4.17Å; L1522-L1573 HydrophobicContact CD2-CD2 4.21Å; L1522-I1576 HydrophobicContact CB-CD1 4.05Å; L1522-I1576 HydrophobicContact CD1-CD1 3.92Å; L1522-I1576 HydrophobicContact CD1-CG1 4.23Å; L1522-I1576 HydrophobicContact CD1-CG2 4.38Å
1523A83.9Confident81.1Confident0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-57.3-43.6176.400000111.5W1519 L1526 G1527 L1528 Q1533W1519-A1523 HydrophobicContact CE3-CB 4.15Å; W1519-A1523 HydrophobicContact CZ3-CB 4.32Å; W1519-A1523 WeakPolarHBondContact O-CB 3.31Å; W1519-A1523 PolarHBondContact O-N 3.31Å; A1523-L1526 CarbonylContact O-C 3.54Å; A1523-L1526 PolarHBondContact O-N 3.05Å; A1523-G1527 PolarHBondContact O-N 3.4Å; A1523-L1528 HydrophobicContact CB-CB 4.04Å; A1523-L1528 HydrophobicContact CB-CD1 3.93Å; A1523-L1528 HydrophobicContact CB-CG 4.49Å; A1523-L1528 WeakPolarHBondContact O-CB 3.36Å; A1523-L1528 PolarHBondContact O-N 3.47Å; A1523-Q1533 HydrophobicContact CB-CG 4.14Å
1524Q82Confident81.2Confident113 Ų11357 Ų5753%0.52830%0.295SS..Hα-helixtrans-64.2-36.9173.4-71.9176.2-6.600112.6R1520 I1521 L1522R1520-Q1524 WeakPolarHBondContact O-CG 3.42Å; R1520-Q1524 PolarHBondContact O-N 3.34Å; R1520-Q1524 VanDerWaalsContact O-N 3.13Å; I1521-Q1524 PolarHBondContact O-N 2.76Å; L1522-Q1524 VanDerWaalsContact C-N 3.31Å; L1522-Q1524 PolarHBondContact O-N 3.35Å
1525C79.4Confident81.1Confident56 Ų5658.7 Ų58.738%0.37831%0.306SS..Hα-helixtrans-74.7-27.5175.6-62.40000113.6I1521 L1522 A1572 I1576I1521-C1525 PolarHBondContact O-N 3.5Å; I1521-C1525 PolarHBondContact O-SG 2.93Å; L1522-C1525 CarbonylContact O-C 3.58Å; L1522-C1525 WeakPolarHBondContact O-CA 3.44Å; L1522-C1525 PolarHBondContact O-N 3.34Å; C1525-A1572 HydrophobicContact CB-CB 4.16Å; C1525-I1576 HydrophobicContact CB-CG2 4.35Å; C1525-I1576 VanDerWaalsContact SG-CG2 3.53Å
1526L79.9Confident80.9Confident16 Ų1659 Ų598%0.08431%0.308CS..THydrogen-bonded Turntrans-90.26.7177.5-67.4178.3000113.4L1522 A1523 L1552 W1555 L1569 A1572L1522-L1526 HydrophobicContact CD1-CD1 4.49Å; L1522-L1526 HydrophobicContact CD1-CG 4.46Å; L1522-L1526 HydrophobicContact CD2-CD1 3.89Å; L1522-L1526 HydrophobicContact CG-CD1 3.71Å; L1522-L1526 HydrophobicContact CG-CG 4.04Å; L1522-L1526 WeakPolarHBondContact O-CB 3.39Å; L1522-L1526 WeakPolarHBondContact O-CG 3.44Å; L1522-L1526 PolarHBondContact O-N 3.42Å; A1523-L1526 CarbonylContact O-C 3.54Å; A1523-L1526 PolarHBondContact O-N 3.05Å; L1526-L1552 HydrophobicContact CD1-CD2 3.95Å; L1526-W1555 HydrophobicContact CB-CG 4.19Å; L1526-W1555 HydrophobicContact CD1-CB 4.27Å; L1526-W1555 HydrophobicContact CD1-CD2 4.09Å; L1526-W1555 HydrophobicContact CD1-CG 3.95Å; L1526-W1555 HydrophobicContact CD2-CD2 4.25Å; L1526-W1555 HydrophobicContact CD2-CG 4.39Å; L1526-W1555 HydrophobicContact CD2-CZ2 4.26Å; L1526-W1555 HydrophobicContact CG-CG 4.41Å; L1526-L1569 HydrophobicContact CD1-CD1 4.31Å; L1526-A1572 HydrophobicContact CD2-CB 3.4Å; L1526-A1572 HydrophobicContact CG-CB 3.95Å
1527G77.2Confident80.9Confident58 Ų5858.1 Ų58.160%0.59831%0.308SS*.THydrogen-bonded Turntrans79.217.8174.600000115.9A1523A1523-G1527 PolarHBondContact O-N 3.4Å
1528L81.5Confident80.6Confident6 Ų658.4 Ų58.43%0.03131%0.31CS..  trans-80.6125.6172-61.4176.9000110.2A1523 D1532 Q1533 S1551 L1554A1523-L1528 HydrophobicContact CB-CB 4.04Å; A1523-L1528 HydrophobicContact CB-CD1 3.93Å; A1523-L1528 HydrophobicContact CB-CG 4.49Å; A1523-L1528 WeakPolarHBondContact O-CB 3.36Å; A1523-L1528 PolarHBondContact O-N 3.47Å; L1528-D1532 HydrophobicContact CB-CB 4.21Å; L1528-Q1533 PolarHBondContact O-NE2 2.95Å; L1528-S1551 WeakPolarHBondContact CD1-O 3.33Å; L1528-L1554 HydrophobicContact CD1-CB 4.37Å; L1528-L1554 HydrophobicContact CD2-CB 4.15Å
1529S82.7Confident79.7Confident52 Ų5260.2 Ų60.236%0.36432%0.319SS..  trans-69.9166.5-174.873.60000112.5E1531 D1532 Q1533S1529-E1531 PolarHBondContact O-N 3.41Å; S1529-E1531 PolarHBondContact OG-N 3.36Å; S1529-D1532 VanDerWaalsContact CB-OD2 3.28Å; S1529-D1532 WeakPolarHBondContact CB-OD2 3.26Å; S1529-D1532 PolarHBondContact N-OD2 2.84Å; S1529-D1532 WeakPolarHBondContact O-CB 3.18Å; S1529-D1532 PolarHBondContact O-N 2.98Å; S1529-D1532 VanDerWaalsContact O-N 3.08Å; S1529-D1532 VanDerWaalsContact OG-CG 3.23Å; S1529-D1532 PolarHBondContact OG-N 2.98Å; S1529-D1532 VanDerWaalsContact OG-N 3.15Å; S1529-D1532 PolarHBondContact OG-OD2 2.79Å; S1529-Q1533 WeakPolarHBondContact O-CG 3.32Å; S1529-Q1533 PolarHBondContact O-N 3.4Å; S1529-Q1533 PolarHBondContact O-NE2 3.34Å
1530D79.8Confident78.6Confident115 Ų11564.6 Ų64.662%0.61535%0.348SS*.Hα-helixtrans-63-24.6173.1-66.1-27.1000112.3Q1533 Y1534D1530-Q1533 PolarHBondContact OD1-NE2 3.33Å; D1530-Y1534 VanDerWaalsContact O-CB 3.26Å; D1530-Y1534 WeakPolarHBondContact O-CB 3.14Å; D1530-Y1534 PolarHBondContact O-N 3.47Å
1531E80.5Confident77.6Confident144 Ų14466.2 Ų66.267%0.67337%0.367SS*.Hα-helixtrans-74.6-34.9172.9-169.1161.5-161.500111.4S1529 Y1534 N1535S1529-E1531 PolarHBondContact O-N 3.41Å; S1529-E1531 PolarHBondContact OG-N 3.36Å; E1531-Y1534 PolarHBondContact O-N 2.83Å; E1531-N1535 WeakPolarHBondContact O-CB 3.42Å; E1531-N1535 PolarHBondContact O-N 3.49Å; E1531-N1535 PolarHBondContact O-ND2 3.5Å; E1531-N1535 VanDerWaalsContact O-ND2 3.09Å
1532D77.9Confident76.9Confident14 Ų1466.7 Ų66.78%0.07536%0.363CS..Hα-helixtrans-68.6-43.7171.8-56-59.4000111.5L1528 S1529 Y1534 N1535 I1536 R1558L1528-D1532 HydrophobicContact CB-CB 4.21Å; S1529-D1532 VanDerWaalsContact CB-OD2 3.28Å; S1529-D1532 WeakPolarHBondContact CB-OD2 3.26Å; S1529-D1532 PolarHBondContact N-OD2 2.84Å; S1529-D1532 WeakPolarHBondContact O-CB 3.18Å; S1529-D1532 PolarHBondContact O-N 2.98Å; S1529-D1532 VanDerWaalsContact O-N 3.08Å; S1529-D1532 VanDerWaalsContact OG-CG 3.23Å; S1529-D1532 PolarHBondContact OG-N 2.98Å; S1529-D1532 VanDerWaalsContact OG-N 3.15Å; S1529-D1532 PolarHBondContact OG-OD2 2.79Å; D1532-Y1534 VanDerWaalsContact C-N 3.28Å; D1532-Y1534 PolarHBondContact O-N 2.87Å; D1532-N1535 PolarHBondContact O-N 2.96Å; D1532-I1536 WeakPolarHBondContact O-CB 3.31Å; D1532-I1536 VanDerWaalsContact O-CG1 3.28Å; D1532-I1536 WeakPolarHBondContact O-CG1 3.36Å; D1532-I1536 PolarHBondContact O-N 3.43Å; D1532-R1558 VanDerWaalsContact CG-NH2 3.25Å; D1532-R1558 IonicContact OD1-CZ 2.68Å; D1532-R1558 IonicContact OD1-NH1 3.35Å; D1532-R1558 IonicContact OD1-NH2 3.87Å; D1532-R1558 PolarHBondContact OD1-NH2 3.05Å; D1532-R1558 IonicContact OD2-CZ 2.6Å; D1532-R1558 IonicContact OD2-NH1 3.74Å; D1532-R1558 PolarHBondContact OD2-NH1 2.86Å; D1532-R1558 IonicContact OD2-NH2 2.73Å; D1532-R1558 PolarHBondContact OD2-NH2 3.23Å; D1532-R1558 VanDerWaalsContact OD2-NH2 3.15Å
1533Q78.9Confident76.5Confident20 Ų2070 Ų709%0.09339%0.385CS..Hα-helixtrans-61.5-37.5173.5-67.3166.166.200111.5W1519 A1523 L1528 S1529 D1530 T1537W1519-Q1533 HydrophobicContact CZ3-CG 4.38Å; A1523-Q1533 HydrophobicContact CB-CG 4.14Å; L1528-Q1533 PolarHBondContact O-NE2 2.95Å; S1529-Q1533 WeakPolarHBondContact O-CG 3.32Å; S1529-Q1533 PolarHBondContact O-N 3.4Å; S1529-Q1533 PolarHBondContact O-NE2 3.34Å; D1530-Q1533 PolarHBondContact OD1-NE2 3.33Å; Q1533-T1537 WeakPolarHBondContact O-CB 3.38Å; Q1533-T1537 PolarHBondContact O-N 3.42Å; Q1533-T1537 PolarHBondContact O-OG1 2.96Å
1534Y82Confident76.2Confident158 Ų15875 Ų7562%0.6241%0.408SS*.Hα-helixtrans-65.5-45.8172.2-178-95.5000111.5D1530 E1531 D1532 I1536 T1537 S1538D1530-Y1534 VanDerWaalsContact O-CB 3.26Å; D1530-Y1534 WeakPolarHBondContact O-CB 3.14Å; D1530-Y1534 PolarHBondContact O-N 3.47Å; E1531-Y1534 PolarHBondContact O-N 2.83Å; D1532-Y1534 VanDerWaalsContact C-N 3.28Å; D1532-Y1534 PolarHBondContact O-N 2.87Å; Y1534-I1536 PolarHBondContact O-N 3.42Å; Y1534-T1537 CarbonylContact O-C 3.57Å; Y1534-T1537 PolarHBondContact O-N 3.33Å; Y1534-T1537 VanDerWaalsContact O-N 3.17Å; Y1534-T1537 PolarHBondContact O-OG1 2.9Å; Y1534-S1538 WeakPolarHBondContact O-CB 3.49Å; Y1534-S1538 PolarHBondContact O-N 3.18Å
1535N78.9Confident76.2Confident80 Ų8072.9 Ų72.943%0.42840%0.398SS..Hα-helixtrans-61.6-44.7177.7-71-29000111.7E1531 D1532 T1537 S1538E1531-N1535 WeakPolarHBondContact O-CB 3.42Å; E1531-N1535 PolarHBondContact O-N 3.49Å; E1531-N1535 PolarHBondContact O-ND2 3.5Å; E1531-N1535 VanDerWaalsContact O-ND2 3.09Å; D1532-N1535 PolarHBondContact O-N 2.96Å; N1535-T1537 VanDerWaalsContact C-N 3.33Å; N1535-T1537 PolarHBondContact O-N 3.05Å; N1535-S1538 WeakPolarHBondContact O-CB 3.25Å; N1535-S1538 PolarHBondContact O-N 2.81Å; N1535-S1538 PolarHBondContact O-OG 2.75Å
1536I77.9Confident76.2Confident7 Ų773.9 Ų73.94%0.03640%0.397CS..Hα-helixtrans-58.1-43.9173.2-68.2162.3000111W1519 D1532 Y1534 Y1547 L1554W1519-I1536 HydrophobicContact CH2-CB 3.94Å; W1519-I1536 HydrophobicContact CH2-CG2 3.47Å; W1519-I1536 VanDerWaalsContact CH2-CG2 3.47Å; W1519-I1536 HydrophobicContact CZ2-CG2 3.99Å; W1519-I1536 HydrophobicContact CZ3-CB 4.23Å; W1519-I1536 HydrophobicContact CZ3-CD1 3.93Å; W1519-I1536 HydrophobicContact CZ3-CG2 3.81Å; D1532-I1536 WeakPolarHBondContact O-CB 3.31Å; D1532-I1536 VanDerWaalsContact O-CG1 3.28Å; D1532-I1536 WeakPolarHBondContact O-CG1 3.36Å; D1532-I1536 PolarHBondContact O-N 3.43Å; Y1534-I1536 PolarHBondContact O-N 3.42Å; I1536-Y1547 HydrophobicContact CG2-CD1 3.71Å; I1536-Y1547 HydrophobicContact CG2-CG 4.26Å; I1536-Y1547 WeakPolarHBondContact O-CD1 3.45Å; I1536-Y1547 VanDerWaalsContact O-CE1 3.23Å; I1536-Y1547 WeakPolarHBondContact O-CE1 3.22Å; I1536-L1554 HydrophobicContact CD1-CD1 3.79Å; I1536-L1554 HydrophobicContact CG1-CD1 3.71Å
1537T78.7Confident76.4Confident51 Ų5174.8 Ų74.831%0.31340%0.4SS..Hα-helixtrans-82.3-7.5179.651.10000115.3W1519 Q1533 Y1534 N1535 L1539W1519-T1537 HydrophobicContact CH2-CG2 3.81Å; W1519-T1537 HydrophobicContact CZ2-CG2 3.57Å; Q1533-T1537 WeakPolarHBondContact O-CB 3.38Å; Q1533-T1537 PolarHBondContact O-N 3.42Å; Q1533-T1537 PolarHBondContact O-OG1 2.96Å; Y1534-T1537 CarbonylContact O-C 3.57Å; Y1534-T1537 PolarHBondContact O-N 3.33Å; Y1534-T1537 VanDerWaalsContact O-N 3.17Å; Y1534-T1537 PolarHBondContact O-OG1 2.9Å; N1535-T1537 VanDerWaalsContact C-N 3.33Å; N1535-T1537 PolarHBondContact O-N 3.05Å; T1537-L1539 VanDerWaalsContact C-N 3.28Å; T1537-L1539 PolarHBondContact O-N 3.21Å
1538S74.3Confident76.8Confident68 Ų6872 Ų7248%0.47637%0.371SS..Hα-helixtrans-73.7-20.6177.575.70000113.1Y1534 N1535 P1540Y1534-S1538 WeakPolarHBondContact O-CB 3.49Å; Y1534-S1538 PolarHBondContact O-N 3.18Å; N1535-S1538 WeakPolarHBondContact O-CB 3.25Å; N1535-S1538 PolarHBondContact O-N 2.81Å; N1535-S1538 PolarHBondContact O-OG 2.75Å; S1538-P1540 WeakPolarHBondContact O-CD 3.29Å
1539L64.3Low77Confident81 Ų8174.8 Ų74.842%0.42438%0.382SS..SBendtrans-81.4114.5177.1-67.4171.7000110.4T1537 Y1547T1537-L1539 VanDerWaalsContact C-N 3.28Å; T1537-L1539 PolarHBondContact O-N 3.21Å; L1539-Y1547 PolarHBondContact O-OH 2.89Å
1540P61.5Low77Confident95 Ų9574 Ų7462%0.61738%0.375SS*.THydrogen-bonded Turntrans-73.3157.7-173.929.6-35.6000113.6S1538 R1542S1538-P1540 WeakPolarHBondContact O-CD 3.29Å; P1540-R1542 VanDerWaalsContact C-N 3.3Å; P1540-R1542 PolarHBondContact O-N 2.9Å
1541N60.9Low77.3Confident169 Ų16968.5 Ų68.590%0.90435%0.345SS*.THydrogen-bonded Turntrans62.313.1168.5-65.8-10000118.2
1542R67.4Low77.5Confident97 Ų9761.6 Ų61.637%0.36631%0.313SS..  trans-79.1145.7171.8-63.8-173.2173.5-111.310.5112.4P1540 E1546 Y1547P1540-R1542 VanDerWaalsContact C-N 3.3Å; P1540-R1542 PolarHBondContact O-N 2.9Å; R1542-E1546 HydrophobicContact CB-CB 4.11Å; R1542-E1546 WeakPolarHBondContact CB-OE2 3.49Å; R1542-E1546 WeakPolarHBondContact CD-OE2 3.39Å; R1542-E1546 WeakPolarHBondContact CG-OE2 3.22Å; R1542-E1546 IonicContact CZ-OE2 2.96Å; R1542-E1546 IonicContact NE-OE2 3.23Å; R1542-E1546 VanDerWaalsContact NH1-CD 3.33Å; R1542-E1546 IonicContact NH1-OE1 2.76Å; R1542-E1546 IonicContact NH1-OE2 2.66Å; R1542-E1546 PolarHBondContact NH1-OE2 3.1Å; R1542-Y1547 HydrophobicContact CB-CD1 4.34Å; R1542-Y1547 HydrophobicContact CB-CE1 3.82Å; R1542-Y1547 HydrophobicContact CB-CE2 4.3Å; R1542-Y1547 WeakPolarHBondContact O-CE2 3.37Å
1543P76.4Confident77.7Confident70 Ų7063.1 Ų63.146%0.45532%0.321SS..  trans-70.7159.4173.130.4-35.4000111.8E1545 E1546 Y1547P1543-E1545 PolarHBondContact O-N 3.25Å; P1543-E1545 VanDerWaalsContact O-N 3.14Å; P1543-E1546 HydrophobicContact CG-CB 4Å; P1543-E1546 HydrophobicContact CG-CG 3.85Å; P1543-E1546 PolarHBondContact O-N 3.45Å; P1543-Y1547 PolarHBondContact O-N 2.82Å
1544E78.7Confident77.9Confident106 Ų10664.3 Ų64.350%0.49533%0.328SS..Hα-helixtrans-57.4-31179.8-65.8-178.516800113.2S1517 Y1547 A1548S1517-E1544 PolarHBondContact N-OE2 3.32Å; E1544-Y1547 PolarHBondContact O-N 3.25Å; E1544-A1548 WeakPolarHBondContact O-CB 3.36Å; E1544-A1548 PolarHBondContact O-N 3.48Å
1545E80.8Confident78Confident67 Ų6757.1 Ų57.131%0.31330%0.3SS..Hα-helixtrans-69.1-30176.4-64.4161-154.600112.4Y1513 K1516 P1543 Y1549Y1513-E1545 HydrophobicContact CD2-CG 4.38Å; Y1513-E1545 VanDerWaalsContact CD2-OE2 3.27Å; Y1513-E1545 WeakPolarHBondContact CD2-OE2 3.18Å; K1516-E1545 HydrophobicContact CD-CG 4.25Å; K1516-E1545 WeakPolarHBondContact CE-OE1 3.36Å; K1516-E1545 HydrophobicContact CG-CG 3.99Å; K1516-E1545 IonicContact NZ-OE1 3.63Å; K1516-E1545 PolarHBondContact NZ-OE1 3.29Å; P1543-E1545 PolarHBondContact O-N 3.25Å; P1543-E1545 VanDerWaalsContact O-N 3.14Å; E1545-Y1549 VanDerWaalsContact O-CB 3.31Å; E1545-Y1549 WeakPolarHBondContact O-CB 3.36Å; E1545-Y1549 PolarHBondContact O-N 2.89Å
1546E79.6Confident78.1Confident78 Ų7855.7 Ų55.736%0.36429%0.29SS..Hα-helixtrans-78.9-34.5172-83.6-159.7157.200112.5R1542 P1543 A1548 Y1549 T1550R1542-E1546 HydrophobicContact CB-CB 4.11Å; R1542-E1546 WeakPolarHBondContact CB-OE2 3.49Å; R1542-E1546 WeakPolarHBondContact CD-OE2 3.39Å; R1542-E1546 WeakPolarHBondContact CG-OE2 3.22Å; R1542-E1546 IonicContact CZ-OE2 2.96Å; R1542-E1546 IonicContact NE-OE2 3.23Å; R1542-E1546 VanDerWaalsContact NH1-CD 3.33Å; R1542-E1546 IonicContact NH1-OE1 2.76Å; R1542-E1546 IonicContact NH1-OE2 2.66Å; R1542-E1546 PolarHBondContact NH1-OE2 3.1Å; P1543-E1546 HydrophobicContact CG-CB 4Å; P1543-E1546 HydrophobicContact CG-CG 3.85Å; P1543-E1546 PolarHBondContact O-N 3.45Å; E1546-A1548 VanDerWaalsContact C-N 3.31Å; E1546-Y1549 PolarHBondContact O-N 2.98Å; E1546-T1550 WeakPolarHBondContact O-CB 3.48Å; E1546-T1550 WeakPolarHBondContact O-CG2 3.46Å; E1546-T1550 PolarHBondContact O-N 3.39Å; E1546-T1550 PolarHBondContact O-OG1 3.27Å
1547Y84.9Confident78.1Confident34 Ų3462.4 Ų62.413%0.13332%0.321CS..Hα-helixtrans-65.6-38.1170.6-61.7-54000110.9W1519 I1536 L1539 R1542 P1543 E1544 T1550 S1551W1519-Y1547 VanDerWaalsContact CE2-CB 3.46Å; W1519-Y1547 HydrophobicContact CZ2-CG 4.23Å; I1536-Y1547 HydrophobicContact CG2-CD1 3.71Å; I1536-Y1547 HydrophobicContact CG2-CG 4.26Å; I1536-Y1547 WeakPolarHBondContact O-CD1 3.45Å; I1536-Y1547 VanDerWaalsContact O-CE1 3.23Å; I1536-Y1547 WeakPolarHBondContact O-CE1 3.22Å; L1539-Y1547 PolarHBondContact O-OH 2.89Å; R1542-Y1547 HydrophobicContact CB-CD1 4.34Å; R1542-Y1547 HydrophobicContact CB-CE1 3.82Å; R1542-Y1547 HydrophobicContact CB-CE2 4.3Å; R1542-Y1547 WeakPolarHBondContact O-CE2 3.37Å; P1543-Y1547 PolarHBondContact O-N 2.82Å; E1544-Y1547 PolarHBondContact O-N 3.25Å; Y1547-T1550 WeakPolarHBondContact CA-OG1 3.34Å; Y1547-T1550 PolarHBondContact O-OG1 2.85Å; Y1547-S1551 WeakPolarHBondContact O-CB 3.39Å; Y1547-S1551 PolarHBondContact O-N 3.33Å; Y1547-S1551 PolarHBondContact O-OG 2.84Å
1548A84.3Confident77.9Confident0 Ų066.3 Ų66.30%033%0.33CS..Hα-helixtrans-59.6-51.3169.800000111.9A1512 L1515 W1519 E1544 E1546 T1550 S1551 L1552A1512-A1548 HydrophobicContact CB-CB 3.87Å; L1515-A1548 HydrophobicContact CB-CB 4.33Å; L1515-A1548 HydrophobicContact CD2-CB 4.07Å; W1519-A1548 HydrophobicContact CB-CB 3.76Å; W1519-A1548 HydrophobicContact CG-CB 4.37Å; E1544-A1548 WeakPolarHBondContact O-CB 3.36Å; E1544-A1548 PolarHBondContact O-N 3.48Å; E1546-A1548 VanDerWaalsContact C-N 3.31Å; A1548-T1550 PolarHBondContact O-N 3.05Å; A1548-S1551 PolarHBondContact O-N 2.88Å; A1548-S1551 PolarHBondContact O-OG 2.83Å; A1548-L1552 PolarHBondContact O-N 3.29Å
