A0A077ZFT4_TRITR Loading...

DNA gyrase subunit B

A type II topoisomerase that negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner.

AlphaFold DB , UniProt , Accession A0A077ZFT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,478 aa.

>A0A077ZFT4_TRITR|A0A077ZFT4
MTEEEKSLLERAQEYDASQIQVLEGLEAVRKRPGMYIGSTSTEGLHHLVWEIVDNSIDEALAGFATHIHVVVEEDNSITVSDDGRGIPVGIQAKTGRPAVETVFTILHAGGKFGGGGYKVSGGLHGVGASVVNALSTSLDVRVFKEGKIYFQDYRRGAVVDDLKVIGETEKHGTTVHFIPDPEIFTESTVFNFEKLATRVRELAFLNRGLKLSIEDKREEKPVLREYHYEGGIKSYVEHLNHNKAVIFDEPVFVEGEQQDITVEVAMQYTDGYHTNILSFANNIHTYEGGTHEFGFKTALTRVINDYARKQKIMKDNDENLSGEDVREGLTAVISIKHPEPQFEGQTKTKLGNSEVRTVTDRLFSENFMKFLMENPSVGRRIVEKGILAAKARLAAKRAREVTRRKGALEISNLPGKLADCSSNDPEKCELFIVEGDSAGGSAKQGRSREFQAILPIRGKILNVEKASMDKILANEEIRSLFTAMGTGFGADFDVSKARYHKLVIMTDADVDGAHIRTLLLTLFYRYMRPIVEAGYVYIAQPPLYGIKQGKNITYIQPGKNAEEELAQKISELPASPKPNVQRYKGLGEMDDHQLWETTMDPENRLMLRVSVDDAIEADQVFEMLMGDRRNDRSTRTRRIILEDRRENIHDVNLTSEMRESFIDYAMSVIVARALPDVRDGLKPVHRRILYGMNELGVTPDKPHKKSARIVGDVMGKYHPHGDSAIYESMVRMAQSFSYRNMLVDGHGNFGSVDGDGAAAMRYTEARLSKIAMEMLRDINKDTVDFQGNYDDSEQEPVVLPARFPNLLVNGATGIAVGMATNIPPHNLREVTAGIELLMENPEATTQELMECIPGPDFPTGGLVMGKSGIRRAYETGKGSITVRAKIEIEEQKNGKERIIVTELPYMVNKAKLIERISELHRDKRVEGITDLRDESSREGMRVVIEVRRDVSASVILNNLYKMTSLQTSFSFNMLAIEKGVPRILNLKQILENYIEHQKIVITRRTIFDKKKAEARAHILEGLRIALDHIDEIIATIRNSASDDVAKTTLMERFELSDRQAQAILDMRLRRLTGLEREKIENEYQELLKTISDLEDILARPERVEEIIRTELAEIAAKFGDERRTELLVGEVLSLEDEDLIEEEDVVITLTNNGYIKRVASTEFRSQRRGGRGVQGMGIHDDDFVKTLISCSTHDTLLFFTNSGRVYRAKGYEVPEYGRTAKGIPIINLLGIDSNETIQAVISVNGQAEDGHFLFFVTKKGTVKRTTVTAFSNIRANGLIAIGLREGDELVNVMSTEGDETIIIGTHDGYSVTFKEAVVRDMGRTASGVRGIRLRDEDYVIGSAVLKENQEVLVITEKGYGKRTKASEYPVKGRGGKGIKTANVKEKNGPLAGLTTVTGDEDILLITDKGVIIRFNAGSVSQTGRATLGVRLMKMEGNTKVVTMAIVDKEDEEVEETETVEAAETTEITEEAQNDTEE
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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
1M53.6Low69.3Low168 Ų168124 Ų12483%0.82860%0.598SS**  0103.10-102.4-172.9-85.200108.8E5 K6 L9M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.98Å; M1-K6 HydrophobicContact SD-CG 4.46Å; M1-L9 HydrophobicContact SD-CD1 3.63Å
2T75.6Confident69.5Low78 Ų78119.2 Ų119.248%0.47959%0.593SS.*  trans-66.9163169.958.80000110.1E4 E5 K6T2-E4 PolarHBondContact O-N 2.99Å; T2-E5 PolarHBondContact N-OE2 2.88Å; T2-E5 PolarHBondContact O-N 2.7Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 VanDerWaalsContact OG1-CG 3.3Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 2.76Å; T2-E5 VanDerWaalsContact OG1-N 3.16Å; T2-K6 PolarHBondContact O-N 2.9Å; T2-K6 VanDerWaalsContact O-N 3.08Å
3E66.9Low69.5Low180 Ų180121.6 Ų121.684%0.84160%0.602SS**Hα-helixtrans-59.5-33.9173.1-83-166.2149.700112.1K6 S7E3-K6 PolarHBondContact O-N 2.81Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 2.7Å
4E67.7Low69.5Low153 Ų153121.7 Ų121.772%0.71560%0.6SS**Hα-helixtrans-62.3-42.6171.5-84.2-179.114400112.6T2 K6 S7 L8T2-E4 PolarHBondContact O-N 2.99Å; E4-K6 VanDerWaalsContact C-N 3.32Å; E4-K6 PolarHBondContact O-N 2.79Å; E4-S7 PolarHBondContact O-N 2.85Å; E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 PolarHBondContact O-N 3.43Å