1549Y85.9Confident77.6Confident64 Ų6465.5 Ų65.525%0.25132%0.321SS..Hα-helixtrans-66.1-38.7-178.7-174.9-122.4000113L1508 R1509 A1512 E1545 E1546 L1552 L1553L1508-Y1549 HydrophobicContact CB-CD2 4.49Å; L1508-Y1549 HydrophobicContact CB-CE2 4.2Å; R1509-Y1549 HydrophobicContact CB-CD2 4.46Å; R1509-Y1549 HydrophobicContact CB-CE2 4.34Å; R1509-Y1549 HydrophobicContact CG-CD2 3.79Å; R1509-Y1549 HydrophobicContact CG-CE1 4.29Å; R1509-Y1549 HydrophobicContact CG-CE2 3.31Å; R1509-Y1549 HydrophobicContact CG-CG 4.47Å; R1509-Y1549 PolarHBondContact NE-OH 2.64Å; A1512-Y1549 HydrophobicContact CB-CD2 4.29Å; A1512-Y1549 HydrophobicContact CB-CG 4.45Å; E1545-Y1549 VanDerWaalsContact O-CB 3.31Å; E1545-Y1549 WeakPolarHBondContact O-CB 3.36Å; E1545-Y1549 PolarHBondContact O-N 2.89Å; E1546-Y1549 PolarHBondContact O-N 2.98Å; Y1549-L1552 PolarHBondContact O-N 3.47Å; Y1549-L1553 HydrophobicContact CD1-CD1 3.89Å; Y1549-L1553 HydrophobicContact CE1-CD1 3.52Å; Y1549-L1553 HydrophobicContact CE1-CG 4.38Å; Y1549-L1553 HydrophobicContact CE2-CD1 4.32Å; Y1549-L1553 HydrophobicContact CE2-CG 4.32Å; Y1549-L1553 HydrophobicContact CG-CD1 4.45Å; Y1549-L1553 WeakPolarHBondContact O-CB 3.16Å; Y1549-L1553 PolarHBondContact O-N 2.9Å
1550T84.2Confident77.5Confident35 Ų3562.9 Ų62.922%0.21531%0.314CS..Hα-helixtrans-68.9-31.5173.647.10000112.6E1546 Y1547 A1548 L1554E1546-T1550 WeakPolarHBondContact O-CB 3.48Å; E1546-T1550 WeakPolarHBondContact O-CG2 3.46Å; E1546-T1550 PolarHBondContact O-N 3.39Å; E1546-T1550 PolarHBondContact O-OG1 3.27Å; Y1547-T1550 WeakPolarHBondContact CA-OG1 3.34Å; Y1547-T1550 PolarHBondContact O-OG1 2.85Å; A1548-T1550 PolarHBondContact O-N 3.05Å; T1550-L1554 WeakPolarHBondContact O-CB 3.33Å; T1550-L1554 PolarHBondContact O-N 3.19Å
1551S84.6Confident77.3Confident0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-67.4-41.3170.875.50000112.5L1528 Y1547 A1548 L1554 W1555L1528-S1551 WeakPolarHBondContact CD1-O 3.33Å; Y1547-S1551 WeakPolarHBondContact O-CB 3.39Å; Y1547-S1551 PolarHBondContact O-N 3.33Å; Y1547-S1551 PolarHBondContact O-OG 2.84Å; A1548-S1551 PolarHBondContact O-N 2.88Å; A1548-S1551 PolarHBondContact O-OG 2.83Å; S1551-L1554 PolarHBondContact O-N 3.32Å; S1551-W1555 PolarHBondContact O-N 3.07Å
1552L84.7Confident76.8Confident0 Ų060 Ų600%029%0.29CS..Hα-helixtrans-68.6-35.4175.9-70.5173.3000112.3L1508 V1511 A1512 L1522 L1526 A1548 Y1549 W1555 Q1556 L1569L1508-L1552 HydrophobicContact CD2-CD1 4.47Å; V1511-L1552 HydrophobicContact CB-CD1 3.91Å; V1511-L1552 HydrophobicContact CG1-CD1 3.72Å; A1512-L1552 HydrophobicContact CB-CD1 4.11Å; L1522-L1552 HydrophobicContact CD2-CD2 3.85Å; L1526-L1552 HydrophobicContact CD1-CD2 3.95Å; A1548-L1552 PolarHBondContact O-N 3.29Å; Y1549-L1552 PolarHBondContact O-N 3.47Å; L1552-W1555 HydrophobicContact CD2-CE3 4.49Å; L1552-Q1556 WeakPolarHBondContact O-CB 3.49Å; L1552-Q1556 PolarHBondContact O-N 3.5Å; L1552-L1569 HydrophobicContact CD2-CD1 3.77Å; L1552-L1569 HydrophobicContact CD2-CD2 4.46Å
1553L83Confident76.1Confident46 Ų4658.9 Ų58.924%0.24129%0.291CS..Hα-helixtrans-65.6-45.6170.4-83.3168.3000112Y1549 W1555 Q1556 E1557Y1549-L1553 HydrophobicContact CD1-CD1 3.89Å; Y1549-L1553 HydrophobicContact CE1-CD1 3.52Å; Y1549-L1553 HydrophobicContact CE1-CG 4.38Å; Y1549-L1553 HydrophobicContact CE2-CD1 4.32Å; Y1549-L1553 HydrophobicContact CE2-CG 4.32Å; Y1549-L1553 HydrophobicContact CG-CD1 4.45Å; Y1549-L1553 WeakPolarHBondContact O-CB 3.16Å; Y1549-L1553 PolarHBondContact O-N 2.9Å; L1553-W1555 PolarHBondContact O-N 3.21Å; L1553-Q1556 CarbonylContact O-C 3.59Å; L1553-Q1556 PolarHBondContact O-N 3Å; L1553-E1557 WeakPolarHBondContact O-CB 3.31Å; L1553-E1557 WeakPolarHBondContact O-CG 3.14Å; L1553-E1557 PolarHBondContact O-N 2.87Å
1554L83Confident75.2Confident45 Ų4556.8 Ų56.824%0.23628%0.277CS..Hα-helixtrans-61.9-33.3176.8-106.2159000112.6L1528 I1536 T1550 S1551 R1558L1528-L1554 HydrophobicContact CD1-CB 4.37Å; L1528-L1554 HydrophobicContact CD2-CB 4.15Å; I1536-L1554 HydrophobicContact CD1-CD1 3.79Å; I1536-L1554 HydrophobicContact CG1-CD1 3.71Å; T1550-L1554 WeakPolarHBondContact O-CB 3.33Å; T1550-L1554 PolarHBondContact O-N 3.19Å; S1551-L1554 PolarHBondContact O-N 3.32Å; L1554-R1558 WeakPolarHBondContact O-CB 3.47Å; L1554-R1558 WeakPolarHBondContact O-CG 3.34Å; L1554-R1558 PolarHBondContact O-N 2.89Å
1555W84Confident74.2Confident7 Ų752.4 Ų52.43%0.02726%0.258CS..Hα-helixtrans-67.9-45.1169.917270.1000111.8L1526 S1551 L1552 L1553 R1558 N1559 T1564 Q1568 L1569L1526-W1555 HydrophobicContact CB-CG 4.19Å; L1526-W1555 HydrophobicContact CD1-CB 4.27Å; L1526-W1555 HydrophobicContact CD1-CD2 4.09Å; L1526-W1555 HydrophobicContact CD1-CG 3.95Å; L1526-W1555 HydrophobicContact CD2-CD2 4.25Å; L1526-W1555 HydrophobicContact CD2-CG 4.39Å; L1526-W1555 HydrophobicContact CD2-CZ2 4.26Å; L1526-W1555 HydrophobicContact CG-CG 4.41Å; S1551-W1555 PolarHBondContact O-N 3.07Å; L1552-W1555 HydrophobicContact CD2-CE3 4.49Å; L1553-W1555 PolarHBondContact O-N 3.21Å; W1555-R1558 PolarHBondContact O-N 3.1Å; W1555-N1559 PolarHBondContact NE1-ND2 2.89Å; W1555-N1559 VanDerWaalsContact NE1-ND2 3.12Å; W1555-N1559 WeakPolarHBondContact O-CB 3.21Å; W1555-N1559 PolarHBondContact O-N 3.25Å; W1555-T1564 HydrophobicContact CD2-CG2 4Å; W1555-T1564 HydrophobicContact CE3-CG2 3.86Å; W1555-T1564 HydrophobicContact CH2-CG2 3.65Å; W1555-T1564 HydrophobicContact CZ2-CG2 3.78Å; W1555-T1564 HydrophobicContact CZ3-CG2 3.69Å; W1555-Q1568 HydrophobicContact CZ2-CB 3.95Å; W1555-L1569 HydrophobicContact CH2-CB 3.87Å; W1555-L1569 HydrophobicContact CZ3-CB 4.32Å; W1555-L1569 HydrophobicContact CZ3-CD2 4.17Å
1556Q81Confident73.4Confident50 Ų5049.5 Ų49.523%0.23425%0.246CC..Hα-helixtrans-66-35.8177.2-170.7179.121.400113.6L1508 L1552 L1553 G1560 N1561 T1564L1508-Q1556 HydrophobicContact CD1-CB 4.38Å; L1552-Q1556 WeakPolarHBondContact O-CB 3.49Å; L1552-Q1556 PolarHBondContact O-N 3.5Å; L1553-Q1556 CarbonylContact O-C 3.59Å; L1553-Q1556 PolarHBondContact O-N 3Å; Q1556-G1560 WeakPolarHBondContact O-CA 3.3Å; Q1556-G1560 PolarHBondContact O-N 2.97Å; Q1556-N1561 WeakPolarHBondContact CG-OD1 3.38Å; Q1556-N1561 PolarHBondContact NE2-OD1 3.2Å; Q1556-T1564 HydrophobicContact CB-CG2 4.29Å; Q1556-T1564 HydrophobicContact CG-CG2 4.3Å
1557E78.4Confident72.8Confident147 Ų14747.5 Ų47.569%0.68724%0.239SC*.Hα-helixtrans-74.6-34.3176.3-72.5177.6169.200112.2L1553L1553-E1557 WeakPolarHBondContact O-CB 3.31Å; L1553-E1557 WeakPolarHBondContact O-CG 3.14Å; L1553-E1557 PolarHBondContact O-N 2.87Å
1558R73.5Confident72.2Confident133 Ų13346.7 Ų46.750%0.50224%0.237SC..Hα-helixtrans-75-42.5174.4-85.8-165.1171.6151.612.4113.8D1532 L1554 W1555D1532-R1558 VanDerWaalsContact CG-NH2 3.25Å; D1532-R1558 IonicContact OD1-CZ 2.68Å; D1532-R1558 IonicContact OD1-NH1 3.35Å; D1532-R1558 IonicContact OD1-NH2 3.87Å; D1532-R1558 PolarHBondContact OD1-NH2 3.05Å; D1532-R1558 IonicContact OD2-CZ 2.6Å; D1532-R1558 IonicContact OD2-NH1 3.74Å; D1532-R1558 PolarHBondContact OD2-NH1 2.86Å; D1532-R1558 IonicContact OD2-NH2 2.73Å; D1532-R1558 PolarHBondContact OD2-NH2 3.23Å; D1532-R1558 VanDerWaalsContact OD2-NH2 3.15Å; L1554-R1558 WeakPolarHBondContact O-CB 3.47Å; L1554-R1558 WeakPolarHBondContact O-CG 3.34Å; L1554-R1558 PolarHBondContact O-N 2.89Å; W1555-R1558 PolarHBondContact O-N 3.1Å
1559N68.5Low71.9Confident52 Ų5246.9 Ų46.928%0.27824%0.237SC..Hα-helixtrans-86.8-37.3-175.7-70.220.8000110.8W1555 L1563 T1564 Q1568W1555-N1559 PolarHBondContact NE1-ND2 2.89Å; W1555-N1559 VanDerWaalsContact NE1-ND2 3.12Å; W1555-N1559 WeakPolarHBondContact O-CB 3.21Å; W1555-N1559 PolarHBondContact O-N 3.25Å; N1559-L1563 WeakPolarHBondContact O-CB 3.25Å; N1559-L1563 VanDerWaalsContact O-CD1 3.26Å; N1559-L1563 WeakPolarHBondContact O-CD1 3.16Å; N1559-T1564 HydrophobicContact CB-CG2 3.88Å; N1559-Q1568 PolarHBondContact ND2-OE1 2.85Å
1560G61.5Low71.3Confident26 Ų2644.6 Ų44.627%0.26823%0.232SC..  trans92.2148-178.300000113.2Q1556 E1562 L1563 T1564Q1556-G1560 WeakPolarHBondContact O-CA 3.3Å; Q1556-G1560 PolarHBondContact O-N 2.97Å; G1560-E1562 PolarHBondContact O-N 3.38Å; G1560-E1562 VanDerWaalsContact O-N 3.11Å; G1560-L1563 CarbonylContact O-C 3.38Å; G1560-L1563 PolarHBondContact O-N 2.83Å; G1560-T1564 PolarHBondContact O-N 2.93Å; G1560-T1564 PolarHBondContact O-OG1 3.44Å
1561N58.2Low70.8Confident113 Ų11348 Ų4860%0.60425%0.245SC*.THydrogen-bonded Turntrans-54.7-32.3-173.7-75-21.3000114.9Q1556 L1563 T1564Q1556-N1561 WeakPolarHBondContact CG-OD1 3.38Å; Q1556-N1561 PolarHBondContact NE2-OD1 3.2Å; N1561-L1563 VanDerWaalsContact C-N 3.34Å; N1561-T1564 PolarHBondContact O-OG1 3.5Å
1562E49.9Very low70.7Confident89 Ų8948.3 Ų48.342%0.41625%0.248SC..THydrogen-bonded Turntrans-79.6-21.2-180-53.7-164146.100112.8A974 I976 G1560 T1600A974-E1562 WeakPolarHBondContact CB-OE2 3.37Å; I976-E1562 HydrophobicContact CD1-CB 4.26Å; I976-E1562 HydrophobicContact CD1-CG 4.12Å; I976-E1562 HydrophobicContact CG1-CG 4.39Å; G1560-E1562 PolarHBondContact O-N 3.38Å; G1560-E1562 VanDerWaalsContact O-N 3.11Å; E1562-T1600 HydrophobicContact CB-CG2 4.14Å
1563L52.6Low70.5Confident74 Ų7448.4 Ų48.439%0.38725%0.248SC..THydrogen-bonded Turntrans-106.2-18.3-173.6-65.7168.8000112.6N1559 G1560 N1561 S1565 T1600 S1604N1559-L1563 WeakPolarHBondContact O-CB 3.25Å; N1559-L1563 VanDerWaalsContact O-CD1 3.26Å; N1559-L1563 WeakPolarHBondContact O-CD1 3.16Å; G1560-L1563 CarbonylContact O-C 3.38Å; G1560-L1563 PolarHBondContact O-N 2.83Å; N1561-L1563 VanDerWaalsContact C-N 3.34Å; L1563-S1565 PolarHBondContact O-N 2.96Å; L1563-T1600 HydrophobicContact CD2-CG2 4.42Å; L1563-S1604 VanDerWaalsContact C-OG 3.27Å; L1563-S1604 WeakPolarHBondContact CA-OG 3.29Å; L1563-S1604 VanDerWaalsContact CB-OG 3.24Å; L1563-S1604 WeakPolarHBondContact CB-OG 3.05Å; L1563-S1604 WeakPolarHBondContact CD2-OG 3.2Å; L1563-S1604 WeakPolarHBondContact O-CB 3.29Å; L1563-S1604 PolarHBondContact O-OG 3.28Å
1564T58.2Low70.4Confident27 Ų2751.9 Ų51.917%0.16626%0.264CS..  trans-73.982.9168.947.40000111.7W1555 Q1556 N1559 G1560 N1561W1555-T1564 HydrophobicContact CD2-CG2 4Å; W1555-T1564 HydrophobicContact CE3-CG2 3.86Å; W1555-T1564 HydrophobicContact CH2-CG2 3.65Å; W1555-T1564 HydrophobicContact CZ2-CG2 3.78Å; W1555-T1564 HydrophobicContact CZ3-CG2 3.69Å; Q1556-T1564 HydrophobicContact CB-CG2 4.29Å; Q1556-T1564 HydrophobicContact CG-CG2 4.3Å; N1559-T1564 HydrophobicContact CB-CG2 3.88Å; G1560-T1564 PolarHBondContact O-N 2.93Å; G1560-T1564 PolarHBondContact O-OG1 3.44Å; N1561-T1564 PolarHBondContact O-OG1 3.5Å
1565S56.9Low70.2Confident14 Ų1453.3 Ų53.310%0.09828%0.282CS..  trans-72.1145.2172.972.10000111.2L1563 T1567 Q1568 L1569L1563-S1565 PolarHBondContact O-N 2.96Å; S1565-T1567 PolarHBondContact O-N 3.13Å; S1565-Q1568 PolarHBondContact O-N 3.34Å; S1565-Q1568 PolarHBondContact OG-N 2.88Å; S1565-L1569 PolarHBondContact O-N 2.91Å
1566G64.7Low70.1Confident6 Ų654.4 Ų54.46%0.06229%0.288CS..Hα-helixtrans-58.3-26.2169.600000112.2A1570G1566-A1570 VanDerWaalsContact O-CB 3.32Å; G1566-A1570 WeakPolarHBondContact O-CB 3.49Å; G1566-A1570 PolarHBondContact O-N 3.46Å
1567T66.2Low70Confident35 Ų3554.9 Ų54.922%0.21531%0.306CS..Hα-helixtrans-67.3-43.7174.8-34.30000113.1S1565 L1569 A1570 E1571 L1605S1565-T1567 PolarHBondContact O-N 3.13Å; T1567-L1569 VanDerWaalsContact C-N 3.31Å; T1567-L1569 PolarHBondContact O-N 3.02Å; T1567-A1570 WeakPolarHBondContact O-CA 3.48Å; T1567-A1570 WeakPolarHBondContact O-CB 3.49Å; T1567-A1570 PolarHBondContact O-N 2.95Å; T1567-A1570 VanDerWaalsContact O-N 3.11Å; T1567-E1571 WeakPolarHBondContact O-CG 3.36Å; T1567-E1571 PolarHBondContact O-N 3.28Å; T1567-L1605 HydrophobicContact CG2-CD1 4.02Å; T1567-L1605 HydrophobicContact CG2-CD2 3.7Å; T1567-L1605 HydrophobicContact CG2-CG 4.44Å
1568Q72.2Confident69.9Low18 Ų1850.1 Ų50.18%0.08428%0.281CS..Hα-helixtrans-59.8-43.7174.4-85-169.8-6.500111.2W1555 N1559 S1565 A1570 E1571 A1572 S1604W1555-Q1568 HydrophobicContact CZ2-CB 3.95Å; N1559-Q1568 PolarHBondContact ND2-OE1 2.85Å; S1565-Q1568 PolarHBondContact O-N 3.34Å; S1565-Q1568 PolarHBondContact OG-N 2.88Å; Q1568-A1570 VanDerWaalsContact C-N 3.29Å; Q1568-A1570 PolarHBondContact O-N 2.92Å; Q1568-E1571 PolarHBondContact O-N 2.92Å; Q1568-A1572 WeakPolarHBondContact O-CB 3.36Å; Q1568-A1572 PolarHBondContact O-N 3.5Å; Q1568-S1604 PolarHBondContact NE2-O 3.36Å
1569L78.7Confident70.1Confident3 Ų348.7 Ų48.72%0.01628%0.279CS..Hα-helixtrans-67.5-32.5177-172.951.9000111.4L1506 L1508 V1511 L1522 L1526 L1552 W1555 S1565 T1567 L1573L1506-L1569 HydrophobicContact CD1-CD2 4.32Å; L1508-L1569 HydrophobicContact CD2-CD2 3.71Å; V1511-L1569 HydrophobicContact CG1-CD2 4.27Å; V1511-L1569 HydrophobicContact CG2-CD2 4.28Å; L1522-L1569 HydrophobicContact CD2-CD1 4.04Å; L1526-L1569 HydrophobicContact CD1-CD1 4.31Å; L1552-L1569 HydrophobicContact CD2-CD1 3.77Å; L1552-L1569 HydrophobicContact CD2-CD2 4.46Å; W1555-L1569 HydrophobicContact CH2-CB 3.87Å; W1555-L1569 HydrophobicContact CZ3-CB 4.32Å; W1555-L1569 HydrophobicContact CZ3-CD2 4.17Å; S1565-L1569 PolarHBondContact O-N 2.91Å; T1567-L1569 VanDerWaalsContact C-N 3.31Å; T1567-L1569 PolarHBondContact O-N 3.02Å; L1569-L1573 HydrophobicContact CD1-CD1 4.16Å; L1569-L1573 HydrophobicContact CD1-CG 4.18Å; L1569-L1573 HydrophobicContact CG-CD1 3.98Å; L1569-L1573 HydrophobicContact CG-CG 4.47Å; L1569-L1573 WeakPolarHBondContact O-CB 3.5Å; L1569-L1573 WeakPolarHBondContact O-CD1 3.33Å; L1569-L1573 WeakPolarHBondContact O-CG 3.24Å; L1569-L1573 PolarHBondContact O-N 3.34Å
1570A73.6Confident70.4Confident17 Ų1749.3 Ų49.314%0.1428%0.282CS..Hα-helixtrans-66.5-45.6172.800000113.2G1566 T1567 Q1568 L1573 Q1574 L1582G1566-A1570 VanDerWaalsContact O-CB 3.32Å; G1566-A1570 WeakPolarHBondContact O-CB 3.49Å; G1566-A1570 PolarHBondContact O-N 3.46Å; T1567-A1570 WeakPolarHBondContact O-CA 3.48Å; T1567-A1570 WeakPolarHBondContact O-CB 3.49Å; T1567-A1570 PolarHBondContact O-N 2.95Å; T1567-A1570 VanDerWaalsContact O-N 3.11Å; Q1568-A1570 VanDerWaalsContact C-N 3.29Å; Q1568-A1570 PolarHBondContact O-N 2.92Å; A1570-L1573 PolarHBondContact O-N 3.37Å; A1570-Q1574 WeakPolarHBondContact O-CB 3.34Å; A1570-Q1574 PolarHBondContact O-N 3.42Å; A1570-L1582 HydrophobicContact CB-CD1 3.74Å; A1570-L1582 HydrophobicContact CB-CD2 3.59Å; A1570-L1582 HydrophobicContact CB-CG 4.29Å
1571E74.5Confident71.2Confident106 Ų10648.1 Ų48.150%0.49527%0.27SS..Hα-helixtrans-63.9-42.9177.1-71.9169169.700111.1T1567 Q1568 Q1574 A1575 L1605T1567-E1571 WeakPolarHBondContact O-CG 3.36Å; T1567-E1571 PolarHBondContact O-N 3.28Å; Q1568-E1571 PolarHBondContact O-N 2.92Å; E1571-Q1574 PolarHBondContact O-N 2.8Å; E1571-A1575 VanDerWaalsContact O-CB 3.28Å; E1571-A1575 WeakPolarHBondContact O-CB 3.43Å; E1571-A1575 PolarHBondContact O-N 2.92Å; E1571-L1605 WeakPolarHBondContact OE1-CD2 3.16Å; E1571-L1605 WeakPolarHBondContact OE2-CD2 3.47Å
1572A80.7Confident71.7Confident7 Ų743.6 Ų43.66%0.05825%0.245CC..Hα-helixtrans-67-4317600000112.8L1522 C1525 L1526 Q1568 Q1574 A1575 I1576L1522-A1572 HydrophobicContact CD1-CB 3.68Å; C1525-A1572 HydrophobicContact CB-CB 4.16Å; L1526-A1572 HydrophobicContact CD2-CB 3.4Å; L1526-A1572 HydrophobicContact CG-CB 3.95Å; Q1568-A1572 WeakPolarHBondContact O-CB 3.36Å; Q1568-A1572 PolarHBondContact O-N 3.5Å; A1572-Q1574 VanDerWaalsContact C-N 3.34Å; A1572-A1575 PolarHBondContact O-N 3.11Å; A1572-I1576 PolarHBondContact O-N 3.34Å; A1572-I1576 VanDerWaalsContact O-N 3.13Å
1573L81.6Confident72.4Confident1 Ų145.9 Ų45.91%0.00526%0.256CS..Hα-helixtrans-62.7-41174-78.1169.5000111.4V1511 L1515 L1522 L1569 A1570 I1576 G1577 R1578 I1581 L1582V1511-L1573 HydrophobicContact CG1-CD1 4.12Å; L1515-L1573 HydrophobicContact CD1-CD2 4.03Å; L1522-L1573 HydrophobicContact CD1-CD2 4.05Å; L1522-L1573 HydrophobicContact CD1-CG 4.17Å; L1522-L1573 HydrophobicContact CD2-CD2 4.21Å; L1569-L1573 HydrophobicContact CD1-CD1 4.16Å; L1569-L1573 HydrophobicContact CD1-CG 4.18Å; L1569-L1573 HydrophobicContact CG-CD1 3.98Å; L1569-L1573 HydrophobicContact CG-CG 4.47Å; L1569-L1573 WeakPolarHBondContact O-CB 3.5Å; L1569-L1573 WeakPolarHBondContact O-CD1 3.33Å; L1569-L1573 WeakPolarHBondContact O-CG 3.24Å; L1569-L1573 PolarHBondContact O-N 3.34Å; A1570-L1573 PolarHBondContact O-N 3.37Å; L1573-I1576 HydrophobicContact CD2-CD1 4.38Å; L1573-I1576 VanDerWaalsContact O-CG1 3.27Å; L1573-I1576 WeakPolarHBondContact O-CG1 3.42Å; L1573-I1576 PolarHBondContact O-N 3.18Å; L1573-G1577 PolarHBondContact O-N 3.23Å; L1573-R1578 HydrophobicContact CD2-CB 4.03Å; L1573-R1578 CarbonylContact O-C 3.55Å; L1573-R1578 WeakPolarHBondContact O-CA 3.47Å; L1573-R1578 PolarHBondContact O-N 3.47Å; L1573-I1581 HydrophobicContact CD1-CB 4.18Å; L1573-I1581 HydrophobicContact CD1-CG2 3.95Å; L1573-I1581 HydrophobicContact CD2-CB 4.09Å; L1573-I1581 HydrophobicContact CD2-CD1 3.89Å; L1573-I1581 HydrophobicContact CD2-CG1 4.43Å; L1573-I1581 HydrophobicContact CD2-CG2 4.21Å; L1573-L1582 HydrophobicContact CB-CD1 4.19Å; L1573-L1582 HydrophobicContact CB-CG 4.19Å; L1573-L1582 HydrophobicContact CD1-CD2 3.79Å; L1573-L1582 HydrophobicContact CD1-CG 4.01Å
1574Q79.8Confident73Confident120 Ų12050.2 Ų50.256%0.56127%0.268SS*.Hα-helixtrans-67.3-37.5175.6-175.4167.6-34.100112A1570 E1571 A1572 I1576 G1577A1570-Q1574 WeakPolarHBondContact O-CB 3.34Å; A1570-Q1574 PolarHBondContact O-N 3.42Å; E1571-Q1574 PolarHBondContact O-N 2.8Å; A1572-Q1574 VanDerWaalsContact C-N 3.34Å; Q1574-I1576 PolarHBondContact O-N 2.97Å; Q1574-G1577 PolarHBondContact O-N 3.3Å
1575A79.3Confident73.3Confident74 Ų7449.4 Ų49.461%0.61226%0.264SS*.Hα-helixtrans-63.8-36.317700000113E1571 A1572 G1577E1571-A1575 VanDerWaalsContact O-CB 3.28Å; E1571-A1575 WeakPolarHBondContact O-CB 3.43Å; E1571-A1575 PolarHBondContact O-N 2.92Å; A1572-A1575 PolarHBondContact O-N 3.11Å; A1575-G1577 VanDerWaalsContact C-N 3.25Å; A1575-G1577 PolarHBondContact O-N 3.08Å
1576I82Confident73.3Confident31 Ų3151.5 Ų51.516%0.15927%0.273CS..THydrogen-bonded Turntrans-82.62.3173.470.2162000113.8L1515 D1518 I1521 L1522 C1525 A1572 L1573 Q1574 R1578L1515-I1576 HydrophobicContact CD1-CD1 3.59Å; D1518-I1576 HydrophobicContact CB-CD1 4.28Å; I1521-I1576 HydrophobicContact CB-CB 4.43Å; I1521-I1576 HydrophobicContact CB-CG2 3.9Å; I1521-I1576 HydrophobicContact CG2-CB 4.19Å; I1521-I1576 HydrophobicContact CG2-CG2 3.58Å; L1522-I1576 HydrophobicContact CB-CD1 4.05Å; L1522-I1576 HydrophobicContact CD1-CD1 3.92Å; L1522-I1576 HydrophobicContact CD1-CG1 4.23Å; L1522-I1576 HydrophobicContact CD1-CG2 4.38Å; C1525-I1576 HydrophobicContact CB-CG2 4.35Å; C1525-I1576 VanDerWaalsContact SG-CG2 3.53Å; A1572-I1576 PolarHBondContact O-N 3.34Å; A1572-I1576 VanDerWaalsContact O-N 3.13Å; L1573-I1576 HydrophobicContact CD2-CD1 4.38Å; L1573-I1576 VanDerWaalsContact O-CG1 3.27Å; L1573-I1576 WeakPolarHBondContact O-CG1 3.42Å; L1573-I1576 PolarHBondContact O-N 3.18Å; Q1574-I1576 PolarHBondContact O-N 2.97Å; I1576-R1578 VanDerWaalsContact C-N 3.34Å; I1576-R1578 HydrophobicContact CD1-CB 3.82Å; I1576-R1578 HydrophobicContact CD1-CG 3.6Å; I1576-R1578 HydrophobicContact CG1-CB 3.79Å; I1576-R1578 HydrophobicContact CG1-CG 3.86Å
1577G78.1Confident72.4Confident59 Ų5956.1 Ų56.161%0.60830%0.3SS*.THydrogen-bonded Turntrans79.110.5-177.900000115.1L1573 Q1574 A1575 K1579L1573-G1577 PolarHBondContact O-N 3.23Å; Q1574-G1577 PolarHBondContact O-N 3.3Å; A1575-G1577 VanDerWaalsContact C-N 3.25Å; A1575-G1577 PolarHBondContact O-N 3.08Å; G1577-K1579 PolarHBondContact O-N 3.09Å
1578R78.2Confident71.4Confident47 Ų4760.1 Ų60.118%0.17732%0.32CS..  trans-95.948.8-178.5-72-58.7-141.610822.6114H1514 L1515 D1518 L1573 I1576 D1580 I1581H1514-R1578 PolarHBondContact O-NH1 2.78Å; H1514-R1578 PolarHBondContact O-NH2 3.4Å; L1515-R1578 PolarHBondContact O-NH2 2.77Å; L1515-R1578 VanDerWaalsContact O-NH2 3.11Å; D1518-R1578 IonicContact OD2-CZ 2.61Å; D1518-R1578 IonicContact OD2-NE 3.05Å; D1518-R1578 PolarHBondContact OD2-NE 2.7Å; D1518-R1578 IonicContact OD2-NH2 2.7Å; D1518-R1578 PolarHBondContact OD2-NH2 3.42Å; L1573-R1578 HydrophobicContact CD2-CB 4.03Å; L1573-R1578 CarbonylContact O-C 3.55Å; L1573-R1578 WeakPolarHBondContact O-CA 3.47Å; L1573-R1578 PolarHBondContact O-N 3.47Å; I1576-R1578 VanDerWaalsContact C-N 3.34Å; I1576-R1578 HydrophobicContact CD1-CB 3.82Å; I1576-R1578 HydrophobicContact CD1-CG 3.6Å; I1576-R1578 HydrophobicContact CG1-CB 3.79Å; I1576-R1578 HydrophobicContact CG1-CG 3.86Å; R1578-D1580 WeakPolarHBondContact CA-OD1 3.24Å; R1578-D1580 VanDerWaalsContact CD-OD1 3.31Å; R1578-D1580 WeakPolarHBondContact CD-OD1 3.38Å; R1578-D1580 IonicContact CZ-OD2 3.68Å; R1578-D1580 IonicContact NH1-OD1 3.64Å; R1578-D1580 IonicContact NH1-OD2 3.74Å; R1578-D1580 PolarHBondContact NH1-OD2 3.18Å; R1578-D1580 PolarHBondContact O-N 3.15Å; R1578-I1581 HydrophobicContact CB-CD1 3.87Å; R1578-I1581 HydrophobicContact CB-CG1 4.02Å; R1578-I1581 HydrophobicContact CG-CD1 4.16Å; R1578-I1581 PolarHBondContact O-N 2.99Å
1579K76Confident70.3Confident103 Ų10363.5 Ų63.545%0.44834%0.338SS..Hα-helixtrans-66.6-23.8174.8-174.5170.5-178.5-750112.8G1577 I1581 L1582 E1583G1577-K1579 PolarHBondContact O-N 3.09Å; K1579-I1581 PolarHBondContact O-N 2.77Å; K1579-L1582 WeakPolarHBondContact O-CB 3.48Å; K1579-L1582 PolarHBondContact O-N 2.62Å; K1579-L1582 VanDerWaalsContact O-N 3.12Å; K1579-E1583 IonicContact NZ-OE1 3.92Å; K1579-E1583 PolarHBondContact NZ-OE1 3.47Å; K1579-E1583 PolarHBondContact O-N 3.28Å; K1579-E1583 VanDerWaalsContact O-N 3.14Å
1580D75.6Confident68.8Low65 Ų6565.6 Ų65.635%0.34835%0.353SS..Hα-helixtrans-53.5-38.3168.859.9-42.7000112.4R1578 L1582 E1583 Y1584R1578-D1580 WeakPolarHBondContact CA-OD1 3.24Å; R1578-D1580 VanDerWaalsContact CD-OD1 3.31Å; R1578-D1580 WeakPolarHBondContact CD-OD1 3.38Å; R1578-D1580 IonicContact CZ-OD2 3.68Å; R1578-D1580 IonicContact NH1-OD1 3.64Å; R1578-D1580 IonicContact NH1-OD2 3.74Å; R1578-D1580 PolarHBondContact NH1-OD2 3.18Å; R1578-D1580 PolarHBondContact O-N 3.15Å; D1580-L1582 VanDerWaalsContact C-N 3.3Å; D1580-L1582 PolarHBondContact O-N 2.87Å; D1580-E1583 PolarHBondContact O-N 3.17Å; D1580-Y1584 WeakPolarHBondContact O-CB 3.18Å; D1580-Y1584 PolarHBondContact O-N 2.91Å
1581I78.6Confident67.6Low1 Ų168.1 Ų68.11%0.00537%0.367CS..Hα-helixtrans-68-32.4-180-55.3-171.6000111.1V1511 H1514 L1515 L1573 R1578 K1579 Y1584 C1585V1511-I1581 HydrophobicContact CB-CG2 4.4Å; V1511-I1581 HydrophobicContact CG1-CG2 3.96Å; H1514-I1581 HydrophobicContact CB-CB 4.44Å; H1514-I1581 HydrophobicContact CB-CD1 3.88Å; H1514-I1581 HydrophobicContact CB-CG1 3.79Å; H1514-I1581 HydrophobicContact CB-CG2 4.1Å; L1515-I1581 HydrophobicContact CB-CD1 4.03Å; L1515-I1581 HydrophobicContact CD1-CD1 3.94Å; L1573-I1581 HydrophobicContact CD1-CB 4.18Å; L1573-I1581 HydrophobicContact CD1-CG2 3.95Å; L1573-I1581 HydrophobicContact CD2-CB 4.09Å; L1573-I1581 HydrophobicContact CD2-CD1 3.89Å; L1573-I1581 HydrophobicContact CD2-CG1 4.43Å; L1573-I1581 HydrophobicContact CD2-CG2 4.21Å; R1578-I1581 HydrophobicContact CB-CD1 3.87Å; R1578-I1581 HydrophobicContact CB-CG1 4.02Å; R1578-I1581 HydrophobicContact CG-CD1 4.16Å; R1578-I1581 PolarHBondContact O-N 2.99Å; K1579-I1581 PolarHBondContact O-N 2.77Å; I1581-Y1584 PolarHBondContact O-N 3.45Å; I1581-C1585 WeakPolarHBondContact O-CB 3.42Å; I1581-C1585 PolarHBondContact O-N 3.08Å; I1581-C1585 PolarHBondContact O-SG 3.05Å; I1581-C1585 VanDerWaalsContact O-SG 3.4Å
1582L68.1Low66.5Low18 Ų1863.5 Ų63.59%0.09435%0.347CS..Hα-helixtrans-71.9-43.7175.1-64.5164.3000111.6A1570 L1573 K1579 D1580 Y1584 C1585 M1586A1570-L1582 HydrophobicContact CB-CD1 3.74Å; A1570-L1582 HydrophobicContact CB-CD2 3.59Å; A1570-L1582 HydrophobicContact CB-CG 4.29Å; L1573-L1582 HydrophobicContact CB-CD1 4.19Å; L1573-L1582 HydrophobicContact CB-CG 4.19Å; L1573-L1582 HydrophobicContact CD1-CD2 3.79Å; L1573-L1582 HydrophobicContact CD1-CG 4.01Å; K1579-L1582 WeakPolarHBondContact O-CB 3.48Å; K1579-L1582 PolarHBondContact O-N 2.62Å; K1579-L1582 VanDerWaalsContact O-N 3.12Å; D1580-L1582 VanDerWaalsContact C-N 3.3Å; D1580-L1582 PolarHBondContact O-N 2.87Å; L1582-Y1584 PolarHBondContact O-N 2.77Å; L1582-C1585 PolarHBondContact O-N 2.92Å; L1582-M1586 HydrophobicContact CB-CG 4.27Å; L1582-M1586 HydrophobicContact CB-SD 4.02Å; L1582-M1586 HydrophobicContact CD2-CG 3.98Å; L1582-M1586 HydrophobicContact CD2-SD 3.66Å; L1582-M1586 HydrophobicContact CG-SD 4.4Å; L1582-M1586 WeakPolarHBondContact O-CB 3.34Å; L1582-M1586 WeakPolarHBondContact O-CG 3.26Å; L1582-M1586 PolarHBondContact O-N 3.16Å
1583E65.5Low64.8Low137 Ų13767.3 Ų67.364%0.6437%0.365SS*.Hα-helixtrans-62.7-26.4175.6-68.9171.5-173.300112.3K1579 D1580K1579-E1583 IonicContact NZ-OE1 3.92Å; K1579-E1583 PolarHBondContact NZ-OE1 3.47Å; K1579-E1583 PolarHBondContact O-N 3.28Å; K1579-E1583 VanDerWaalsContact O-N 3.14Å; D1580-E1583 PolarHBondContact O-N 3.17Å
1584Y64.9Low63.1Low165 Ų16569.2 Ų69.265%0.64738%0.377SS*.Hα-helixtrans-92.1-22.6174.7-96.1-83.1000115.9D1580 I1581 L1582D1580-Y1584 WeakPolarHBondContact O-CB 3.18Å; D1580-Y1584 PolarHBondContact O-N 2.91Å; I1581-Y1584 PolarHBondContact O-N 3.45Å; L1582-Y1584 PolarHBondContact O-N 2.77Å
1585C64.6Low61.7Low10 Ų1067 Ų677%0.06838%0.379CS..Hα-helixtrans-117.1-13.3-171-64.80000115.4L1506 V1511 I1581 L1582 T1587L1506-C1585 HydrophobicContact CD2-CB 4.13Å; L1506-C1585 WeakPolarHBondContact CD2-O 3.46Å; V1511-C1585 HydrophobicContact CG2-CB 4.22Å; I1581-C1585 WeakPolarHBondContact O-CB 3.42Å; I1581-C1585 PolarHBondContact O-N 3.08Å; I1581-C1585 PolarHBondContact O-SG 3.05Å; I1581-C1585 VanDerWaalsContact O-SG 3.4Å; L1582-C1585 PolarHBondContact O-N 2.92Å; C1585-T1587 VanDerWaalsContact C-N 3.34Å; C1585-T1587 PolarHBondContact O-N 3.16Å
1586M55.7Low60.5Low58 Ų5866.3 Ų66.329%0.28637%0.365SS..  trans-84.468.7-179-66.3-169.878.600113.4L1506 L1582 I1589L1506-M1586 HydrophobicContact CD2-CG 4.38Å; L1582-M1586 HydrophobicContact CB-CG 4.27Å; L1582-M1586 HydrophobicContact CB-SD 4.02Å; L1582-M1586 HydrophobicContact CD2-CG 3.98Å; L1582-M1586 HydrophobicContact CD2-SD 3.66Å; L1582-M1586 HydrophobicContact CG-SD 4.4Å; L1582-M1586 WeakPolarHBondContact O-CB 3.34Å; L1582-M1586 WeakPolarHBondContact O-CG 3.26Å; L1582-M1586 PolarHBondContact O-N 3.16Å; M1586-I1589 HydrophobicContact CB-CD1 4.28Å; M1586-I1589 HydrophobicContact CE-CD1 4.02Å; M1586-I1589 HydrophobicContact CE-CG1 4.34Å
1587T46.4Very low59.2Low103 Ų10365.2 Ų65.263%0.63236%0.359SS*.  trans-99.1163.8164.151.20000111.2C1585 I1589C1585-T1587 VanDerWaalsContact C-N 3.34Å; C1585-T1587 PolarHBondContact O-N 3.16Å; T1587-I1589 PolarHBondContact O-N 3.24Å
1588N45.4Very low58.3Low119 Ų11965 Ų6564%0.63634%0.34SS*.SBendtrans50.549.8-174.4-74.46.7000114S1590N1588-S1590 PolarHBondContact O-N 3.09Å
1589I48Very low57.3Low90 Ų9065.5 Ų65.546%0.46235%0.348SS..EExtended strand (participates in β ladder)trans-70.996.4164.6-59.4171.3000108A1502 M1586 T1587A1502-I1589 HydrophobicContact CB-CG2 3.71Å; M1586-I1589 HydrophobicContact CB-CD1 4.28Å; M1586-I1589 HydrophobicContact CE-CD1 4.02Å; M1586-I1589 HydrophobicContact CE-CG1 4.34Å; T1587-I1589 PolarHBondContact O-N 3.24Å
1590S49Very low56.3Low47 Ų4761.1 Ų61.133%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-75.3135.9156.465.90000108.2K1503 N1588K1503-S1590 CarbonylContact C-O 3.53Å; K1503-S1590 WeakPolarHBondContact CA-O 3.37Å; K1503-S1590 PolarHBondContact N-O 3.04Å; K1503-S1590 PolarHBondContact O-N 2.9Å; K1503-S1590 VanDerWaalsContact O-N 3.08Å; K1503-S1590 VanDerWaalsContact O-O 3.12Å; K1503-S1590 PolarHBondContact O-OG 2.89Å; N1588-S1590 PolarHBondContact O-N 3.09Å
1591P46.7Very low55Low69 Ų6958.8 Ų58.845%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-61.9158163.826-30.2000108.7L1501 I1593L1501-P1591 CarbonylContact O-C 3.58Å; P1591-I1593 HydrophobicContact CG-CD1 3.95Å; P1591-I1593 HydrophobicContact CG-CG1 4.07Å; P1591-I1593 WeakPolarHBondContact O-CG1 3.09Å; P1591-I1593 PolarHBondContact O-N 3.33Å
1592V52.8Low53.9Low10 Ų1061.8 Ų61.86%0.06134%0.335CS..  trans-74.7114.8168.41750000108.9L1501 K1503 E1597 R1598L1501-V1592 HydrophobicContact CB-CB 4.06Å; L1501-V1592 HydrophobicContact CB-CG2 3.73Å; L1501-V1592 WeakPolarHBondContact O-CG2 3.19Å; L1501-V1592 PolarHBondContact O-N 2.89Å; K1503-V1592 HydrophobicContact CB-CG2 3.85Å; V1592-E1597 VanDerWaalsContact CG1-C 3.46Å; V1592-E1597 HydrophobicContact CG1-CB 3.47Å; V1592-E1597 VanDerWaalsContact CG1-CB 3.47Å; V1592-R1598 VanDerWaalsContact CG1-CA 3.43Å; V1592-R1598 HydrophobicContact CG1-CB 3.75Å; V1592-R1598 HydrophobicContact CG1-CG 4.16Å
1593I43.8Very low53.2Low86 Ų8667.1 Ų67.144%0.44135%0.354SS..  trans-106-27.7-161.6-39.5-163.1000113.1K978 P1591K978-I1593 HydrophobicContact CD-CD1 3.95Å; P1591-I1593 HydrophobicContact CG-CD1 3.95Å; P1591-I1593 HydrophobicContact CG-CG1 4.07Å; P1591-I1593 WeakPolarHBondContact O-CG1 3.09Å; P1591-I1593 PolarHBondContact O-N 3.33Å
1594T47.3Very low52.5Low42 Ų4260.8 Ų60.826%0.25833%0.325SS..SBendtrans-92.4139.9167.256.10000109.3D1596 E1597 R1598T1594-D1596 PolarHBondContact O-N 3.49Å; T1594-E1597 PolarHBondContact O-N 3.37Å; T1594-E1597 WeakPolarHBondContact OG1-CB 3.47Å; T1594-E1597 VanDerWaalsContact OG1-CD 3.3Å; T1594-E1597 WeakPolarHBondContact OG1-CG 3.31Å; T1594-E1597 PolarHBondContact OG1-N 3.01Å; T1594-R1598 PolarHBondContact O-N 3.05Å; T1594-R1598 VanDerWaalsContact O-N 3.09Å
1595A50Low51.9Low72 Ų7254.7 Ų54.760%0.59530%0.304SS*.Hα-helixtrans-57.8-28.6174.300000111.8R1598 V1599A1595-R1598 CarbonylContact O-C 3.55Å; A1595-R1598 WeakPolarHBondContact O-CA 3.38Å; A1595-R1598 WeakPolarHBondContact O-CB 3.23Å; A1595-R1598 PolarHBondContact O-N 3.49Å; A1595-R1598 VanDerWaalsContact O-N 3.13Å; A1595-V1599 WeakPolarHBondContact O-CG2 3.37Å; A1595-V1599 PolarHBondContact O-N 3.16Å
1596D54.5Low51.2Low61 Ų6160.7 Ų60.733%0.32634%0.335SS..Hα-helixtrans-78.6-36.4-175.5-151.519.8000110.9V975 T1594 R1598 T1600V975-D1596 HydrophobicContact CB-CB 4.19Å; V975-D1596 HydrophobicContact CG1-CB 3.76Å; V975-D1596 VanDerWaalsContact CG2-C 3.5Å; V975-D1596 HydrophobicContact CG2-CB 3.61Å; V975-D1596 WeakPolarHBondContact CG2-O 3.17Å; V975-D1596 VanDerWaalsContact CG2-OD2 3.26Å; V975-D1596 WeakPolarHBondContact CG2-OD2 3.23Å; T1594-D1596 PolarHBondContact O-N 3.49Å; D1596-R1598 PolarHBondContact O-N 3.2Å; D1596-T1600 PolarHBondContact O-N 2.93Å; D1596-T1600 PolarHBondContact O-OG1 3.3Å
1597E54.2Low50.8Low8 Ų861.3 Ų61.34%0.03735%0.349CS..Hα-helixtrans-62.9-33.5162.6-80.8170.1-169.700111.2V975 I976 K977 K1503 V1592 T1594 T1600 A1601V975-E1597 HydrophobicContact CB-CG 4.02Å; V975-E1597 HydrophobicContact CG1-CG 3.82Å; V975-E1597 WeakPolarHBondContact O-CG 3.15Å; I976-E1597 WeakPolarHBondContact CA-OE1 3.29Å; K977-E1597 PolarHBondContact N-OE1 3.17Å; K1503-E1597 WeakPolarHBondContact CD-OE2 3.32Å; K1503-E1597 WeakPolarHBondContact CE-OE2 3.39Å; K1503-E1597 IonicContact NZ-OE1 2.71Å; K1503-E1597 PolarHBondContact NZ-OE1 3.38Å; K1503-E1597 IonicContact NZ-OE2 3.03Å; K1503-E1597 PolarHBondContact NZ-OE2 2.8Å; V1592-E1597 VanDerWaalsContact CG1-C 3.46Å; V1592-E1597 HydrophobicContact CG1-CB 3.47Å; V1592-E1597 VanDerWaalsContact CG1-CB 3.47Å; T1594-E1597 PolarHBondContact O-N 3.37Å; T1594-E1597 WeakPolarHBondContact OG1-CB 3.47Å; T1594-E1597 VanDerWaalsContact OG1-CD 3.3Å; T1594-E1597 WeakPolarHBondContact OG1-CG 3.31Å; T1594-E1597 PolarHBondContact OG1-N 3.01Å; E1597-T1600 PolarHBondContact O-N 3.28Å; E1597-A1601 WeakPolarHBondContact O-CB 3.42Å; E1597-A1601 PolarHBondContact O-N 2.92Å
1598R59.1Low50.5Low54 Ų5460.5 Ų60.520%0.20434%0.344CS..Hα-helixtrans-68.8-46.3-178-152.3-173.8-158.3115.8-0.1111.4D1498 E1499 L1501 V1592 T1594 A1595 D1596 T1600 A1601 L1602D1498-R1598 PolarHBondContact O-NH2 2.98Å; E1499-R1598 PolarHBondContact O-NH2 2.97Å; L1501-R1598 HydrophobicContact CD1-CG 3.49Å; L1501-R1598 VanDerWaalsContact CD1-CG 3.49Å; V1592-R1598 VanDerWaalsContact CG1-CA 3.43Å; V1592-R1598 HydrophobicContact CG1-CB 3.75Å; V1592-R1598 HydrophobicContact CG1-CG 4.16Å; T1594-R1598 PolarHBondContact O-N 3.05Å; T1594-R1598 VanDerWaalsContact O-N 3.09Å; A1595-R1598 CarbonylContact O-C 3.55Å; A1595-R1598 WeakPolarHBondContact O-CA 3.38Å; A1595-R1598 WeakPolarHBondContact O-CB 3.23Å; A1595-R1598 PolarHBondContact O-N 3.49Å; A1595-R1598 VanDerWaalsContact O-N 3.13Å; D1596-R1598 PolarHBondContact O-N 3.2Å; R1598-T1600 VanDerWaalsContact C-N 3.29Å; R1598-T1600 PolarHBondContact O-N 3.49Å; R1598-A1601 PolarHBondContact O-N 2.89Å; R1598-L1602 HydrophobicContact CG-CD1 4.18Å; R1598-L1602 VanDerWaalsContact O-CB 3.27Å; R1598-L1602 WeakPolarHBondContact O-CB 3.14Å; R1598-L1602 VanDerWaalsContact O-CG 3.28Å; R1598-L1602 WeakPolarHBondContact O-CG 3.45Å; R1598-L1602 PolarHBondContact O-N 3.1Å
1599V56.7Low49.8Very low58 Ų5859.9 Ų59.935%0.35235%0.349SS..Hα-helixtrans-58.6-42.6173.2166.20000110.6A1595 L1602 R1603A1595-V1599 WeakPolarHBondContact O-CG2 3.37Å; A1595-V1599 PolarHBondContact O-N 3.16Å; V1599-L1602 PolarHBondContact O-N 2.89Å; V1599-R1603 VanDerWaalsContact CG1-CZ 3.43Å; V1599-R1603 VanDerWaalsContact O-CG 3.3Å; V1599-R1603 WeakPolarHBondContact O-CG 3.28Å; V1599-R1603 PolarHBondContact O-N 3.32Å
1600T56.2Low48.9Very low11 Ų1160.7 Ų60.77%0.06736%0.36CS..Hα-helixtrans-65.4-48.1178.9-52.20000111.5E1562 L1563 D1596 E1597 R1598 L1602 R1603 S1604E1562-T1600 HydrophobicContact CB-CG2 4.14Å; L1563-T1600 HydrophobicContact CD2-CG2 4.42Å; D1596-T1600 PolarHBondContact O-N 2.93Å; D1596-T1600 PolarHBondContact O-OG1 3.3Å; E1597-T1600 PolarHBondContact O-N 3.28Å; R1598-T1600 VanDerWaalsContact C-N 3.29Å; R1598-T1600 PolarHBondContact O-N 3.49Å; T1600-L1602 PolarHBondContact O-N 3.38Å; T1600-R1603 PolarHBondContact O-N 3.18Å; T1600-S1604 PolarHBondContact O-N 3.12Å
1601A47.8Very low47.9Very low15 Ų1565 Ų6512%0.12438%0.38CS..Hα-helixtrans-65.1-35.5176.800000113.7L1501 E1597 R1598 L1605L1501-A1601 HydrophobicContact CD2-CB 3.97Å; E1597-A1601 WeakPolarHBondContact O-CB 3.42Å; E1597-A1601 PolarHBondContact O-N 2.92Å; R1598-A1601 PolarHBondContact O-N 2.89Å; A1601-L1605 PolarHBondContact O-N 2.74Å
1602L55.4Low47Very low64 Ų6468.8 Ų68.834%0.33540%0.395SS..Hα-helixtrans-70.9-37.6176.1-78.7166.5000112.7L1501 R1598 V1599 T1600 S1604 L1605 N1606L1501-L1602 HydrophobicContact CD1-CD1 4.03Å; L1501-L1602 HydrophobicContact CD1-CD2 3.96Å; L1501-L1602 HydrophobicContact CD1-CG 3.77Å; L1501-L1602 HydrophobicContact CD2-CD2 3.99Å; L1501-L1602 HydrophobicContact CD2-CG 4Å; R1598-L1602 HydrophobicContact CG-CD1 4.18Å; R1598-L1602 VanDerWaalsContact O-CB 3.27Å; R1598-L1602 WeakPolarHBondContact O-CB 3.14Å; R1598-L1602 VanDerWaalsContact O-CG 3.28Å; R1598-L1602 WeakPolarHBondContact O-CG 3.45Å; R1598-L1602 PolarHBondContact O-N 3.1Å; V1599-L1602 PolarHBondContact O-N 2.89Å; T1600-L1602 PolarHBondContact O-N 3.38Å; L1602-S1604 VanDerWaalsContact C-N 3.25Å; L1602-S1604 PolarHBondContact O-N 2.85Å; L1602-L1605 PolarHBondContact O-N 3.12Å; L1602-N1606 WeakPolarHBondContact O-CB 3.26Å; L1602-N1606 PolarHBondContact O-N 2.98Å; L1602-N1606 PolarHBondContact O-ND2 3.34Å
1603R52.7Low46.1Very low130 Ų13074.7 Ų74.749%0.49143%0.426SS..Hα-helixtrans-57.9-39.6173.7-78.1173.5-173156.12.7111.4M973 V1599 T1600 A1607M973-R1603 PolarHBondContact SD-NH1 3.46Å; M973-R1603 PolarHBondContact SD-NH2 2.68Å; M973-R1603 VanDerWaalsContact SD-NH2 3.39Å; V1599-R1603 VanDerWaalsContact CG1-CZ 3.43Å; V1599-R1603 VanDerWaalsContact O-CG 3.3Å; V1599-R1603 WeakPolarHBondContact O-CG 3.28Å; V1599-R1603 PolarHBondContact O-N 3.32Å; T1600-R1603 PolarHBondContact O-N 3.18Å; R1603-A1607 WeakPolarHBondContact O-CB 3.45Å; R1603-A1607 PolarHBondContact O-N 3.33Å
1604S51.7Low45.6Very low5 Ų575.4 Ų75.44%0.03544%0.435CS..Hα-helixtrans-66.7-47.2174.7-740000114.3L1563 Q1568 T1600 L1602 N1606 A1607L1563-S1604 VanDerWaalsContact C-OG 3.27Å; L1563-S1604 WeakPolarHBondContact CA-OG 3.29Å; L1563-S1604 VanDerWaalsContact CB-OG 3.24Å; L1563-S1604 WeakPolarHBondContact CB-OG 3.05Å; L1563-S1604 WeakPolarHBondContact CD2-OG 3.2Å; L1563-S1604 WeakPolarHBondContact O-CB 3.29Å; L1563-S1604 PolarHBondContact O-OG 3.28Å; Q1568-S1604 PolarHBondContact NE2-O 3.36Å; T1600-S1604 PolarHBondContact O-N 3.12Å; L1602-S1604 VanDerWaalsContact C-N 3.25Å; L1602-S1604 PolarHBondContact O-N 2.85Å; S1604-N1606 VanDerWaalsContact C-N 3.25Å; S1604-N1606 PolarHBondContact O-N 2.81Å; S1604-A1607 WeakPolarHBondContact O-CB 3.2Å; S1604-A1607 PolarHBondContact O-N 3.32Å; S1604-A1607 VanDerWaalsContact O-N 3.14Å
1605L51Low45Very low37 Ų3777.4 Ų77.419%0.19444%0.444CS..Hα-helixtrans-60.2-39.5179.6-85.4156.6000111.5L1501 T1567 E1571 A1601 L1602 A1607L1501-L1605 HydrophobicContact CD2-CD1 3.51Å; T1567-L1605 HydrophobicContact CG2-CD1 4.02Å; T1567-L1605 HydrophobicContact CG2-CD2 3.7Å; T1567-L1605 HydrophobicContact CG2-CG 4.44Å; E1571-L1605 WeakPolarHBondContact OE1-CD2 3.16Å; E1571-L1605 WeakPolarHBondContact OE2-CD2 3.47Å; A1601-L1605 PolarHBondContact O-N 2.74Å; L1602-L1605 PolarHBondContact O-N 3.12Å; L1605-A1607 VanDerWaalsContact C-N 3.26Å; L1605-A1607 PolarHBondContact O-N 3.35Å
1606N50.9Low44.2Very low135 Ų13578.5 Ų78.572%0.72243%0.433SS*.THydrogen-bonded Turntrans-77.9-3.2179.2-66.1-21.9000114.5L1602 S1604L1602-N1606 WeakPolarHBondContact O-CB 3.26Å; L1602-N1606 PolarHBondContact O-N 2.98Å; L1602-N1606 PolarHBondContact O-ND2 3.34Å; S1604-N1606 VanDerWaalsContact C-N 3.25Å; S1604-N1606 PolarHBondContact O-N 2.81Å
1607A46.4Very low43.4Very low71 Ų7178.6 Ų78.659%0.58743%0.431SS*.THydrogen-bonded Turntrans-87.6-11.3-174.600000115.3R1603 S1604 L1605R1603-A1607 WeakPolarHBondContact O-CB 3.45Å; R1603-A1607 PolarHBondContact O-N 3.33Å; S1604-A1607 WeakPolarHBondContact O-CB 3.2Å; S1604-A1607 PolarHBondContact O-N 3.32Å; S1604-A1607 VanDerWaalsContact O-N 3.14Å; L1605-A1607 VanDerWaalsContact C-N 3.26Å; L1605-A1607 PolarHBondContact O-N 3.35Å
1608V40.5Very low42.4Very low87 Ų8779.5 Ų79.553%0.52744%0.438SS..SBendtrans-120.255.4-166.9-159.30000114.4
1609S30.7Very low41.3Very low106 Ų10678.3 Ų78.374%0.74143%0.434SS*.  trans69.7-173.5149.4-470000116
1610P28.6Very low40.2Very low107 Ų10776.3 Ų76.370%0.69542%0.423SS*.  -131.9165.7-105.734.6-13.7000117.2
1611N29.6Very low39.3Very low137 Ų13778.1 Ų78.173%0.73343%0.43SS*.  trans129.5116.5145-72.8-68.5000116.6
1612L28Very low38.6Very low149 Ų14980 Ų8078%0.7844%0.442SS*.  trans61.1146.2148.7-77.497.4000120.2
1613N32.8Very low37.8Very low133 Ų13384 Ų8471%0.71146%0.457SS*.  cis-175153.2-24.4-132.8-7.6000110.6
1614V32.5Very low37Very low101 Ų10182.4 Ų82.461%0.61246%0.458SS*.  trans75.696138.91660000121
1615N35.5Very low36.2Very low84 Ų8486.4 Ų86.445%0.44950%0.5SS..  91.2131103.3-73.9-10.2000127Q593Q593-N1615 VanDerWaalsContact NE2-C 3.28Å; Q593-N1615 PolarHBondContact NE2-O 3.34Å
1616R34Very low35.4Very low96 Ų9688.9 Ų88.936%0.36253%0.534SS..  74.3169.7119.8-63.2172.396.6153.19.6121.1Q593 A630Q593-R1616 VanDerWaalsContact NE2-N 3.11Å; Q593-R1616 PolarHBondContact NE2-O 3.12Å; A630-R1616 PolarHBondContact O-NH2 2.86Å
1617E36.5Very low34.6Very low62 Ų6285 Ų8529%0.2953%0.526SS..  cis-169156.6-16.8-118.3-160.6-10900120.3D597 H631 R1619D597-E1617 VanDerWaalsContact OD1-CA 3.23Å; D597-E1617 WeakPolarHBondContact OD1-CA 3.49Å; D597-E1617 PolarHBondContact OD1-N 2.9Å; H631-E1617 VanDerWaalsContact CD2-CD 3.45Å; H631-E1617 WeakPolarHBondContact CD2-CG 3.34Å; H631-E1617 IonicContact CD2-OE1 2.7Å; H631-E1617 IonicContact CD2-OE2 3.39Å; H631-E1617 WeakPolarHBondContact CE1-CG 3.42Å; H631-E1617 IonicContact CE1-OE1 2.74Å; H631-E1617 IonicContact CG-OE1 3.6Å; H631-E1617 IonicContact CG-OE2 3.15Å; H631-E1617 IonicContact ND1-OE1 3.19Å; H631-E1617 PolarHBondContact ND1-OE1 2.92Å; H631-E1617 WeakPolarHBondContact NE2-CG 3.35Å; E1617-R1619 IonicContact OE2-NH1 2.7Å
1618S34Very low33.9Very low28 Ų2883.2 Ų83.220%0.19652%0.515CS..  trans10285.9151.4-41.60000124.2L596 D597 N598L596-S1618 CarbonylContact O-C 3.47Å; L596-S1618 WeakPolarHBondContact O-CA 3.31Å; L596-S1618 PolarHBondContact O-N 3.23Å; L596-S1618 PolarHBondContact O-OG 3.47Å; D597-S1618 CarbonylContact C-O 3.51Å; D597-S1618 VanDerWaalsContact CA-C 3.48Å; N598-S1618 VanDerWaalsContact C-C 3.48Å; N598-S1618 CarbonylContact C-O 3.57Å; N598-S1618 WeakPolarHBondContact CA-O 3.32Å; N598-S1618 PolarHBondContact N-O 3.38Å
1619R35.3Very low33.6Very low28 Ų2883.8 Ų83.811%0.10651%0.514CS..BIsolated β-bridgecis-158.30-5.9-148.2-176.8-168.7129-21.8117L595 L596 D597 N598 N599 A600 H631 E632 E1617L595-R1619 CarbonylContact O-C 3.05Å; L596-R1619 VanDerWaalsContact C-CA 3.46Å; L596-R1619 HydrophobicContact CD2-CG 3.86Å; L596-R1619 WeakPolarHBondContact O-CA 3.33Å; L596-R1619 VanDerWaalsContact O-CB 3.32Å; L596-R1619 WeakPolarHBondContact O-CB 3.37Å; L596-R1619 PolarHBondContact O-N 3.47Å; D597-R1619 VanDerWaalsContact C-N 3.3Å; N598-R1619 WeakPolarHBondContact CA-O 3.33Å; N598-R1619 VanDerWaalsContact N-C 3.34Å; N598-R1619 PolarHBondContact N-O 2.89Å; N598-R1619 PolarHBondContact O-N 3.18Å; N599-R1619 VanDerWaalsContact C-C 3.47Å; N599-R1619 VanDerWaalsContact CA-C 3.43Å; N599-R1619 VanDerWaalsContact CA-N 3.27Å; A600-R1619 VanDerWaalsContact C-CG 3.46Å; A600-R1619 HydrophobicContact CB-CB 3.65Å; A600-R1619 HydrophobicContact CB-CG 3.51Å; A600-R1619 VanDerWaalsContact O-CD 3.23Å; A600-R1619 WeakPolarHBondContact O-CD 3.43Å; H631-R1619 VanDerWaalsContact C-NH2 3.26Å; H631-R1619 VanDerWaalsContact O-CZ 3.31Å; H631-R1619 PolarHBondContact O-NH1 2.75Å; H631-R1619 PolarHBondContact O-NH2 2.97Å; E632-R1619 VanDerWaalsContact CD-NH2 3.33Å; E632-R1619 IonicContact OE1-NH2 3.06Å; E632-R1619 IonicContact OE2-CZ 3.29Å; E632-R1619 IonicContact OE2-NH2 3.63Å; E632-R1619 PolarHBondContact OE2-NH2 3.43Å; E1617-R1619 IonicContact OE2-NH1 2.7Å
1620S33.9Very low33.5Very low17 Ų1782.7 Ų82.712%0.11951%0.506CS..  0166.7044.10000121.5P566 V569 N570 N598 N599P566-S1620 VanDerWaalsContact O-O 3.11Å; P566-S1620 PolarHBondContact O-OG 2.86Å; V569-S1620 WeakPolarHBondContact CA-O 3.24Å; V569-S1620 WeakPolarHBondContact CB-O 3.32Å; V569-S1620 WeakPolarHBondContact CG2-O 3.28Å; V569-S1620 PolarHBondContact N-O 3.45Å; N570-S1620 PolarHBondContact N-O 2.95Å; N598-S1620 VanDerWaalsContact CB-OG 3.23Å; N598-S1620 WeakPolarHBondContact CB-OG 3.31Å; N599-S1620 VanDerWaalsContact CA-CB 3.42Å; N599-S1620 PolarHBondContact N-OG 3Å; N599-S1620 WeakPolarHBondContact O-CA 3.33Å; N599-S1620 WeakPolarHBondContact O-CB 3.2Å
1621H37.7Very low33.6Very low49 Ų4986.4 Ų86.423%0.22752%0.515CS..  cis177.8141.8-44-114-45.1000114K567 N570 N599 A600 Q601K567-H1621 CarbonylContact O-C 3.59Å; K567-H1621 PolarHBondContact O-N 2.91Å; N570-H1621 PolarHBondContact ND2-CE1 3.43Å; N570-H1621 PolarHBondContact ND2-ND1 3.15Å; N570-H1621 VanDerWaalsContact ND2-ND1 3.17Å; N570-H1621 PolarHBondContact ND2-NE2 3.07Å; N599-H1621 PolarHBondContact O-CD2 3.26Å; N599-H1621 VanDerWaalsContact O-CD2 3.29Å; A600-H1621 VanDerWaalsContact CA-CD2 3.49Å; A600-H1621 WeakPolarHBondContact CA-CD2 3.4Å; Q601-H1621 WeakPolarHBondContact CG-NE2 3.47Å; Q601-H1621 PolarHBondContact NE2-NE2 3.11Å; Q601-H1621 PolarHBondContact OE1-CE1 2.84Å; Q601-H1621 PolarHBondContact OE1-NE2 2.86Å
1622S34Very low33.6Very low53 Ų5384.6 Ų84.637%0.37151%0.513SS..  cis175.8172.2-28.5540000115.7N570N570-S1622 WeakPolarHBondContact O-CA 3.33Å; N570-S1622 VanDerWaalsContact O-CB 3.24Å; N570-S1622 WeakPolarHBondContact O-CB 3.45Å
1623K37.7Very low33.7Very low148 Ų14884 Ų8464%0.64352%0.515SS*.  trans91.8157154.6-61.2-176.7162.4-81.10124
1624D35.2Very low33.6Very low98 Ų9884.1 Ų84.152%0.52452%0.516SS..  cis-171.1146.1-22.2-87.3-15.1000115.6I572I572-D1624 WeakPolarHBondContact CD1-OD1 3.38Å
1625G36Very low33.4Very low88 Ų8885.5 Ų85.591%0.90753%0.525SS*.  trans77154.8146.900000124.8
1626G33.7Very low33.1Very low89 Ų8984.8 Ų84.892%0.91854%0.537SS*.  cis154.6146-17.200000118.5
1627G33.5Very low32.8Very low53 Ų5392.2 Ų92.255%0.54657%0.566SS.*  trans144.1135.3157.900000121.7A842 P843A842-G1627 WeakPolarHBondContact CB-O 3.23Å; P843-G1627 WeakPolarHBondContact CB-O 3.3Å
1628G32.1Very low32.3Very low34 Ų3492.4 Ų92.435%0.35159%0.586SS.*  trans-123.3171.7-168.700000120.4S844S844-G1628 CarbonylContact C-O 3.53Å; S844-G1628 VanDerWaalsContact C-O 3.29Å; S844-G1628 WeakPolarHBondContact CA-O 3.49Å
1629L34.8Very low31.9Very low100 Ų10097.9 Ų97.952%0.52462%0.618SS.*  trans163.6177.5157.2-82.5-152.7000113.2S844 P845S844-L1629 VanDerWaalsContact O-CB 3.3Å; S844-L1629 WeakPolarHBondContact O-CB 3.47Å; S844-L1629 WeakPolarHBondContact O-CD1 3.44Å; S844-L1629 WeakPolarHBondContact O-CG 3.35Å; P845-L1629 HydrophobicContact CB-CG 4.48Å
1630S29Very low31.6Very low82 Ų82105.9 Ų105.957%0.57366%0.657SS**  -178.7147.6-64.8600000116
1631E29.8Very low31.2Very low186 Ų186112.3 Ų112.387%0.86970%0.695SS**  trans69.6155155.3-70.6174.6-165.400122
1632S29.3Very low30.6Very low99 Ų99113.1 Ų113.169%0.69272%0.717SS**  cis-169.8-166-16.6590000112.1
1633V31.7Very low30.2Very low137 Ų137116.3 Ų116.383%0.8374%0.739SS**  trans92.7135.9170.5178.30000118.3
1634D28.8Very low29.5Very low134 Ų134115.4 Ų115.472%0.71775%0.746SS**  cis-171.1164.5-27.7-151.5-15.5000113.3
1635T28.5Very low29Very low131 Ų131115.4 Ų115.480%0.80475%0.75SS**  trans69.2135.5161.664.70000123
1636G29.5Very low28.4Very low68 Ų68114.2 Ų114.270%0.70172%0.722SS**  trans15247.7155.900000123.1
1637Y27.8Very low28Very low252 Ų252115.5 Ų115.599%0.98871%0.707SS**  trans64.4153.3178.7-67.8-91.1000116.3
1638G26.3Very low27.5Very low67 Ų67116.8 Ų116.869%0.69171%0.706SS**  cis-157.3-12.83.100000117.5
1639T26.3Very low27.1Very low143 Ų143118.6 Ų118.688%0.87771%0.71SS**  trans-136132.8174.125.80000110.9
1640Q27.3Very low26.8Very low196 Ų196115.5 Ų115.592%0.91670%0.696SS**  trans-11498.1-173.7-72.3-178.5-22.600112.1
1641T26.8Very low26.6Very low151 Ų151114.7 Ų114.793%0.92669%0.688SS**  trans-156.9148.6138.421.70000106.5
1642G25.4Very low26.3Very low67 Ų67110.3 Ų110.369%0.69167%0.674SS**  cis151.253.72.800000111.5
1643S25.3Very low25.9Very low120 Ų120107.4 Ų107.484%0.83965%0.65SS**  trans4491169.6-57.80000117.6
1644T23.7Very low25.6Very low128 Ų128105.1 Ų105.179%0.78564%0.637SS**  -140139.7128.3-53.90000109.2
1645T23.3Very low25.3Very low98 Ų98104 Ų10460%0.60163%0.626SS**  trans-50.3157.7166.828.40000112.7
1646L24.7Very low25Very low63 Ų63102 Ų10233%0.3361%0.613SS.*  cis-141.6-175.90.6-98.7146.3000105.7N1473 Q1474N1473-L1646 VanDerWaalsContact ND2-CB 3.33Å; N1473-L1646 WeakPolarHBondContact ND2-CB 3.25Å; N1473-L1646 WeakPolarHBondContact OD1-CB 3.49Å; N1473-L1646 PolarHBondContact OD1-N 2.84Å; N1473-L1646 PolarHBondContact OD1-O 3.21Å; Q1474-L1646 PolarHBondContact N-O 3.16Å
1647I24.5Very low24.7Very low116 Ų116103 Ų10360%0.59560%0.601SS**  cis66.7104.611.6-49.4172.7000119.8N1473 Q1474N1473-I1647 VanDerWaalsContact CB-C 3.5Å; Q1474-I1647 PolarHBondContact O-N 3.28Å
1648P23Very low24.5Very low80 Ų8096.5 Ų96.552%0.51959%0.592SS.*  cis-134.7177.7-20.741.3-23.1000113.7N1473N1473-P1648 VanDerWaalsContact CB-C 3.42Å
1649T23.4Very low24.4Very low72 Ų7298.2 Ų98.244%0.44259%0.593SS.*  trans47.4154.8147.757.70000124.8Y1472Y1472-T1649 HydrophobicContact CE1-CG2 4.07Å
1650T28Very low24.2Very low36 Ų3694.4 Ų94.422%0.22157%0.57CS.*  -23.8173.2128.326.70000117Y1472Y1472-T1650 HydrophobicContact CD2-CG2 3.9Å; Y1472-T1650 HydrophobicContact CE2-CG2 3.37Å; Y1472-T1650 WeakPolarHBondContact CE2-OG1 3.42Å; Y1472-T1650 PolarHBondContact OH-OG1 3.43Å; Y1472-T1650 VanDerWaalsContact OH-OG1 3.08Å
1651P24.9Very low24Very low64 Ų6491.6 Ų91.642%0.41656%0.56SS.*  cis-132.4-146.48.330.2-4.9000111.6P1470P1470-P1651 WeakPolarHBondContact CB-O 3.35Å; P1470-P1651 VanDerWaalsContact CG-O 3.31Å; P1470-P1651 WeakPolarHBondContact CG-O 3.49Å
1652V23.2Very low23.9Very low94 Ų9492 Ų9257%0.5755%0.546SS*.  trans73.180.8170-1690000111.1
1653I22.4Very low23.8Very low39 Ų3992 Ų9220%0.253%0.532CS..  cis57.7118.242.6-115.5-174.9000111.6L1347 Q1350L1347-I1653 HydrophobicContact CB-CD1 4.45Å; L1347-I1653 HydrophobicContact CD2-CD1 3.73Å; L1347-I1653 HydrophobicContact CD2-CG1 4.44Å; Q1350-I1653 HydrophobicContact CB-CD1 3.57Å; Q1350-I1653 HydrophobicContact CG-CD1 4.4Å
1654T23.9Very low23.9Very low89 Ų8991.8 Ų91.855%0.54652%0.521SS..  trans45.6129.4159.672.40000119.4
1655K22.9Very low24.1Very low111 Ų11186.3 Ų86.348%0.48349%0.488SS..  163.2136.2108.2-80.3-125.8171.4-167.30109.6G1454 G1455G1454-K1655 VanDerWaalsContact C-NZ 3.35Å; G1454-K1655 WeakPolarHBondContact O-CE 3.29Å; G1454-K1655 PolarHBondContact O-NZ 3.29Å; G1455-K1655 PolarHBondContact O-NZ 3.1Å
1656T21.9Very low24.3Very low87 Ų8782.4 Ų82.453%0.53446%0.464SS..  cis-157.3152.5-9.8-1.80000111.2
1657M24.5Very low24.3Very low90 Ų9081.3 Ų81.344%0.44346%0.458SS..  trans-12121.1146.2-59.1173114.100116.5L1457L1457-M1657 HydrophobicContact CD1-SD 4.22Å
1658S22.1Very low24.4Very low115 Ų11578.7 Ų78.780%0.80445%0.45SS*.  trans-168.9118.4144.5-74.20000105.7
1659S24.5Very low24.5Very low103 Ų10381.2 Ų81.272%0.7246%0.459SS*.  cis-142.21414.655.50000108.5
1660T23Very low24.7Very low64 Ų6483.1 Ų83.139%0.39347%0.47SS..  54.9144.461.5-37.30000113.6
1661I23.1Very low24.6Very low137 Ų13787.5 Ų87.570%0.70349%0.492SS*.  trans90.493.4171.7-49.1-174.6000116.3
1662Y24Very low24.7Very low160 Ų16089.9 Ų89.963%0.62750%0.502SS*.  trans28.2121.3132.9-65.1-91.8000118.4D1461D1461-Y1662 VanDerWaalsContact OD2-CE2 3.3Å; D1461-Y1662 WeakPolarHBondContact OD2-CE2 3.46Å; D1461-Y1662 VanDerWaalsContact OD2-CZ 3.3Å; D1461-Y1662 PolarHBondContact OD2-OH 3.46Å
1663T22.7Very low24.9Very low66 Ų6690.2 Ų90.241%0.40551%0.508SS..  -170.912196.529.90000113.8K1883 S1884T1663-K1883 VanDerWaalsContact CG2-N 3.33Å; T1663-K1883 WeakPolarHBondContact OG1-CA 3.44Å; T1663-K1883 PolarHBondContact OG1-N 3.36Å; T1663-S1884 VanDerWaalsContact O-O 3.1Å
1664L27.6Very low25.1Very low116 Ų11695.9 Ų95.961%0.60753%0.531SS*.  -65.4159.9123.4-47.9178.8000107.2A1885L1664-A1885 HydrophobicContact CB-CB 4.07Å; L1664-A1885 HydrophobicContact CD2-CB 3.47Å; L1664-A1885 VanDerWaalsContact CD2-CB 3.47Å; L1664-A1885 HydrophobicContact CG-CB 4.38Å
1665P29Very low25.1Very low13 Ų13100 Ų1008%0.08454%0.544CS..  cis-160.4149.836.921.210.1000121.6G1704 K1705 S1706 A1885P1665-G1704 VanDerWaalsContact CG-C 3.42Å; P1665-G1704 VanDerWaalsContact CG-CA 3.42Å; P1665-K1705 VanDerWaalsContact CD-C 3.4Å; P1665-K1705 WeakPolarHBondContact CD-O 3.25Å; P1665-K1705 VanDerWaalsContact CG-C 3.41Å; P1665-K1705 WeakPolarHBondContact CG-O 3.5Å; P1665-K1705 CarbonylContact O-C 3.59Å; P1665-K1705 WeakPolarHBondContact O-CA 3.36Å; P1665-S1706 WeakPolarHBondContact CD-O 3.3Å; P1665-S1706 PolarHBondContact O-N 2.76Å; P1665-A1885 VanDerWaalsContact C-N 3.28Å
1666T26.4Very low25.3Very low15 Ų1599.4 Ų99.49%0.09255%0.554CS.*  trans67.7138.1147.766.80000127.6G1704 K1705 A1885 D1886T1666-G1704 WeakPolarHBondContact CG2-O 3.28Å; T1666-G1704 PolarHBondContact OG1-O 3.45Å; T1666-K1705 PolarHBondContact O-NZ 2.92Å; T1666-K1705 WeakPolarHBondContact OG1-CA 3.42Å; T1666-K1705 VanDerWaalsContact OG1-CB 3.24Å; T1666-K1705 WeakPolarHBondContact OG1-CB 3.28Å; T1666-K1705 WeakPolarHBondContact OG1-CE 3.31Å; T1666-K1705 WeakPolarHBondContact OG1-CG 3.34Å; T1666-K1705 PolarHBondContact OG1-NZ 2.85Å; T1666-A1885 CarbonylContact C-O 3.55Å; T1666-A1885 VanDerWaalsContact C-O 3.26Å; T1666-A1885 WeakPolarHBondContact CA-O 3.39Å; T1666-A1885 PolarHBondContact N-O 3.29Å; T1666-D1886 CarbonylContact C-O 3.6Å; T1666-D1886 WeakPolarHBondContact CA-O 3.03Å; T1666-D1886 HydrophobicContact CG2-CB 3.65Å
1667L26.1Very low25.5Very low41 Ų41102.4 Ų102.422%0.21556%0.562CS.*  -59.2133.8128.6-88.9-170.1000115.9K1705 D1886 Q1887 D1888L1667-K1705 VanDerWaalsContact C-CE 3.44Å; L1667-D1886 PolarHBondContact N-O 2.8Å; L1667-Q1887 HydrophobicContact CB-CB 4.16Å; L1667-Q1887 VanDerWaalsContact CD1-C 3.48Å; L1667-Q1887 HydrophobicContact CD1-CB 4.22Å; L1667-D1888 HydrophobicContact CD1-CB 3.31Å; L1667-D1888 VanDerWaalsContact CD1-N 3.3Å; L1667-D1888 WeakPolarHBondContact CD1-OD2 3.24Å
1668S25.5Very low25.6Very low61 Ų61104.9 Ų104.943%0.42757%0.57SS.*  trans175.8138.9145.4128.40000105.9K1705S1668-K1705 VanDerWaalsContact O-CE 3.25Å; S1668-K1705 WeakPolarHBondContact O-CE 3.24Å; S1668-K1705 PolarHBondContact O-NZ 3.26Å; S1668-K1705 VanDerWaalsContact O-NZ 3.17Å
1669N26.5Very low25.6Very low133 Ų133107.1 Ų107.171%0.71157%0.568SS**  cis-153.21464.9-116.9-6.6000111.9
1670V25.9Very low25.8Very low111 Ų111108.4 Ų108.467%0.67357%0.571SS**  26.5119.1115.1178.80000115.9
1671D26Very low25.8Very low129 Ų129113 Ų11369%0.6959%0.589SS**  -166149.4104.2-126.8-23.4000117.2
1672N28Very low25.9Very low114 Ų114114.1 Ų114.161%0.6159%0.591SS**  trans47.3127152.9-74.2-60.2000119.8
1673S26.1Very low25.9Very low100 Ų100114.4 Ų114.470%0.69960%0.598SS**  cis171.7166.141.933.70000109.6
1674K26.8Very low26.1Very low159 Ų159117.6 Ų117.669%0.69161%0.611SS**  cis-171154.1-4.2-110164.5-169.1163.80109.4
1675Q25.1Very low26Very low174 Ų174119.2 Ų119.281%0.81362%0.619SS**  trans69.3156.7160.8-60.4157.7-87.200114.6
1676S26.1Very low25.8Very low100 Ų100126.4 Ų126.470%0.69965%0.651SS**  cis-156.3149.79.1-3.90000114.2
1677E25.7Very low25.7Very low149 Ų149131.1 Ų131.170%0.69668%0.682SS**  trans68.2115.6139.5-65.8-165.9124.100124.7
1678K26.6Very low25.6Very low142 Ų142135.2 Ų135.262%0.61771%0.708SS**  87.4120118.5-73.8177.4171.5152.40124.7
1679E24Very low25.5Very low162 Ų162137.5 Ų137.576%0.75772%0.72SS**  82.6155.1124.5-66.9166.6-161.300122.1
1680V27.5Very low25.4Very low130 Ų130137.7 Ų137.779%0.78873%0.726SS**  trans82.583.1166.3-160.10000120.1
1681E23.9Very low25.3Very low162 Ų162137.1 Ų137.176%0.75772%0.722SS**  44.3140.2120.9-69.5-168.6-164.500125.6
1682Q24.4Very low25.1Very low159 Ų159137.6 Ų137.674%0.74373%0.73SS**  trans101.5131.2137.9-85.8173.36500122.6
1683E24.1Very low24.8Very low167 Ų167134.9 Ų134.978%0.7873%0.73SS**  trans79.6144.7154.4-69.6-152.5146.600124.3
1684I26.5Very low24.7Very low132 Ų132138.9 Ų138.968%0.67773%0.729SS**  trans74.497.6157.7-63.6152.1000120.9
1685I26Very low24.4Very low151 Ų151139.8 Ų139.877%0.77473%0.733SS**  35.690.7129-41.5167.9000118.4
1686Q25.5Very low24.4Very low163 Ų163140.3 Ų140.376%0.76273%0.729SS**  -174.4152.1106-95.2-164.538.200111.7
1687P23.8Very low24.3Very low114 Ų114139 Ų13974%0.7472%0.72SS**  trans-96.892.9179.536-30.7000112.5
1688V23.3Very low24.2Very low127 Ų127134.8 Ų134.877%0.7772%0.717SS**  trans-10687.6161.2-175.90000109.5V1690V1688-V1690 PolarHBondContact O-N 2.85Å
1689T23Very low24.4Very low110 Ų110136.4 Ų136.468%0.67573%0.731SS**  trans-64.3116.3164.645.50000111
1690V25Very low24.3Very low137 Ų137132.8 Ų132.883%0.8372%0.724SS**  trans-127.565.9139.8-1680000108.8V1688 T1692V1688-V1690 PolarHBondContact O-N 2.85Å; V1690-T1692 PolarHBondContact O-N 3.49Å
1691T25Very low24.3Very low98 Ų98131.8 Ų131.860%0.60172%0.72SS**  trans-63.5118.5167.645.10000110.5G1693T1691-G1693 PolarHBondContact O-N 3.27Å
1692T21.6Very low24.4Very low139 Ų139133.6 Ų133.685%0.85372%0.721SS**SBendtrans1697.6131.357.30000117.2V1690V1690-T1692 PolarHBondContact O-N 3.49Å
1693G21.9Very low24.5Very low58 Ų58132 Ų13260%0.59872%0.722SS**  trans79.4150.5173.600000113.8T1691T1691-G1693 PolarHBondContact O-N 3.27Å
1694R22.6Very low24.7Very low183 Ų183125.1 Ų125.169%0.69170%0.696SS**  cis-86.715015.4-64.2171.7-175.9167.7-0.7111.9
1695K22.2Very low24.6Very low178 Ų178121.2 Ų121.277%0.77467%0.674SS**  cis52.659.27.4-80.2-169.7176.1178.80115.3S1697K1695-S1697 VanDerWaalsContact C-OG 3.27Å; K1695-S1697 PolarHBondContact O-OG 3.29Å
1696Y23.5Very low24.5Very low185 Ų185114.3 Ų114.373%0.72564%0.639SS**  -97.4128.6105-68.1-81.9000105
1697S23.6Very low24.5Very low73 Ų73108.1 Ų108.151%0.5161%0.611SS.*  cis56.771.74.368.40000115.2K1695K1695-S1697 VanDerWaalsContact C-OG 3.27Å; K1695-S1697 PolarHBondContact O-OG 3.29Å
1698G23.6Very low24.5Very low61 Ų61105.7 Ų105.763%0.62959%0.594SS**SBendtrans165.590.6164.600000112.2
1699L31.1Very low24.4Very low176 Ų176103.3 Ų103.392%0.92158%0.577SS**SBendcis-134.587.1-5.4-75165.4000106.8
1700S22.1Very low24.5Very low86 Ų86103.2 Ų103.260%0.60158%0.576SS**  74.3129.669.1-161.90000112.7
1701P27Very low24.5Very low108 Ų10899.7 Ų99.770%0.70156%0.555SS**  trans-111.5175.1-15214.89.1000114.2
1702Y26.4Very low24.6Very low201 Ų20199.5 Ų99.579%0.78856%0.555SS**  trans-109.2119.6151.1-84.5-104.5000106.2
1703V26.2Very low25Very low124 Ų12494.7 Ų94.775%0.75253%0.533SS*.  72.214172.7168.90000111.8
1704G29Very low25.4Very low23 Ų2397.5 Ų97.524%0.23753%0.534CS..  trans-142.6-179.7144.300000111.1P1665 T1666P1665-G1704 VanDerWaalsContact CG-C 3.42Å; P1665-G1704 VanDerWaalsContact CG-CA 3.42Å; T1666-G1704 WeakPolarHBondContact CG2-O 3.28Å; T1666-G1704 PolarHBondContact OG1-O 3.45Å
1705K24Very low25.9Very low50 Ų5094.4 Ų94.422%0.21753%0.526CS..  trans-136169.1143.7-57.2-148.388.1-940112.8P1665 T1666 L1667 S1668 D1913 G1914P1665-K1705 VanDerWaalsContact CD-C 3.4Å; P1665-K1705 WeakPolarHBondContact CD-O 3.25Å; P1665-K1705 VanDerWaalsContact CG-C 3.41Å; P1665-K1705 WeakPolarHBondContact CG-O 3.5Å; P1665-K1705 CarbonylContact O-C 3.59Å; P1665-K1705 WeakPolarHBondContact O-CA 3.36Å; T1666-K1705 PolarHBondContact O-NZ 2.92Å; T1666-K1705 WeakPolarHBondContact OG1-CA 3.42Å; T1666-K1705 VanDerWaalsContact OG1-CB 3.24Å; T1666-K1705 WeakPolarHBondContact OG1-CB 3.28Å; T1666-K1705 WeakPolarHBondContact OG1-CE 3.31Å; T1666-K1705 WeakPolarHBondContact OG1-CG 3.34Å; T1666-K1705 PolarHBondContact OG1-NZ 2.85Å; L1667-K1705 VanDerWaalsContact C-CE 3.44Å; S1668-K1705 VanDerWaalsContact O-CE 3.25Å; S1668-K1705 WeakPolarHBondContact O-CE 3.24Å; S1668-K1705 PolarHBondContact O-NZ 3.26Å; S1668-K1705 VanDerWaalsContact O-NZ 3.17Å; K1705-D1913 PolarHBondContact NZ-O 2.84Å; K1705-G1914 WeakPolarHBondContact CB-O 3.41Å; K1705-G1914 PolarHBondContact NZ-O 3.38Å
1706S24.6Very low26.1Very low7 Ų795.7 Ų95.75%0.04953%0.527CS..  trans120.4137.3161.1-152.70000118.9P1665 K1883 S1884 G1914 S1915 N1916P1665-S1706 WeakPolarHBondContact CD-O 3.3Å; P1665-S1706 PolarHBondContact O-N 2.76Å; S1706-K1883 CarbonylContact O-C 3.6Å; S1706-K1883 VanDerWaalsContact O-CA 3.3Å; S1706-K1883 WeakPolarHBondContact O-CA 3.4Å; S1706-K1883 WeakPolarHBondContact O-CB 3.28Å; S1706-K1883 WeakPolarHBondContact OG-CE 3.45Å; S1706-S1884 WeakPolarHBondContact O-CA 3.48Å; S1706-S1884 WeakPolarHBondContact O-CB 3.33Å; S1706-G1914 WeakPolarHBondContact CA-O 3.28Å; S1706-G1914 PolarHBondContact N-O 3.02Å; S1706-S1915 VanDerWaalsContact OG-CA 3.31Å; S1706-S1915 WeakPolarHBondContact OG-CA 3.48Å; S1706-N1916 PolarHBondContact OG-N 2.95Å
1707I24.5Very low26.2Very low33 Ų3392.2 Ų92.217%0.16952%0.521CS..  trans-107.8-176.1164-135.1158.4000111.7K1883 S1884 D1913I1707-K1883 WeakPolarHBondContact O-CB 3.39Å; I1707-K1883 WeakPolarHBondContact O-CD 3.26Å; I1707-K1883 WeakPolarHBondContact O-CE 3.22Å; I1707-K1883 PolarHBondContact O-NZ 3.35Å; I1707-S1884 VanDerWaalsContact CD1-OG 3.26Å; I1707-S1884 WeakPolarHBondContact CD1-OG 3.45Å; I1707-S1884 WeakPolarHBondContact CG1-OG 3.41Å; I1707-D1913 HydrophobicContact CG2-CB 4.07Å; I1707-D1913 WeakPolarHBondContact CG2-OD1 3.39Å
1708T23.4Very low26.4Very low62 Ų6292.9 Ų92.938%0.3852%0.522SS..  trans-31.8-178.4-18059.10000121W1881 K1883T1708-W1881 HydrophobicContact CG2-CE3 4.13Å; T1708-W1881 HydrophobicContact CG2-CZ3 4.13Å; T1708-K1883 VanDerWaalsContact C-NZ 3.31Å; T1708-K1883 PolarHBondContact O-NZ 2.99Å
1709D22.6Very low26.5Very low77 Ų7792.4 Ų92.441%0.41251%0.505SS..  trans88.8138.4161.4-67.2-57.6000122.8W1881D1709-W1881 HydrophobicContact CB-CH2 4.46Å
1710V24.8Very low26.4Very low109 Ų10986.5 Ų86.566%0.66147%0.472SS*.  trans62.1160.7163.6161.50000120.2T914T914-V1710 WeakPolarHBondContact CG2-O 3.45Å
1711V24.8Very low26.9Very low63 Ų6382.4 Ų82.438%0.38244%0.443SS..  -120.2-158.7-92.5-156.10000109.4T914 L915T914-V1711 WeakPolarHBondContact OG1-CA 3.37Å; T914-V1711 WeakPolarHBondContact OG1-CB 3.13Å; T914-V1711 VanDerWaalsContact OG1-CG1 3.25Å; T914-V1711 WeakPolarHBondContact OG1-CG1 3.01Å; T914-V1711 WeakPolarHBondContact OG1-CG2 3.4Å; L915-V1711 HydrophobicContact CD1-CG1 4.33Å; L915-V1711 HydrophobicContact CD2-CG2 3.97Å; L915-V1711 HydrophobicContact CG-CG1 4.05Å; L915-V1711 HydrophobicContact CG-CG2 4.11Å
1712P27.6Very low27Very low94 Ų9477.2 Ų77.261%0.6141%0.41SS*.  trans-102.1177.7-130.341.1-25.8000114
1713G30.7Very low27.2Very low37 Ų3767.7 Ų67.738%0.38137%0.372SS..  116.5133.1127.100000119.1
1714D30.2Very low27.5Very low117 Ų11762 Ų6263%0.62634%0.338SS*.  trans79.5107.9140.5-84.7-4.3000121.7
1715K31.7Very low27.6Very low119 Ų11964.7 Ų64.752%0.51735%0.346SS..  78.7112.6125.6-65170.2175.592.20117.1
1716Y26.1Very low27.9Very low205 Ų20566.9 Ų66.980%0.80436%0.359SS*.  90.1142.562.1-95.6-80.1000112.4
1717D27.1Very low28.3Very low111 Ų11170.7 Ų70.759%0.59438%0.382SS*.  trans67.7160.3156.7-74.3-5.6000118.2
1718V27Very low28.5Very low88 Ų8875.7 Ų75.753%0.53341%0.409SS..  cis-148.8117.2-11.3124.20000111.8
1719L26.5Very low28.8Very low50 Ų5078.5 Ų78.526%0.26243%0.431SS..  54.2171.9128.1-28.8176.9000124.7C354 N356 K389C354-L1719 VanDerWaalsContact C-CD2 3.47Å; C354-L1719 HydrophobicContact CB-CB 3.97Å; C354-L1719 HydrophobicContact CB-CD2 3.88Å; C354-L1719 HydrophobicContact CB-CG 4.42Å; C354-L1719 WeakPolarHBondContact O-CD1 3.26Å; C354-L1719 WeakPolarHBondContact O-CD2 3.42Å; C354-L1719 WeakPolarHBondContact O-CG 3.12Å; N356-L1719 WeakPolarHBondContact OD1-CB 3.47Å; K389-L1719 HydrophobicContact CD-CD1 4.33Å
1720K29.2Very low29Very low52 Ų5282.6 Ų82.623%0.22645%0.448CS..  trans71.7156.7176.8-23.9-172.69276.50113A319 Q320 G321 N322 G355 N356 T357A319-K1720 CarbonylContact O-C 3.55Å; Q320-K1720 CarbonylContact C-O 3.59Å; Q320-K1720 VanDerWaalsContact CA-O 3.25Å; Q320-K1720 WeakPolarHBondContact CA-O 3.45Å; G321-K1720 CarbonylContact C-O 3.16Å; G321-K1720 VanDerWaalsContact CA-O 3.3Å; G321-K1720 WeakPolarHBondContact CA-O 3.22Å; G321-K1720 PolarHBondContact N-O 3.26Å; N322-K1720 HydrophobicContact CB-CB 3.58Å; N322-K1720 PolarHBondContact N-O 3.49Å; N322-K1720 WeakPolarHBondContact OD1-CB 3.41Å; G355-K1720 PolarHBondContact O-NZ 3.18Å; N356-K1720 HydrophobicContact CB-CB 4.05Å; N356-K1720 HydrophobicContact CB-CG 4.39Å; N356-K1720 WeakPolarHBondContact ND2-CA 3.46Å; N356-K1720 PolarHBondContact ND2-N 3.21Å; N356-K1720 VanDerWaalsContact OD1-CA 3.25Å; N356-K1720 WeakPolarHBondContact OD1-CA 3.4Å; N356-K1720 PolarHBondContact OD1-N 2.91Å; T357-K1720 PolarHBondContact OG1-NZ 3.04Å
1721G31.2Very low29.4Very low0 Ų082.6 Ų82.60%045%0.45CS..  cis146.2176.4-400000115.5A318 A319 N322 N323A318-G1721 CarbonylContact C-O 3.08Å; A318-G1721 CarbonylContact O-C 3.31Å; A318-G1721 VanDerWaalsContact O-CA 3.29Å; A318-G1721 WeakPolarHBondContact O-CA 3.38Å; A318-G1721 PolarHBondContact O-N 3.04Å; A319-G1721 PolarHBondContact O-N 3.49Å; N322-G1721 CarbonylContact C-O 3.24Å; N322-G1721 WeakPolarHBondContact CA-O 3.45Å; N322-G1721 PolarHBondContact N-O 2.86Å; N323-G1721 CarbonylContact C-O 3.46Å; N323-G1721 WeakPolarHBondContact CA-O 3.3Å; N323-G1721 PolarHBondContact N-O 3.1Å
1722V29.5Very low29.5Very low0 Ų083.6 Ų83.60%046%0.46CS..  -170.3149-77.5109.40000114A319 P347 V359 L363A319-V1722 HydrophobicContact CB-CG2 3.32Å; P347-V1722 HydrophobicContact CB-CG2 4.33Å; V359-V1722 HydrophobicContact CB-CB 3.79Å; V359-V1722 HydrophobicContact CB-CG1 3.63Å; V359-V1722 HydrophobicContact CG1-CB 3.37Å; V359-V1722 HydrophobicContact CG1-CG1 3.41Å; V359-V1722 VanDerWaalsContact CG1-CG1 3.41Å; V359-V1722 HydrophobicContact CG1-CG2 4.08Å; V359-V1722 HydrophobicContact CG2-CB 3.68Å; V359-V1722 HydrophobicContact CG2-CG1 3.74Å; V359-V1722 WeakPolarHBondContact O-CG1 3.3Å; L363-V1722 HydrophobicContact CD1-CB 4.48Å; L363-V1722 HydrophobicContact CD1-CG1 3.71Å; L363-V1722 HydrophobicContact CD1-CG2 4.08Å; L363-V1722 HydrophobicContact CG-CG1 3.7Å; L363-V1722 HydrophobicContact CG-CG2 4.44Å
1723E30.2Very low29.5Very low0 Ų086.9 Ų86.90%047%0.471CS..  trans52.5160.6149.2-57.5-171.5177.500129.2L315 A327 R328 I331 V337 P347 I362 L363L315-E1723 HydrophobicContact CD1-CG 3.81Å; L315-E1723 HydrophobicContact CD2-CG 4.24Å; L315-E1723 VanDerWaalsContact CD2-OE1 3.27Å; L315-E1723 WeakPolarHBondContact CD2-OE1 3.24Å; L315-E1723 HydrophobicContact CG-CG 3.83Å; L315-E1723 WeakPolarHBondContact CG-OE1 3.32Å; A327-E1723 CarbonylContact O-C 3.53Å; A327-E1723 WeakPolarHBondContact O-CA 3.31Å; R328-E1723 VanDerWaalsContact CA-O 3.23Å; R328-E1723 WeakPolarHBondContact CA-O 3.38Å; R328-E1723 WeakPolarHBondContact CG-O 3.46Å; R328-E1723 PolarHBondContact N-O 3.26Å; R328-E1723 VanDerWaalsContact N-O 3.12Å; I331-E1723 HydrophobicContact CD1-CB 3.31Å; I331-E1723 VanDerWaalsContact CD1-CD 3.44Å; I331-E1723 HydrophobicContact CD1-CG 3.28Å; V337-E1723 WeakPolarHBondContact CG1-OE2 3.45Å; P347-E1723 WeakPolarHBondContact CB-OE1 3.23Å; P347-E1723 WeakPolarHBondContact CG-OE1 3.35Å; I362-E1723 HydrophobicContact CG2-CB 4.14Å; I362-E1723 WeakPolarHBondContact CG2-O 3.46Å; L363-E1723 WeakPolarHBondContact CD2-OE1 3.31Å; L363-E1723 WeakPolarHBondContact CD2-OE2 3.32Å; L363-E1723 HydrophobicContact CG-CG 4.39Å; L363-E1723 VanDerWaalsContact CG-OE2 3.26Å; L363-E1723 WeakPolarHBondContact CG-OE2 3.43Å
1724N33.1Very low29.4Very low5 Ų590.1 Ų90.13%0.02748%0.484CS..  trans80.1115.1150.5-72.3-51.8000122.2A327 R328 I331 I362 N366A327-N1724 PolarHBondContact O-N 3.34Å; R328-N1724 VanDerWaalsContact CA-C 3.43Å; R328-N1724 WeakPolarHBondContact CA-O 3.32Å; R328-N1724 VanDerWaalsContact CB-O 3.23Å; R328-N1724 WeakPolarHBondContact CB-O 3.23Å; R328-N1724 WeakPolarHBondContact CG-O 3.34Å; R328-N1724 CarbonylContact O-C 3.57Å; R328-N1724 VanDerWaalsContact O-C 3.31Å; I331-N1724 WeakPolarHBondContact CD1-OD1 3.49Å; I331-N1724 WeakPolarHBondContact CG2-OD1 3.34Å; I362-N1724 HydrophobicContact CG2-CB 3.58Å; I362-N1724 PolarHBondContact O-ND2 3.21Å; N366-N1724 HydrophobicContact CB-CB 4.33Å; N366-N1724 VanDerWaalsContact CB-ND2 3.29Å; N366-N1724 WeakPolarHBondContact CB-ND2 3.34Å; N366-N1724 WeakPolarHBondContact CB-OD1 3.49Å; N366-N1724 WeakPolarHBondContact ND2-CB 3.26Å; N366-N1724 PolarHBondContact ND2-ND2 3.5Å
1725I31.5Very low29.2Very low80 Ų8088.4 Ų88.441%0.4147%0.474SS..  -169.2129.457.6-96.5127.3000114R328 L332 N366R328-I1725 PolarHBondContact O-N 3.03Å; R328-I1725 VanDerWaalsContact O-N 3.11Å; L332-I1725 WeakPolarHBondContact CA-O 3.3Å; L332-I1725 WeakPolarHBondContact CB-O 3.43Å; L332-I1725 VanDerWaalsContact CD1-O 3.23Å; L332-I1725 WeakPolarHBondContact CD1-O 3.23Å; L332-I1725 VanDerWaalsContact N-C 3.35Å; N366-I1725 WeakPolarHBondContact OD1-CD1 3.37Å; N366-I1725 WeakPolarHBondContact OD1-CG1 3.36Å
1726L30Very low29.1Very low95 Ų9589.4 Ų89.450%0.49748%0.481SS..  trans34.9160.2141-48.9174.3000124I331 L332I331-L1726 VanDerWaalsContact C-N 3.3Å; I331-L1726 HydrophobicContact CG2-CD2 3.84Å; I331-L1726 HydrophobicContact CG2-CG 4.31Å; I331-L1726 WeakPolarHBondContact O-CA 3.36Å; I331-L1726 PolarHBondContact O-N 3.26Å; L332-L1726 VanDerWaalsContact CD1-O 3.29Å; L332-L1726 WeakPolarHBondContact CD1-O 3.49Å
1727V31.9Very low29.3Very low88 Ų8889 Ų8953%0.53349%0.486SS..  cis-177.6-175.5-32.988.20000108.9
1728D28.7Very low29.5Very low137 Ų13790.3 Ų90.373%0.73349%0.493SS*.  trans63.4128.3159.5-85.1-25.4000123.8
1729S29.8Very low29.7Very low121 Ų12191.7 Ų91.785%0.84650%0.498SS*.  -174.5124.1101.8-75.50000113.9
1730Q28.1Very low29.7Very low163 Ų16396.6 Ų96.676%0.76252%0.517SS*.  trans-75.8171.2165.9-96.5-80.6-36.400110.7S1732Q1730-S1732 VanDerWaalsContact OE1-N 3.16Å
1731P31.8Very low29.8Very low110 Ų110101.5 Ų101.571%0.71454%0.544SS*.  -159.3152.255.245.1-22.1000122.5
1732S26.9Very low29.6Very low84 Ų84108.2 Ų108.259%0.58758%0.58SS**  trans51.713613174.30000124.4Q1730Q1730-S1732 VanDerWaalsContact OE1-N 3.16Å
1733L28.7Very low29.5Very low162 Ų162113.3 Ų113.385%0.84862%0.615SS**  178.6165.5102.9-100.2163.3000114.5
1734T27.6Very low29.4Very low106 Ų106118.1 Ų118.165%0.6565%0.649SS**  trans-123.3174.8-17764.50000113E1736T1734-E1736 VanDerWaalsContact CB-OE2 3.31Å; T1734-E1736 WeakPolarHBondContact CB-OE2 3.49Å; T1734-E1736 PolarHBondContact OG1-OE2 2.95Å
1735I27.2Very low29.3Very low80 Ų80124.3 Ų124.341%0.4169%0.687SS.*  trans159.8121.4151.2-85.2154.9000108.5
1736E29.8Very low29.2Very low141 Ų141123.8 Ų123.866%0.65970%0.701SS**  79.1140.454.2-58.3138.159.800110.4T1734T1734-E1736 VanDerWaalsContact CB-OE2 3.31Å; T1734-E1736 WeakPolarHBondContact CB-OE2 3.49Å; T1734-E1736 PolarHBondContact OG1-OE2 2.95Å
1737E30.1Very low29.7Very low196 Ų196125.2 Ų125.292%0.91672%0.716SS**  cis-126.4-93.526-57.7-177.2109.700117.4
1738D31.3Very low29.9Very low139 Ų139125.8 Ų125.874%0.74372%0.722SS**  trans-157.8-172.2-138.1-169.216.8000116.6K1740D1738-K1740 IonicContact OD2-NZ 3.57Å; D1738-K1740 PolarHBondContact OD2-NZ 2.95Å
1739D30.6Very low30.1Very low117 Ų117124.4 Ų124.463%0.62672%0.718SS**  trans123.697.9141.5-129.24.3000121.9
1740K27.4Very low30.2Very low152 Ų152124.7 Ų124.766%0.66171%0.71SS**  trans26.4138.9136.6-52.9168.4-16163.90122.4D1738D1738-K1740 IonicContact OD2-NZ 3.57Å; D1738-K1740 PolarHBondContact OD2-NZ 2.95Å
1741I31.2Very low30.5Very low156 Ų156124 Ų12480%0.871%0.707SS**  173.4129.5114.1-87.6158.6000114.9
1742N26.8Very low30.5Very low141 Ų141126.2 Ų126.275%0.75471%0.708SS**  trans7.8140.2156.4-57.1-24.3000125.1
1743S26.4Very low30.6Very low106 Ų106128.5 Ų128.574%0.74171%0.711SS**  104.4114.6122.565.30000123.8
1744S27.7Very low30.8Very low102 Ų102126.9 Ų126.971%0.71371%0.708SS**  96.5149.9126.875.20000122.2
1745T31.7Very low30.8Very low134 Ų134127.6 Ų127.682%0.82271%0.711SS**  trans58.9103.7167.254.30000119.9
1746G30.5Very low31.4Very low69 Ų69129 Ų12971%0.71173%0.726SS**  trans-87.7-135.3139.700000109.3
1747P40.6Very low31.3Very low125 Ų125128.4 Ų128.481%0.81273%0.732SS**  cis-127.8-120.2-11.729.7-4000108.1
1748P35.2Very low31.1Very low100 Ų100127 Ų12765%0.64973%0.725SS**  cis-134.2-165.2-34.126.5-1.1000114.2
1749V32.7Very low31Very low109 Ų109125.4 Ų125.466%0.66173%0.725SS**  trans79.4130.4157.7-1690000117.3
1750N32.2Very low30.8Very low126 Ų126126 Ų12667%0.67473%0.728SS**  cis-159.4-126.1-31.9-95.2-11.6000104.5
1751E34.7Very low30.7Very low150 Ų150128.5 Ų128.570%0.70173%0.733SS**  cis-170.7141-11.7-142.5145.2-99.600105.8
1752E31.7Very low30.4Very low155 Ų155128.3 Ų128.372%0.72473%0.733SS**  cis-164.1169.7-24.3-123.9-165.5-168.800105.8
1753M29.1Very low30.5Very low133 Ų133125.5 Ų125.566%0.65574%0.736SS**  cis-163.5-173.60.7177.3164.239.700107.5
1754V32.6Very low30.4Very low128 Ų128128.4 Ų128.478%0.77674%0.738SS**  trans92.6131.5154.8-164.50000117.9
1755V28.4Very low30.4Very low120 Ų120130.9 Ų130.973%0.72774%0.743SS**  -171.2148.1-52.7136.30000109
1756P38.8Very low30Very low110 Ų110128.7 Ų128.771%0.71473%0.733SS**  trans-106.3172.4-170.341.2-37.2000114.9
1757T27.8Very low29.8Very low128 Ų128135.6 Ų135.679%0.78574%0.737SS**  trans-169.1165.2154.1280000109
1758Q26.9Very low29.2Very low168 Ų168134.6 Ų134.679%0.78573%0.729SS**  cis-175.7165.9-39-115.9-173.326.600106.9
1759S27.3Very low28.8Very low105 Ų105136 Ų13673%0.73473%0.731SS**  trans75.6160.6156.1103.90000116.6
1760N26.4Very low28.7Very low129 Ų129136.7 Ų136.769%0.6973%0.731SS**  cis-176165-39-117.9-49.7000110
1761R25.8Very low28.5Very low205 Ų205137.3 Ų137.377%0.77473%0.732SS**  trans66.8105.5151.9-69.5160.5-174.3-172.1-0.2119.8
1762I25.4Very low28.2Very low152 Ų152136.4 Ų136.478%0.77973%0.73SS**  45103.2100.6-55.9159.5000115.3
1763G29.2Very low28Very low81 Ų81133.7 Ų133.784%0.83573%0.728SS**  trans-137.491.1166.600000110.4
1764Q24.5Very low27.8Very low168 Ų168131.8 Ų131.879%0.78573%0.728SS**  trans-67.1147.8175.5-60.6167.4-27.100110.7
1765L26.3Very low27.5Very low154 Ų154130.4 Ų130.481%0.80672%0.724SS**  178.1111.9119.8-92.1158000111.2
1766S24.3Very low27.4Very low87 Ų87131.3 Ų131.361%0.60873%0.725SS**  39.7144.6117.788.20000119.8
1767R27Very low26.8Very low215 Ų215132.2 Ų132.281%0.81172%0.724SS**  cis-175.8175.518-141.3170.5-170.4160.31.1110.2
1768T27.2Very low26.8Very low104 Ų104132.5 Ų132.564%0.63872%0.719SS**  trans62.2139.315157.10000119.4
1769D27.5Very low26.7Very low128 Ų128132.3 Ų132.368%0.68472%0.718SS**  cis-167.2170-14.1-104.3-15.9000108.8
1770D28.9Very low26.7Very low124 Ų124134.8 Ų134.866%0.66372%0.715SS**  trans67.8143.5148.7-68.7-3.7000121
1771M28.6Very low26.7Very low140 Ų140134.6 Ų134.669%0.6971%0.71SS**  cis-159.4154.4-7.7-122.4-178.8-168.300114.9
1772I29.1Very low26.9Very low131 Ų131132.2 Ų132.267%0.67271%0.711SS**  trans58.581.9141.5-72.9167.7000118.9
1773S26.2Very low27Very low97 Ų97131.4 Ų131.468%0.67870%0.704SS**  60.4158.4100.287.20000123.5
1774S25.5Very low27.1Very low94 Ų94135.5 Ų135.566%0.65770%0.699SS**  trans8891.4139.7-64.20000120.5
1775S25.6Very low27.5Very low98 Ų98133.5 Ų133.569%0.68569%0.694SS**  73.8139.9106.6-58.10000121
1776N26.2Very low27.6Very low140 Ų140130.3 Ų130.375%0.74968%0.684SS**  trans79.3136.8142.4-68.3-12.4000119.8
1777N28.1Very low27.9Very low129 Ų129132.3 Ų132.369%0.6969%0.688SS**  trans99.9108.6136.2-73.8-10.2000120.9
1778I25.9Very low28.1Very low133 Ų133128.8 Ų128.868%0.68269%0.685SS**  70.797.8117.6-62.2169.2000116.4
1779H25.2Very low28Very low165 Ų165127.6 Ų127.676%0.76468%0.681SS**  66.3157.7105.8-139.956.5000119.3
1780K27.3Very low28Very low157 Ų157128.3 Ų128.368%0.68368%0.684SS**  trans78.7111171.2-57.7-153167.2-154.90115.2
1781Q26.6Very low28.2Very low124 Ų124130.2 Ų130.258%0.57969%0.693SS**  80.1115.371.3-77.6179.6-85.100112.5E1783Q1781-E1783 PolarHBondContact NE2-OE1 3.27Å
1782I30.9Very low28.1Very low156 Ų156134.1 Ų134.180%0.870%0.702SS**  trans-166.2102.6131.8-88.6141.9000102.1
1783E27.5Very low28.3Very low135 Ų135132.6 Ų132.663%0.63170%0.7SS**  68.4146.169.2-66.5-173.5176.400113.7Q1781Q1781-E1783 PolarHBondContact NE2-OE1 3.27Å
1784K31.8Very low28.3Very low167 Ų167134.7 Ų134.773%0.72670%0.704SS**  trans86.4136.1169.6-54.7-170.1163.9-120.40117.3
1785D32.8Very low28.5Very low126 Ų126136.9 Ų136.967%0.67471%0.713SS**  cis-145.9168.7-13-104.2-28.7000110.7
1786S26.9Very low28.4Very low86 Ų86136.9 Ų136.960%0.60171%0.713SS**  trans-42169.2177.359.80000117.2
1787D31.5Very low28.6Very low129 Ų129137.8 Ų137.869%0.6972%0.716SS**  cis-168.3163.647.9-105.8-52.6000114.9
1788L30.5Very low28.5Very low141 Ų141138.2 Ų138.274%0.73872%0.718SS**  trans40.3112.8145.9-55.4166.2000119.3
1789S24.8Very low28.8Very low80 Ų80137.9 Ų137.956%0.55972%0.722SS**  73.6138.356.383.90000116.5
1790N28.9Very low28.8Very low142 Ų142138.2 Ų138.276%0.75972%0.724SS**  trans84113.6167.8-42.4-47.8000117.3
1791I31.8Very low28.9Very low164 Ų164135.6 Ų135.684%0.84173%0.725SS**  169.499.9107-81.3164.5000108.7
1792Y26.4Very low28.9Very low223 Ų223136.3 Ų136.388%0.87573%0.733SS**  trans-79.6165.2141.1-83.9-89.7000106.9
1793P34.8Very low28.9Very low98 Ų98133.9 Ų133.964%0.63672%0.721SS**  cis-150-167.131.147.5-27.4000116.5
1794D24.6Very low28.9Very low142 Ų142131.6 Ų131.676%0.75972%0.72SS**  trans27.9137.1143.2-47-21.7000121.8
1795V31.2Very low28.8Very low139 Ų139131.7 Ų131.784%0.84272%0.723SS**  -158.7127.6104.1140.70000109.8
1796S23.6Very low28.7Very low99 Ų99132 Ų13269%0.69272%0.724SS**  trans-91.1159.8169.652.30000111.3
1797I30.5Very low29Very low158 Ų158134.3 Ų134.381%0.8174%0.735SS**  trans-157137151.5-99.3142.2000108
1798D24.7Very low28.9Very low139 Ų139136.3 Ų136.374%0.74374%0.74SS**  trans-90.5-150.8-173.3-47-92.7000112.6
1799V31.7Very low28.9Very low125 Ų125138.5 Ų138.576%0.75874%0.739SS**  trans85.388.4-176.1-171.50000111.9
1800E25.7Very low29.3Very low172 Ų172142.9 Ų142.980%0.80475%0.75SS**  63.5135.564.3-61.3-164.3129.100115.2
1801S29.5Very low29.6Very low102 Ų102141.5 Ų141.571%0.71374%0.742SS**  trans68.1151161.579.60000117.5
1802D27.2Very low29.4Very low139 Ų139141 Ų14174%0.74373%0.734SS**  cis-164.4162.9-25.6-111.6-31.5000111
1803L29.8Very low29.7Very low106 Ų106137.1 Ų137.156%0.55573%0.727SS**  trans52.8104149.7-86.873.4000122T1975L1803-T1975 HydrophobicContact CD2-CG2 3.33Å
1804S29.1Very low29.6Very low86 Ų86141.5 Ų141.560%0.60174%0.736SS**  53.5118.8117.768.70000123.5
1805H29.8Very low30Very low170 Ų170141.7 Ų141.779%0.78773%0.732SS**  trans80.5138.4136.7-90.9-79.1000123.7
1806D29.1Very low30Very low131 Ų131139.9 Ų139.970%0.70171%0.714SS**  trans58.395.6154.8-71.924.7000120.8
1807T33.5Very low30.3Very low135 Ų135144.3 Ų144.383%0.82872%0.721SS**SBendtrans-151.6-20.9152-19.10000116.6R1809T1807-R1809 PolarHBondContact O-N 3.15Å
1808E30.4Very low30.4Very low172 Ų172144.4 Ų144.480%0.80472%0.718SS**G310 helixtrans-80.7-10.2-172.6-67.6-153.7121.800116.2Q1810 I1811E1808-Q1810 PolarHBondContact O-N 2.9Å; E1808-I1811 PolarHBondContact O-N 3.49Å
1809R30.7Very low30.4Very low186 Ų186144 Ų14470%0.70272%0.715SS**G310 helixtrans-68.77.2-174.2-134177-171.4-176.83.3115.4T1807 S1868 H1869T1807-R1809 PolarHBondContact O-N 3.15Å; R1809-S1868 PolarHBondContact NH2-O 2.84Å; R1809-H1869 PolarHBondContact NH2-CD2 3.2Å
1810Q32.1Very low30.1Very low172 Ų172147.6 Ų147.680%0.80472%0.721SS**G310 helixtrans-118.1-11.5173.9-68.3-16113.100116.1E1808E1808-Q1810 PolarHBondContact O-N 2.9Å
1811I35.5Very low30.2Very low114 Ų114143.3 Ų143.359%0.58571%0.71SS**THydrogen-bonded Turntrans-96-42.3-171.5-65.8-179.5000112.8E1808 I1813 K1814E1808-I1811 PolarHBondContact O-N 3.49Å; I1811-I1813 PolarHBondContact O-N 3.07Å; I1811-I1813 VanDerWaalsContact O-N 3.14Å; I1811-K1814 PolarHBondContact O-N 2.79Å; I1811-K1814 VanDerWaalsContact O-N 3.13Å
1812F28.1Very low30.1Very low154 Ų154145.7 Ų145.768%0.67572%0.715SS**G310 helixtrans-65.2-23.2-176.3-149.3-96.8000113.9K1814 Q1815 H1816F1812-K1814 PolarHBondContact O-N 2.9Å; F1812-K1814 VanDerWaalsContact O-N 3.1Å; F1812-Q1815 PolarHBondContact O-N 3.38Å; F1812-H1816 HydrophobicContact CE1-CB 3.89Å; F1812-H1816 HydrophobicContact CZ-CB 3.86Å
1813I31.9Very low30.1Very low141 Ų141144.1 Ų144.172%0.72372%0.715SS**G310 helixtrans-64.1-13.5176.9-71.4175.3000112.9I1811I1811-I1813 PolarHBondContact O-N 3.07Å; I1811-I1813 VanDerWaalsContact O-N 3.14Å
1814K33Very low30Very low190 Ų190146.5 Ų146.583%0.82673%0.727SS**G310 helixtrans-114.6-4.2-177.7-115.9177.5-177.6175.40116.5I1811 F1812I1811-K1814 PolarHBondContact O-N 2.79Å; I1811-K1814 VanDerWaalsContact O-N 3.13Å; F1812-K1814 PolarHBondContact O-N 2.9Å; F1812-K1814 VanDerWaalsContact O-N 3.1Å
1815Q32.8Very low30Very low145 Ų145147.3 Ų147.368%0.67873%0.733SS**THydrogen-bonded Turntrans-135.65.2-166-133.1170.8100118.2F1812F1812-Q1815 PolarHBondContact O-N 3.38Å
1816H31.8Very low30Very low102 Ų102147.6 Ų147.647%0.47273%0.734SS.*SBendtrans-124.911.2163.2-120.6-96.5000115.5F1812 Q1818F1812-H1816 HydrophobicContact CE1-CB 3.89Å; F1812-H1816 HydrophobicContact CZ-CB 3.86Å; H1816-Q1818 PolarHBondContact O-N 3.16Å
1817K30.5Very low30Very low191 Ų191145.9 Ų145.983%0.8373%0.73SS**THydrogen-bonded Turntrans-76.131.5166.6-150173.2-172.4176.60112.3
1818Q31.5Very low29.7Very low161 Ų161150.6 Ų150.675%0.75274%0.735SS**THydrogen-bonded Turntrans-149.512.5-168.1-154165.84.700113.5H1816H1816-Q1818 PolarHBondContact O-N 3.16Å
1819L24.5Very low29.5Very low130 Ų130149 Ų14968%0.68174%0.741SS**SBendtrans-123.934.1161.7-95.7166000110.6
1820F26.4Very low29.3Very low200 Ų200148.5 Ų148.588%0.87775%0.746SS**  trans-11172.2168.5-107.9-80.6000107.9
1821S26.7Very low29.2Very low83 Ų83149.5 Ų149.558%0.5875%0.748SS**  trans-168.7143.7175.250.70000109.5
1822D27.1Very low28.9Very low152 Ų152150.5 Ų150.581%0.81375%0.754SS**SBendtrans64.1112.4-177.7-48.6-24.7000113.8
1823S28.6Very low28.8Very low106 Ų106148.6 Ų148.674%0.74176%0.755SS**  cis-138.1132.33.153.60000109.2
1824L27.2Very low28.7Very low155 Ų155148.5 Ų148.581%0.81276%0.756SS**  56.2125.673.1-62.2167.6000111.9
1825S28.9Very low28.5Very low103 Ų103145.4 Ų145.472%0.7275%0.748SS**  cis-157.6169.622.1600000115.6
1826H29.4Very low28.4Very low177 Ų177142.5 Ų142.582%0.81974%0.741SS**  trans80.5151.3160-103.1-121.1000118.5
1827P28.6Very low28.4Very low95 Ų95146.4 Ų146.462%0.61776%0.759SS**  -144.2133.1-105.136.1-14.4000117.2
1828Y28.3Very low28.5Very low234 Ų234141.3 Ų141.392%0.91875%0.747SS**SBendtrans-149.8-0.4149.3-128.9-90.9000114.7E1830Y1828-E1830 VanDerWaalsContact C-N 3.34Å; Y1828-E1830 PolarHBondContact O-N 2.92Å
1829C26.3Very low28.3Very low137 Ų137140.3 Ų140.393%0.92675%0.746SS**  trans-83.264.4-179.8-650000113.2
1830E27Very low28.5Very low177 Ų177140.6 Ų140.683%0.82775%0.753SS**  trans-151.156-179.7-154.3172.5-124.400113.4Y1828Y1828-E1830 VanDerWaalsContact C-N 3.34Å; Y1828-E1830 PolarHBondContact O-N 2.92Å
1831K30Very low28.6Very low193 Ų193137.8 Ų137.884%0.83975%0.747SS**SBendtrans-158.910.2172.4-128160.1-170.2168.20122.7
1832L28.1Very low28.7Very low135 Ų135141.1 Ų141.171%0.70775%0.751SS**SBendtrans-146.822.5170.9-119169.7000115.4D1834 N1835L1832-D1834 PolarHBondContact O-N 2.74Å; L1832-N1835 HydrophobicContact CD2-CB 4.32Å
1833T27.5Very low28.8Very low114 Ų114136.3 Ų136.370%0.69973%0.729SS**THydrogen-bonded Turntrans-79.36.6176-22.80000113.3
1834D28.4Very low28.8Very low138 Ų138139.4 Ų139.474%0.73873%0.73SS**THydrogen-bonded Turntrans-107.5-9.9-171.3-68.1-65000114.8L1832L1832-D1834 PolarHBondContact O-N 2.74Å
1835N29.7Very low28.9Very low125 Ų125134.1 Ų134.167%0.66870%0.704SS**SBendtrans-136.4107.2178-84.3-47.4000109.1L1832L1832-N1835 HydrophobicContact CD2-CB 4.32Å
1836V29.8Very low28.9Very low85 Ų85135 Ų13552%0.51570%0.7SS.*SBendcis-136.990.420.2165.10000110.6S1838 I1839V1836-S1838 PolarHBondContact O-N 3.33Å; V1836-I1839 HydrophobicContact CG1-CB 3.85Å; V1836-I1839 HydrophobicContact CG1-CD1 3.96Å; V1836-I1839 HydrophobicContact CG1-CG1 3.56Å; V1836-I1839 VanDerWaalsContact CG1-N 3.34Å
1837Q33.2Very low29Very low184 Ų184132.8 Ų132.886%0.8669%0.688SS**THydrogen-bonded Turntrans-79.439.8164.4-157.5162.829.700110.8
1838S30.6Very low29.1Very low84 Ų84132.2 Ų132.259%0.58769%0.692SS**THydrogen-bonded Turntrans-140-24.1-158.7127.90000114.9V1836V1836-S1838 PolarHBondContact O-N 3.33Å
1839I28.9Very low29.2Very low139 Ų139128.1 Ų128.171%0.71369%0.686SS**SBendtrans-117.834.9179.1-46.5173.2000111.8V1836V1836-I1839 HydrophobicContact CG1-CB 3.85Å; V1836-I1839 HydrophobicContact CG1-CD1 3.96Å; V1836-I1839 HydrophobicContact CG1-CG1 3.56Å; V1836-I1839 VanDerWaalsContact CG1-N 3.34Å
1840V27.5Very low29.4Very low137 Ų137128 Ų12883%0.8368%0.676SS**SBendtrans-129.360.2155.4-171.90000108
1841N29Very low29.5Very low141 Ų141126 Ų12675%0.75467%0.666SS**  trans-163.759.7177.2-111.6-40000114.6
1842K29.7Very low29.5Very low152 Ų152124 Ų12466%0.66166%0.66SS**SBendtrans-170.6133.7151.2-107.9150.7-164.11510114.2P1963K1842-P1963 HydrophobicContact CD-CB 3.72Å; K1842-P1963 HydrophobicContact CD-CG 4.2Å
1843S29.3Very low29.6Very low51 Ų51122 Ų12236%0.35766%0.663SS.*  trans34.4106.9153.553.30000117.7Q1966S1843-Q1966 VanDerWaalsContact CB-N 3.32Å; S1843-Q1966 PolarHBondContact OG-N 3.3Å
1844F26.9Very low30Very low172 Ų172121.5 Ų121.575%0.75466%0.662SS**  cis62.6134.830.4-148.7-8.2000113
1845V29.4Very low29.9Very low44 Ų44121.6 Ų121.627%0.26766%0.662SS.*  99104.7127.6106.30000116.6G1967 I1968 V1969V1845-G1967 WeakPolarHBondContact CG1-O 3.44Å; V1845-G1967 CarbonylContact O-C 2.92Å; V1845-G1967 WeakPolarHBondContact O-CA 3.42Å; V1845-G1967 PolarHBondContact O-N 3.37Å; V1845-G1967 VanDerWaalsContact O-N 3.17Å; V1845-I1968 PolarHBondContact O-N 3.45Å; V1845-V1969 HydrophobicContact CG2-CB 3.85Å; V1845-V1969 HydrophobicContact CG2-CG1 3.41Å; V1845-V1969 VanDerWaalsContact CG2-CG1 3.41Å; V1845-V1969 HydrophobicContact CG2-CG2 4.41Å
1846D30.2Very low29.7Very low120 Ų120122.4 Ų122.464%0.64267%0.667SS**  trans-170.3-173.7160.7-132-16.1000116G1967 I1968D1846-G1967 VanDerWaalsContact OD2-CA 3.3Å; D1846-G1967 WeakPolarHBondContact OD2-CA 3.15Å; D1846-I1968 VanDerWaalsContact CG-N 3.33Å; D1846-I1968 PolarHBondContact OD1-N 3.38Å
1847K30.3Very low29.6Very low131 Ų131126.2 Ų126.257%0.5768%0.678SS**  trans-142.3143.5-161.8-86.3-176.7-171.9-160.50121.6I1968 V1969K1847-I1968 HydrophobicContact CD-CG2 4.44Å; K1847-I1968 WeakPolarHBondContact CG-O 3.46Å; K1847-V1969 WeakPolarHBondContact CE-O 3.28Å
1848A31.6Very low29.2Very low84 Ų84122.2 Ų122.269%0.69467%0.671SS**  69.4159.8124.700000126.8
1849D29.5Very low29Very low148 Ų148123.1 Ų123.179%0.79166%0.662SS**  trans87.3131.7155.8-61.1-20000123.5
1850N30.3Very low28.8Very low135 Ų135120.8 Ų120.872%0.72265%0.648SS**  trans63153.2162.1-6825.8000119.3
1851E29.1Very low28.6Very low133 Ų133117 Ų11762%0.62163%0.628SS**  cis-161.8166.9-16.5-113.7178123.100109.4
1852Q31.7Very low28.4Very low152 Ų152115.8 Ų115.871%0.7163%0.629SS**  trans35.5107.4164.6-70.3104.948.300121.4
1853A29.7Very low28.1Very low93 Ų93117.3 Ų117.377%0.76964%0.638SS**  23.6154.4115.400000122
1854P34.4Very low27.9Very low103 Ų103123 Ų12367%0.66966%0.659SS**  cis-140.1-154.9-13.333.4-8.2000113.8
1855D27.5Very low27.7Very low141 Ų141123.1 Ų123.175%0.75466%0.662SS**  trans81.1113.6155.3-55.4-18.7000121
1856D25.8Very low27.5Very low142 Ų142129 Ų12976%0.75969%0.69SS**  trans56.3134.3142.2-70.2-20.1000125.1
1857H27.5Very low27.4Very low164 Ų164129.6 Ų129.676%0.75970%0.702SS**  trans7199.6152.2-64.9-49.9000122.4
1858S25Very low27.1Very low100 Ų100128 Ų12870%0.69971%0.708SS**  85.2156.2128.979.80000121.2
1859Y25.6Very low26.8Very low104 Ų104131.3 Ų131.341%0.40871%0.709SS.*  trans68.8107.4-176.5-73.4-92.8000114.3
1860E23.9Very low26.5Very low90 Ų90132.9 Ų132.942%0.42171%0.711SS.*  81.3118.867.8-72.6-171-172.800112.5E1932E1860-E1932 WeakPolarHBondContact CA-OE2 3.17Å; E1860-E1932 HydrophobicContact CB-CB 4.1Å; E1860-E1932 HydrophobicContact CB-CG 3.8Å; E1860-E1932 HydrophobicContact CG-CG 3.76Å
1861S24.7Very low26.3Very low57 Ų57136.3 Ų136.340%0.39972%0.715SS.*  trans110.1146.5160.9760000122E1932 A1933S1861-E1932 WeakPolarHBondContact CA-OE2 3.29Å; S1861-E1932 WeakPolarHBondContact CB-O 3.22Å; S1861-E1932 PolarHBondContact N-OE2 3Å; S1861-A1933 VanDerWaalsContact CB-CB 3.5Å
1862C23.3Very low26Very low115 Ų115139.1 Ų139.178%0.77773%0.728SS**  trans87.8158.8163.6-68.10000120.5
1863E25.2Very low25.6Very low184 Ų184143.1 Ų143.186%0.8674%0.737SS**  trans65.2106.3-174.8-57.6-176.6-174.500114.5
1864Q24.5Very low25.4Very low170 Ų170145 Ų14579%0.79474%0.743SS**  cis69.8128.714-128-17924.700117.8
1865E23.4Very low24.9Very low175 Ų175143.1 Ų143.182%0.81874%0.742SS**  trans61.193.4171.1-56.6-155.2140.900120
1866I23.8Very low24.8Very low167 Ų167145.4 Ų145.486%0.85675%0.748SS**  178.4106.1115.9-87152000109.3
1867C28Very low24.7Very low133 Ų133146.2 Ų146.290%0.89975%0.752SS**  trans-166.635.7155-120.30000113.5H1869C1867-H1869 PolarHBondContact O-N 2.76Å
1868S24.6Very low24.6Very low99 Ų99143.1 Ų143.169%0.69274%0.738SS**  trans-85.797174.743.80000111.2R1809R1809-S1868 PolarHBondContact NH2-O 2.84Å
1869H24.6Very low24.7Very low152 Ų152142 Ų14270%0.70474%0.735SS**SBendtrans165.387.1147.7-102.9-89.4000111.9R1809 C1867R1809-H1869 PolarHBondContact NH2-CD2 3.2Å; C1867-H1869 PolarHBondContact O-N 2.76Å
1870H23.8Very low24.7Very low181 Ų181141.2 Ų141.284%0.83874%0.741SS**SBendtrans-175.510140.7-109.986.6000118.9
1871Y25.9Very low24.8Very low207 Ų207141.3 Ų141.381%0.81274%0.738SS**  trans-110.285.1172.4-94-84.5000112.8
1872Q24.2Very low24.8Very low192 Ų192140.4 Ų140.490%0.89774%0.738SS**  trans-143.869.1172.8-165.5-178.316.200111.7
1873R22.8Very low24.9Very low236 Ų236137.6 Ų137.689%0.89171%0.712SS**SBendtrans-159.8155.7157.6-118.9172.2175.1165.7-2.1109
1874C24.2Very low24.8Very low132 Ų132130.5 Ų130.589%0.89268%0.683SS**  trans61.363.2-165.7-55.90000113.3
1875G24.4Very low24.8Very low64 Ų64124.3 Ų124.366%0.6666%0.661SS**  trans-84.3-166.4143.300000110.1
1876E24.7Very low24.9Very low189 Ų189119.1 Ų119.188%0.88364%0.639SS**  trans75.1116.3-164.9-55.8169.5-153.100112.7
1877L25.6Very low25Very low160 Ų160117.3 Ų117.384%0.83863%0.627SS**  cis-156.2123.1-6.7-124.5163.6000108.2
1878E23.4Very low24.9Very low98 Ų98117.3 Ų117.346%0.45862%0.618SS.*  trans-114.1112.9178.2-95.6-163.8155.900112.2Q912 G913Q912-E1878 VanDerWaalsContact C-OE2 3.31Å; Q912-E1878 PolarHBondContact N-OE1 3.37Å; G913-E1878 WeakPolarHBondContact CA-O 3.47Å
1879A28Very low25.1Very low78 Ų78118.1 Ų118.165%0.64562%0.618SS**  trans-160.3137.8165.900000107.7
1880T26.3Very low25.5Very low87 Ų87115.8 Ų115.853%0.53462%0.616SS.*  cis-151.2-174.6-1.7-50000109.4
1881W25.2Very low25.5Very low91 Ų91111.6 Ų111.635%0.34561%0.607SS.*  trans-64175.8173.7-19.9-91.5000112.5T914 T1708 D1709 K1883T914-W1881 HydrophobicContact CG2-CH2 4.3Å; T914-W1881 HydrophobicContact CG2-CZ2 3.21Å; T1708-W1881 HydrophobicContact CG2-CE3 4.13Å; T1708-W1881 HydrophobicContact CG2-CZ3 4.13Å; D1709-W1881 HydrophobicContact CB-CH2 4.46Å; W1881-K1883 HydrophobicContact CB-CD 4.02Å; W1881-K1883 HydrophobicContact CB-CG 4.4Å; W1881-K1883 HydrophobicContact CG-CD 4.03Å
1882G25.1Very low25.4Very low39 Ų39106.6 Ų106.640%0.40260%0.602SS.*  cis85.4152.31900000114
1883K24.6Very low25.4Very low56 Ų56103.9 Ų103.924%0.24359%0.593CS.*  trans75.2120169-41.8154.8103.7-155.20113T1663 S1706 I1707 T1708 W1881T1663-K1883 VanDerWaalsContact CG2-N 3.33Å; T1663-K1883 WeakPolarHBondContact OG1-CA 3.44Å; T1663-K1883 PolarHBondContact OG1-N 3.36Å; S1706-K1883 CarbonylContact O-C 3.6Å; S1706-K1883 VanDerWaalsContact O-CA 3.3Å; S1706-K1883 WeakPolarHBondContact O-CA 3.4Å; S1706-K1883 WeakPolarHBondContact O-CB 3.28Å; S1706-K1883 WeakPolarHBondContact OG-CE 3.45Å; I1707-K1883 WeakPolarHBondContact O-CB 3.39Å; I1707-K1883 WeakPolarHBondContact O-CD 3.26Å; I1707-K1883 WeakPolarHBondContact O-CE 3.22Å; I1707-K1883 PolarHBondContact O-NZ 3.35Å; T1708-K1883 VanDerWaalsContact C-NZ 3.31Å; T1708-K1883 PolarHBondContact O-NZ 2.99Å; W1881-K1883 HydrophobicContact CB-CD 4.02Å; W1881-K1883 HydrophobicContact CB-CG 4.4Å; W1881-K1883 HydrophobicContact CG-CD 4.03Å
1884S23.4Very low25.5Very low35 Ų3598 Ų9825%0.24558%0.584CS.*  cis-152.6-164.524.979.70000115.5T1663 S1706 I1707T1663-S1884 VanDerWaalsContact O-O 3.1Å; S1706-S1884 WeakPolarHBondContact O-CA 3.48Å; S1706-S1884 WeakPolarHBondContact O-CB 3.33Å; I1707-S1884 VanDerWaalsContact CD1-OG 3.26Å; I1707-S1884 WeakPolarHBondContact CD1-OG 3.45Å; I1707-S1884 WeakPolarHBondContact CG1-OG 3.41Å
1885A25.5Very low25.5Very low40 Ų4097.7 Ų97.733%0.33158%0.583SS.*  trans-160.4-141.5170.600000116L1664 P1665 T1666L1664-A1885 HydrophobicContact CB-CB 4.07Å; L1664-A1885 HydrophobicContact CD2-CB 3.47Å; L1664-A1885 VanDerWaalsContact CD2-CB 3.47Å; L1664-A1885 HydrophobicContact CG-CB 4.38Å; P1665-A1885 VanDerWaalsContact C-N 3.28Å; T1666-A1885 CarbonylContact C-O 3.55Å; T1666-A1885 VanDerWaalsContact C-O 3.26Å; T1666-A1885 WeakPolarHBondContact CA-O 3.39Å; T1666-A1885 PolarHBondContact N-O 3.29Å
1886D25.4Very low25.6Very low65 Ų6597.6 Ų97.635%0.34858%0.582SS.*  trans54.2121.4159.9-111.6-38.1000121.9T1666 L1667T1666-D1886 CarbonylContact C-O 3.6Å; T1666-D1886 WeakPolarHBondContact CA-O 3.03Å; T1666-D1886 HydrophobicContact CG2-CB 3.65Å; L1667-D1886 PolarHBondContact N-O 2.8Å
1887Q25.7Very low25.6Very low130 Ų13097.3 Ų97.361%0.60758%0.578SS**  trans64.3159171.6-70146.670.100113.8L1667L1667-Q1887 HydrophobicContact CB-CB 4.16Å; L1667-Q1887 VanDerWaalsContact CD1-C 3.48Å; L1667-Q1887 HydrophobicContact CD1-CB 4.22Å
1888D25Very low25.5Very low132 Ų13297 Ų9771%0.70657%0.572SS**  cis-104.4169.417.9-115.8-26.6000116.3L1667L1667-D1888 HydrophobicContact CD1-CB 3.31Å; L1667-D1888 VanDerWaalsContact CD1-N 3.3Å; L1667-D1888 WeakPolarHBondContact CD1-OD2 3.24Å
1889V29.6Very low25.5Very low116 Ų11698.6 Ų98.670%0.70359%0.588SS**  trans-118.7170.1163.9-144.30000104.5
1890P32.2Very low25.5Very low103 Ų103100.5 Ų100.567%0.66959%0.588SS**  cis-145.4158.218.550.3-31000116.1
1891S25.3Very low25.4Very low93 Ų93102.6 Ų102.665%0.6559%0.59SS**  80.715899.175.10000119.5
1892C23.7Very low25.5Very low103 Ų103103.2 Ų103.270%0.69660%0.603SS**  trans77.6146.9156.5-64.70000117.8
1893D24.3Very low25.5Very low134 Ų134108.7 Ų108.772%0.71762%0.618SS**  cis-155.9157.5-10.4-114.9-25.1000116
1894T24.5Very low25.5Very low114 Ų114111.7 Ų111.770%0.69963%0.633SS**  trans3.2135.1159.8630000122.5
1895S25Very low25.7Very low125 Ų125117.2 Ų117.287%0.87465%0.652SS**  151.8153.495.760.60000115.7
1896G25.8Very low25.7Very low61 Ų61122 Ų12263%0.62967%0.668SS**  trans124.153.9136.700000124
1897F24Very low25.7Very low184 Ų184125.3 Ų125.381%0.80769%0.691SS**  trans52.1130.8153.5-56.8-91.2000119.4
1898H23.9Very low25.6Very low153 Ų153122.5 Ų122.571%0.70868%0.684SS**SBendcis-165.7123.325.6-145.2-7.7000112D1900H1898-D1900 PolarHBondContact N-OD2 3.2Å
1899V23.9Very low25.6Very low132 Ų132122 Ų12280%0.868%0.676SS**SBendtrans76.479.1174-164.30000113.5
1900D26.6Very low25.4Very low118 Ų118122.3 Ų122.363%0.63168%0.678SS**  trans-141.1174.2-162.9-65.8-71.5000111H1898H1898-D1900 PolarHBondContact N-OD2 3.2Å
1901K25.9Very low25Very low131 Ų131121.7 Ų121.757%0.5767%0.672SS**  cis169.4130.2-41.9-119.5170.6177.8145.50107.6E958E958-K1901 IonicContact OE1-NZ 3.52Å; E958-K1901 WeakPolarHBondContact OE2-CE 3.48Å; E958-K1901 IonicContact OE2-NZ 3.85Å; E958-K1901 PolarHBondContact OE2-NZ 3.17Å
1902T25.8Very low24.9Very low103 Ų103122.8 Ų122.863%0.63267%0.67SS**  trans32.2138.3137.958.10000122.3
1903H26Very low25Very low155 Ų155122 Ų12272%0.71866%0.659SS**  trans69.8159.9143.9-73.9-137.5000116.1
1904E24.4Very low25.1Very low119 Ų119116.8 Ų116.856%0.55664%0.637SS**  cis-153168.2-17.3-123.2179.4130.400112.6
1905K28.4Very low25.1Very low150 Ų150115.2 Ų115.265%0.65263%0.631SS**  trans-0.3160.9142.3-65.5173.5-160.4145.70121
1906Q25.5Very low25.1Very low141 Ų141113.3 Ų113.366%0.65961%0.611SS**  trans65.9148.7173.2-88.568.3-62.400113.3
1907V24.9Very low25Very low135 Ų135117.4 Ų117.482%0.81861%0.613SS**  cis-126.612918.71680000108.6
1908C23.3Very low25Very low70 Ų70115 Ų11547%0.47360%0.604SS.*  82.9110.552.8-86.70000117.3
1909K25Very low25Very low123 Ų123114.5 Ų114.554%0.53560%0.6SS.*  trans72.3140.6150.2-73-158.7172.4-166.50121D1507D1507-K1909 IonicContact OD2-NZ 3.9Å; D1507-K1909 PolarHBondContact OD2-NZ 3.48Å
1910T24.3Very low25Very low122 Ų122111.2 Ų111.275%0.74858%0.578SS**  trans67.9150.4159.551.60000116.5
1911V24.7Very low24.9Very low90 Ų90108.1 Ų108.155%0.54557%0.565SS.*  cis-143.5120.932173.50000113.2
1912L24.1Very low24.8Very low116 Ų116105.8 Ų105.861%0.60757%0.57SS**  31.9133.3127.8-62.6165.5000122.8
1913D24.5Very low24.8Very low86 Ų86106.8 Ų106.846%0.4657%0.567SS.*  trans93.1137.7133.7-57.32.7000125.8K1705 I1707K1705-D1913 PolarHBondContact NZ-O 2.84Å; I1707-D1913 HydrophobicContact CG2-CB 4.07Å; I1707-D1913 WeakPolarHBondContact CG2-OD1 3.39Å
1914G26Very low24.7Very low25 Ų25103.9 Ų103.926%0.25855%0.554SS.*  trans68.2153.8154.500000119.1K1705 S1706K1705-G1914 WeakPolarHBondContact CB-O 3.41Å; K1705-G1914 PolarHBondContact NZ-O 3.38Å; S1706-G1914 WeakPolarHBondContact CA-O 3.28Å; S1706-G1914 PolarHBondContact N-O 3.02Å
1915S24.5Very low24.7Very low81 Ų81101.6 Ų101.657%0.56654%0.54SS*.  cis-153.9127.4-18.555.40000110.3S1706S1706-S1915 VanDerWaalsContact OG-CA 3.31Å; S1706-S1915 WeakPolarHBondContact OG-CA 3.48Å
1916N25.1Very low24.5Very low84 Ų84102.1 Ų102.145%0.44955%0.545SS..  trans55.7179.6166-47.7-12.2000117S1706S1706-N1916 PolarHBondContact OG-N 2.95Å
1917E24.1Very low24.5Very low147 Ų147106.6 Ų106.669%0.68756%0.556SS**  cis-163.6158.811.5-144.4140.4-109.300111.8
1918E23.5Very low24.4Very low133 Ų133104.3 Ų104.362%0.62155%0.545SS*.  trans15.7128.9154.1-64.2177.9165.600122.5
1919K25.6Very low24.5Very low143 Ų143104.1 Ų104.162%0.62256%0.555SS**  171.6108.1115.5-88.7143.8-154.675.60112.3
1920I24.1Very low24.5Very low64 Ų64105.8 Ų105.833%0.32857%0.565SS.*  64.7110.487.3-66.9155.8000113.3H1924I1920-H1924 HydrophobicContact CG2-CB 3.65Å
1921C23.7Very low24.5Very low52 Ų52107.2 Ų107.235%0.35157%0.567SS.*SBendtrans-172.650.3137.8-108.80000115.1D277D277-C1921 VanDerWaalsContact CG-CB 3.49Å; D277-C1921 WeakPolarHBondContact OD1-CB 3.43Å; D277-C1921 WeakPolarHBondContact OD2-CB 3.46Å; D277-C1921 PolarHBondContact OD2-SG 3.17Å
1922A23.8Very low24.4Very low82 Ų82107 Ų10768%0.67856%0.56SS**SBendtrans-139.6-715600000113.5
1923H25.1Very low24.5Very low125 Ų125103.9 Ų103.958%0.57955%0.551SS**  trans-141.4120.7162.3-115.5-84.3000108R287 Q320R287-H1923 PolarHBondContact NH2-ND1 3.03Å; Q320-H1923 PolarHBondContact NE2-NE2 3.32Å; Q320-H1923 VanDerWaalsContact NE2-NE2 3.19Å
1924H24.3Very low24.6Very low94 Ų94105.3 Ų105.344%0.43556%0.563SS.*  trans-14147.2166-153.838.4000110.8K254 I1920K254-H1924 WeakPolarHBondContact CE-O 3.47Å; K254-H1924 PolarHBondContact NZ-O 3Å; I1920-H1924 HydrophobicContact CG2-CB 3.65Å
1925Y24Very low24.4Very low70 Ų70109.5 Ų109.528%0.27557%0.571SS.*SBendtrans-122.3145.1164.9-100.3-89.6000107.4K254 R287 S288K254-Y1925 HydrophobicContact CD-CE2 4.23Å; K254-Y1925 WeakPolarHBondContact CE-OH 3.48Å; K254-Y1925 HydrophobicContact CG-CE2 3.93Å; K254-Y1925 WeakPolarHBondContact CG-OH 3.33Å; K254-Y1925 PolarHBondContact O-OH 2.86Å; K254-Y1925 VanDerWaalsContact O-OH 3.06Å; R287-Y1925 HydrophobicContact CG-CD2 4.47Å; S288-Y1925 WeakPolarHBondContact CB-OH 3.47Å; S288-Y1925 WeakPolarHBondContact OG-CE2 3.25Å; S288-Y1925 PolarHBondContact OG-OH 2.81Å
1926Q25.3Very low24.5Very low161 Ų161108.1 Ų108.175%0.75257%0.569SS**SBendtrans6153.1-178.4-66.8170.9-65.700116.9
1927R24.8Very low24.5Very low236 Ų236113.4 Ų113.489%0.89159%0.588SS**SBendtrans-158.952.1137.7-120.3175.4-179.3161.12.6112.8
1928C22.8Very low24.5Very low87 Ų87108.3 Ų108.359%0.58858%0.575SS**  trans-142.4101.2161.3-740000105.4
1929G25.9Very low24.6Very low66 Ų66104.6 Ų104.668%0.6857%0.567SS**SBendtrans160.142.1-164.200000111.3
1930E24.9Very low24.7Very low157 Ų157104.5 Ų104.573%0.73457%0.573SS**SBendtrans176.6142.1175.7-101.6166.7-154.600103.6
1931L24.7Very low24.7Very low153 Ų153105.9 Ų105.980%0.80159%0.588SS**  trans62.384.9-168.9-58.6175.9000115.2
1932E22.8Very low24.8Very low86 Ų86109.9 Ų109.940%0.40261%0.606SS.*  cis52.594.1-8.3-49.3-159.5178.700117.9E1860 S1861E1860-E1932 WeakPolarHBondContact CA-OE2 3.17Å; E1860-E1932 HydrophobicContact CB-CB 4.1Å; E1860-E1932 HydrophobicContact CB-CG 3.8Å; E1860-E1932 HydrophobicContact CG-CG 3.76Å; S1861-E1932 WeakPolarHBondContact CA-OE2 3.29Å; S1861-E1932 WeakPolarHBondContact CB-O 3.22Å; S1861-E1932 PolarHBondContact N-OE2 3Å
1933A25.9Very low24.8Very low50 Ų50112.9 Ų112.941%0.41361%0.609SS.*  trans83.8143.4-178.800000118.9S1861S1861-A1933 VanDerWaalsContact CB-CB 3.5Å
1934T25.8Very low25Very low115 Ų115110.7 Ų110.771%0.70661%0.607SS**  trans62.8120.818068.90000116.8
1935W22.7Very low25Very low114 Ų114115.6 Ų115.643%0.43263%0.627SS.*  cis59.959.3-13.8-97.435000116.9F150 I155 Q158F150-W1935 AromaticContact CD1-CZ2 3.93Å; F150-W1935 HydrophobicContact CD1-CZ2 3.93Å; F150-W1935 AromaticContact CE1-CZ2 3.57Å; F150-W1935 HydrophobicContact CE1-CZ2 3.57Å; F150-W1935 HydrophobicContact CE2-CZ2 4.36Å; F150-W1935 AromaticContact CE2-NE1 3.56Å; F150-W1935 HydrophobicContact CG-CZ2 4.49Å; F150-W1935 AromaticContact CZ-CE2 3.95Å; F150-W1935 AromaticContact CZ-CZ2 3.8Å; F150-W1935 HydrophobicContact CZ-CZ2 3.8Å; F150-W1935 AromaticContact CZ-NE1 3.47Å; I155-W1935 HydrophobicContact CD1-CH2 3.23Å; I155-W1935 HydrophobicContact CD1-CZ2 4.09Å; I155-W1935 HydrophobicContact CD1-CZ3 3.7Å; Q158-W1935 HydrophobicContact CB-CH2 3.78Å; Q158-W1935 HydrophobicContact CB-CZ2 4.42Å; Q158-W1935 HydrophobicContact CG-CH2 3.46Å; Q158-W1935 VanDerWaalsContact CG-CH2 3.46Å; Q158-W1935 HydrophobicContact CG-CZ2 4.1Å; Q158-W1935 HydrophobicContact CG-CZ3 3.88Å; Q158-W1935 VanDerWaalsContact NE2-CZ2 3.27Å; Q158-W1935 VanDerWaalsContact NE2-CZ3 3.32Å
1936G24.8Very low25Very low51 Ų51114.8 Ų114.853%0.52664%0.64SS.*  trans156.7121.1161.200000115.7
1937K26.4Very low24.9Very low196 Ų196112.1 Ų112.185%0.85264%0.639SS**  trans77.2123.4-177-45.6160.5-169.2165.40113.1
1938G24.1Very low24.8Very low39 Ų39106.2 Ų106.240%0.40263%0.629SS.*  cis81.5121.2-10.100000116.1
1939A25.4Very low24.9Very low56 Ų56107.9 Ų107.946%0.46364%0.637SS.*  trans68.6141.3-172.600000114.5
1940D27.7Very low24.9Very low141 Ų141109.7 Ų109.775%0.75464%0.639SS**  cis-125.51533-56.8-81.7000109.1
1941S23.8Very low24.9Very low92 Ų92111.4 Ų111.464%0.64364%0.644SS**  cis83.581.118.684.50000118.2
1942D26.3Very low24.8Very low136 Ų136110.7 Ų110.773%0.72764%0.64SS**  trans-164.8141.9146.1-129.4-10.1000105.9
1943I24Very low24.9Very low145 Ų145114.6 Ų114.674%0.74466%0.656SS**  cis70.5155.416.4-31.3167.6000110.6
1944P28.5Very low24.7Very low80 Ų80118 Ų11852%0.51967%0.672SS.*  cis-118.3-173.8-12.621.23.6000114.5
1945F23.9Very low24.7Very low197 Ų197117.3 Ų117.386%0.86467%0.672SS**  trans63.5170.8167.9-58.3-69.6000115.3
1946G24.4Very low24.7Very low53 Ų53119 Ų11955%0.54668%0.684SS.*  cis144.3130.1-13.700000111.9
1947S23.1Very low24.7Very low104 Ų104124.1 Ų124.173%0.72769%0.692SS**  trans48.3125.5165.160.20000120.4
1948T23.7Very low24.7Very low113 Ų113120.3 Ų120.369%0.69368%0.681SS**  trans65.6119.6141.155.90000121
1949T24.3Very low24.8Very low122 Ų122125.9 Ų125.975%0.74870%0.697SS**  trans73153.8133.160.40000121.7
1950S25.3Very low24.8Very low103 Ų103130.8 Ų130.872%0.7271%0.71SS**  trans66.1119.5167.227.90000116.1
1951K25Very low24.7Very low193 Ų193131.1 Ų131.184%0.83971%0.709SS**  64.612358.1-71.4-167.4173.1-177.50113.8
1952L23.4Very low24.8Very low139 Ų139134 Ų13473%0.72872%0.716SS**  trans81141.5146.9-69.2163.1000120
1953K24.2Very low25.1Very low167 Ų167130.7 Ų130.773%0.72670%0.702SS**  trans77.3103.9145.6-74.5167.7-178.7-177.40117
1954T22.8Very low25.2Very low122 Ų122131.3 Ų131.375%0.74871%0.706SS**  84.3173.767.8640000113
1955S24.2Very low25.2Very low100 Ų100130.2 Ų130.270%0.69970%0.703SS**  trans71.3112.9-166.6-2.10000111
1956E23.5Very low25.3Very low149 Ų149128.5 Ų128.570%0.69670%0.698SS**  64.9146.759.2-62.6-178.816300112.7
1957K25.2Very low25.5Very low159 Ų159127.3 Ų127.369%0.69169%0.685SS**  trans72142.6159.1-72.5151.6-174.31530113.8
1958D25.6Very low25.7Very low117 Ų117127.5 Ų127.563%0.62668%0.677SS**  cis-150.1142.214.2-95.3-31.6000108.4
1959E26.3Very low25.9Very low155 Ų155125.7 Ų125.772%0.72467%0.666SS**  102150.1102.6-80.7174.8159.100115.6
1960E25Very low26.4Very low159 Ų159124.2 Ų124.274%0.74366%0.658SS**  trans15134.9147.2-41-176.7146.900119.6
1961M26.1Very low26.5Very low149 Ų149123.1 Ų123.173%0.73465%0.651SS**  -172.2136.956.9-101.5-155.1-106.600110.3
1962L25.5Very low26.7Very low151 Ų151121.6 Ų121.679%0.79165%0.647SS**  74.2152.594.9-69.6176.7000116.7
1963P32.2Very low26.8Very low68 Ų68122.2 Ų122.244%0.44265%0.646SS.*  trans-135.8-147.5-134.145.6-27.6000115.2K1842K1842-P1963 HydrophobicContact CD-CB 3.72Å; K1842-P1963 HydrophobicContact CD-CG 4.2Å
1964I27Very low27Very low158 Ų158118.9 Ų118.981%0.8164%0.643SS**  trans115.3140.6169.2-65157000112.1
1965A28.5Very low27.1Very low56 Ų56116.8 Ų116.846%0.46363%0.631SS.*  cis-171.8144.3-19.600000109.5
1966Q26.7Very low27.2Very low162 Ų162121.6 Ų121.676%0.75764%0.635SS**  82145.987.7-60.6178.5-53.700119.2S1843S1843-Q1966 VanDerWaalsContact CB-N 3.32Å; S1843-Q1966 PolarHBondContact OG-N 3.3Å
1967G28.5Very low27.3Very low28 Ų28120 Ų12029%0.28964%0.635SS.*  trans-169.7-145.5175.300000112.1V1845 D1846V1845-G1967 WeakPolarHBondContact CG1-O 3.44Å; V1845-G1967 CarbonylContact O-C 2.92Å; V1845-G1967 WeakPolarHBondContact O-CA 3.42Å; V1845-G1967 PolarHBondContact O-N 3.37Å; V1845-G1967 VanDerWaalsContact O-N 3.17Å; D1846-G1967 VanDerWaalsContact OD2-CA 3.3Å; D1846-G1967 WeakPolarHBondContact OD2-CA 3.15Å
1968I27.8Very low27.3Very low108 Ų108122.7 Ų122.755%0.55464%0.641SS**  trans-134.2101.6-178.7-96.8164.1000118.7V1845 D1846 K1847V1845-I1968 PolarHBondContact O-N 3.45Å; D1846-I1968 VanDerWaalsContact CG-N 3.33Å; D1846-I1968 PolarHBondContact OD1-N 3.38Å; K1847-I1968 HydrophobicContact CD-CG2 4.44Å; K1847-I1968 WeakPolarHBondContact CG-O 3.46Å
1969V27.9Very low27.2Very low74 Ų74123.8 Ų123.845%0.44864%0.642SS.*  trans38170.5136.3-102.50000122.6V1845 K1847V1845-V1969 HydrophobicContact CG2-CB 3.85Å; V1845-V1969 HydrophobicContact CG2-CG1 3.41Å; V1845-V1969 VanDerWaalsContact CG2-CG1 3.41Å; V1845-V1969 HydrophobicContact CG2-CG2 4.41Å; K1847-V1969 WeakPolarHBondContact CE-O 3.28Å
1970P34.9Very low27.2Very low91 Ų91123.5 Ų123.559%0.59165%0.645SS**  trans-121.9-109.5-147.139.6-16.9000113.2
1971S27.4Very low27.2Very low81 Ų81120.5 Ų120.557%0.56664%0.642SS**  trans80.5120.2170.874.70000115.4
1972E27.3Very low27.1Very low161 Ų161119.7 Ų119.775%0.75264%0.641SS**  81.1148.589.8-70.6161.3-134.300112.3
1973Q27.3Very low27.1Very low152 Ų152121.1 Ų121.171%0.7164%0.643SS**  cis-164.3168.66.8-122.6162.139.900108.6
1974S27.6Very low26.8Very low96 Ų96123 Ų12367%0.67165%0.654SS**  trans61.5143.616755.50000117.7
1975T25Very low26.7Very low79 Ų79123.4 Ų123.449%0.48565%0.652SS.*  cis80.8156.722.586.10000114.7L1803L1803-T1975 HydrophobicContact CD2-CG2 3.33Å
1976Y26.8Very low26.7Very low200 Ų200126.1 Ų126.178%0.78466%0.663SS**  trans69.2119.1-156.1-61.1-95.6000112.3
1977T24.2Very low26.7Very low115 Ų115124.4 Ų124.471%0.70666%0.664SS**  cis70.415444.3820000114.6
1978R24.9Very low26.8Very low216 Ų216127.9 Ų127.982%0.81568%0.683SS**  trans73.3145.6-177.7-65.6-164.5166.8147.94.9115
1979Q24.2Very low27Very low140 Ų140127.7 Ų127.765%0.65469%0.692SS**  cis157.8149.4-13.6-109.8178.2-43.700102.6
1980L26Very low27.2Very low149 Ų149133.2 Ų133.278%0.7871%0.71SS**  trans66157.8175.6-47.2131000112.3
1981S25.1Very low26.9Very low96 Ų96133.4 Ų133.467%0.67171%0.713SS**  cis-131.9146.3-6.1-16.80000105.8
1982D24.8Very low26.9Very low133 Ų133139 Ų13971%0.71173%0.727SS**  50.1147.583-61.1-57.3000114.8
1983E26Very low27.5Very low181 Ų181136.9 Ų136.985%0.84673%0.728SS**  trans67.2130.6168-67.4175.6-164.500117.4
1984T24.2Very low27.5Very low108 Ų108133.7 Ų133.766%0.66373%0.728SS**  cis-170-173.1-26.10.70000106.5
1985E25.1Very low27.4Very low165 Ų165136 Ų13677%0.77173%0.732SS**  trans53.6117.7142.3-80.9173.3-144.700119.5
1986T28.9Very low27.3Very low113 Ų113137.4 Ų137.469%0.69374%0.741SS**  cis-174.1154.646.9130000112.3
1987T27.9Very low27.3Very low127 Ų127136.5 Ų136.578%0.77974%0.741SS**  trans42.1129.7148.260.20000120.5
1988S30.6Very low27.4Very low100 Ų100136.1 Ų136.170%0.69974%0.743SS**  cis179.2151.625.442.70000113.2
1989S30.3Very low27.5Very low105 Ų105131.5 Ų131.573%0.73473%0.734SS**  trans62.9141.9156.757.30000119.5
1990K33.6Very low27.6Very low190 Ų190133 Ų13383%0.82674%0.74SS**  cis-157.9140.54-123.7166.4-173173.30112
1991S28.1Very low27.7Very low95 Ų95132.7 Ų132.766%0.66474%0.74SS**  trans28.8122.7149.4530000120.9
1992K28Very low28Very low198 Ų198131.7 Ų131.786%0.86174%0.737SS**  63.3150.566.1-76.7-167.8173-176.20115.1
1993P38Very low28.2Very low116 Ų116132.7 Ų132.775%0.75374%0.74SS**  cis-143.6-141.3-37.642.8-23.1000110.5
1994A27.6Very low28.4Very low86 Ų86130.9 Ų130.971%0.71173%0.731SS**  trans80.1153.2162.800000116.4
1995N26.1Very low28.9Very low143 Ų143133.3 Ų133.377%0.76574%0.735SS**  cis159.8159.8-28.2-113.44.5000105.8
1996T23.7Very low29.2Very low109 Ų109129.8 Ų129.867%0.66973%0.728SS**  trans62.8118.2150.3500000121
1997F25.1Very low29.4Very low182 Ų182129.8 Ų129.880%0.79873%0.733SS**  trans57116.7140.1-70.2-101.9000118.5
1998S26.9Very low29.7Very low106 Ų106129 Ų12974%0.74173%0.733SS**  82.9177.266.5-1690000112.2
1999I26.9Very low29.8Very low120 Ų120128.6 Ų128.662%0.61573%0.73SS**  trans84.5112.4165.1-58.8179.8000116.6
2000E27.7Very low29.9Very low170 Ų170128.6 Ų128.679%0.79473%0.73SS**  trans70144.9145.2-72.3162.2-15500120.7
2001D28.3Very low29.8Very low144 Ų144124 Ų12477%0.7772%0.722SS**  cis-154.1174.6-16.2-142.3-12.2000114.4
2002A30Very low30Very low75 Ų75126.3 Ų126.362%0.6272%0.722SS**  trans-53.6168.7176.100000117.1
2003M28.4Very low30.3Very low154 Ų154121.5 Ų121.576%0.75970%0.703SS**  -176.5132.5100.5-97.2-164.8175.800116
2004Q31.1Very low30.1Very low143 Ų143122.7 Ų122.767%0.66870%0.696SS**  trans69.5145.8144.4-60.4171.88.200118.3
2005Q33.8Very low30.3Very low158 Ų158125.3 Ų125.374%0.73870%0.698SS**  cis-167.4160.6-5.2-106.4164.121.800107
2006S33.1Very low30.6Very low91 Ų91123.7 Ų123.764%0.63669%0.693SS**  cis-176171.5-21.550.30000110.3
2007S32.6Very low31.1Very low114 Ų114127.4 Ų127.480%0.79770%0.7SS**  trans63137.3160.952.40000120.1
2008S34.1Very low31.4Very low110 Ų110124.1 Ų124.177%0.76970%0.695SS**  cis-168.1-171.4-14.366.30000107.4
2009S33.4Very low31.7Very low91 Ų91126.3 Ų126.364%0.63670%0.697SS**  cis-170.9145.7-4.326.10000106.6
2010S31.8Very low31.8Very low105 Ų105127.4 Ų127.473%0.73470%0.702SS**  cis83.5127.22876.50000115.6
2011S32Very low31.8Very low95 Ų95123.7 Ų123.766%0.66470%0.695SS**  cis-167.1-155.4-7.5-66.40000107.9
2012Q32.4Very low31.9Very low142 Ų142125.7 Ų125.766%0.66470%0.697SS**  cis-179.1166.53.9-135.9158-98.800112.4
2013E33.2Very low31.8Very low98 Ų98130 Ų13046%0.45870%0.703SS.*  trans82.9156147.2-66.1179.4-168.900122.8
2014K34.5Very low31.7Very low141 Ų141128.7 Ų128.761%0.61370%0.704SS**  cis-170.7138.8-15.3-111.3170.8-164.1151.80117.5
2015L31.9Very low31.6Very low141 Ų141130.9 Ų130.974%0.73871%0.712SS**  trans39.1114.8130.3-71.9174000126.8
2016T30.9Very low31.3Very low109 Ų109127.4 Ų127.467%0.66971%0.705SS**  52138.8128.363.60000125.7
2017K35.2Very low31.4Very low187 Ų187129.4 Ų129.481%0.81371%0.708SS**  171.9129.6107.6-96.5-178.6179.2174.40119.4
2018T31.6Very low31.2Very low113 Ų113133.1 Ų133.169%0.69371%0.71SS**  trans59.9133.4134.2-35.40000124.1
2019I32Very low31.2Very low152 Ų152131.2 Ų131.278%0.77971%0.708SS**  167.1109.1121-82.4171000115
2020I30.5Very low31Very low143 Ų143135.3 Ų135.373%0.73372%0.717SS**  trans43.5108.8132.4-52.6174.5000122.9
2021S26.9Very low31Very low91 Ų91138.3 Ų138.364%0.63672%0.723SS**  trans36.7132.9140.180.30000124.1
2022K30.4Very low31.2Very low187 Ų187144.8 Ų144.881%0.81374%0.739SS**  177.3146.6102.3-99.9170.2-176.8175.10115.4
2023H28Very low31.1Very low164 Ų164144.9 Ų144.976%0.75974%0.743SS**  trans19.2138.2151-74.8-67.2000123
2024T26.5Very low31Very low127 Ų127147.4 Ų147.478%0.77976%0.758SS**  trans69.7151.3155.859.40000116.2
2025K29.2Very low30.8Very low189 Ų189147.7 Ų147.782%0.82277%0.766SS**  cis-148.5-164.415.6-142.4162.4-176.8-177.50112.1
2026S27.6Very low30.7Very low85 Ų85148.1 Ų148.159%0.59477%0.767SS**  trans-56.5171.217259.50000113.5
2027D34.3Very low30.7Very low133 Ų133150.6 Ų150.671%0.71177%0.774SS**  cis-139.5156.123.5-77.7-81.4000110.2
2028K29.6Very low30.4Very low193 Ų193148.1 Ų148.184%0.83977%0.771SS**  71134.255.2-92.5-159.5172.9-1450115.3
2029G33Very low30.3Very low69 Ų69150.6 Ų150.671%0.71178%0.777SS**  trans100.4106-171.200000111.4
2030E29.4Very low30.2Very low178 Ų178150.5 Ų150.583%0.83278%0.776SS**  cis71.6144.417.3-138.5168.4-123.500113.5
2031I32.6Very low30.2Very low168 Ų168151.2 Ų151.286%0.86278%0.78SS**  trans75.8120.2-157.8-49.9162.3000111.2
2032K35Very low30.5Very low230 Ų230156.6 Ų156.6100%179%0.793SS**  cis-137.709.8-156.8179.2-173.8-175.90111

Retrieved 2,032 of 2,032 residues in 1098 ms (Link to these results)

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