5E68.4Low69.9Low96 Ų96124.1 Ų124.145%0.44960%0.601SS.*Hα-helixtrans-66.6-33.8177.4-74.5172.2149.800111.9M1 T2 L9M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.98Å; T2-E5 PolarHBondContact N-OE2 2.88Å; T2-E5 PolarHBondContact O-N 2.7Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 VanDerWaalsContact OG1-CG 3.3Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 2.76Å; T2-E5 VanDerWaalsContact OG1-N 3.16Å; E5-L9 WeakPolarHBondContact O-CB 3.18Å; E5-L9 PolarHBondContact O-N 3.33Å; E5-L9 VanDerWaalsContact O-N 3.08Å
6K68Low70.4Confident126 Ų126121.7 Ų121.755%0.54859%0.592SS.*Hα-helixtrans-69-44.6172.5-91-174.5173.1-174.60112.5M1 T2 E3 E4 L8 L9 E10M1-K6 HydrophobicContact SD-CG 4.46Å; T2-K6 PolarHBondContact O-N 2.9Å; T2-K6 VanDerWaalsContact O-N 3.08Å; E3-K6 PolarHBondContact O-N 2.81Å; E4-K6 VanDerWaalsContact C-N 3.32Å; E4-K6 PolarHBondContact O-N 2.79Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.04Å; K6-L9 PolarHBondContact O-N 3.05Å; K6-E10 WeakPolarHBondContact O-CG 3.4Å; K6-E10 PolarHBondContact O-N 2.91Å
7S73.7Confident70.7Confident55 Ų55119.6 Ų119.639%0.38560%0.599SS.*Hα-helixtrans-60.9-41.3175.6169.40000112.1E3 E4 E10 R11E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 2.7Å; E4-S7 PolarHBondContact O-N 2.85Å; S7-E10 PolarHBondContact O-N 2.85Å; S7-R11 WeakPolarHBondContact O-CB 3.33Å; S7-R11 VanDerWaalsContact O-CG 3.28Å; S7-R11 WeakPolarHBondContact O-CG 3.45Å; S7-R11 PolarHBondContact O-N 3.39Å
8L73.1Confident70.7Confident119 Ų119117.9 Ų117.962%0.62360%0.601SS**Hα-helixtrans-65.9-38174.3-85.9158.8000112.6E4 K6 A12E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 PolarHBondContact O-N 3.43Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.04Å; L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 2.84Å
9L73.2Confident70.5Confident88 Ų88117.4 Ų117.446%0.46160%0.596SS.*Hα-helixtrans-68.8-39.1174.8-98.9151.7000112.6M1 E5 K6 A12 Q13M1-L9 HydrophobicContact SD-CD1 3.63Å; E5-L9 WeakPolarHBondContact O-CB 3.18Å; E5-L9 PolarHBondContact O-N 3.33Å; E5-L9 VanDerWaalsContact O-N 3.08Å; K6-L9 PolarHBondContact O-N 3.05Å; L9-A12 PolarHBondContact O-N 2.82Å; L9-Q13 WeakPolarHBondContact O-CG 3.4Å; L9-Q13 PolarHBondContact O-N 2.72Å
10E72.5Confident70.4Confident126 Ų126117.2 Ų117.259%0.58960%0.595SS**Hα-helixtrans-65.7-47174.2-76.5174.217600110.9K6 S7 A12 Q13 E14K6-E10 WeakPolarHBondContact O-CG 3.4Å; K6-E10 PolarHBondContact O-N 2.91Å; S7-E10 PolarHBondContact O-N 2.85Å; E10-A12 VanDerWaalsContact C-N 3.29Å; E10-A12 PolarHBondContact O-N 2.88Å; E10-Q13 PolarHBondContact O-N 2.55Å; E10-Q13 VanDerWaalsContact O-N 3.09Å; E10-E14 PolarHBondContact O-N 3.41Å
11R69.8Low70.2Confident175 Ų175118 Ų11866%0.6660%0.597SS**Hα-helixtrans-65-29.9175.2-68.4177.281.91776.2113.2S7 E14 Y15S7-R11 WeakPolarHBondContact O-CB 3.33Å; S7-R11 VanDerWaalsContact O-CG 3.28Å; S7-R11 WeakPolarHBondContact O-CG 3.45Å; S7-R11 PolarHBondContact O-N 3.39Å; R11-E14 PolarHBondContact O-N 3.09Å; R11-Y15 PolarHBondContact O-N 3.03Å
12A71.6Confident71Confident66 Ų66115.5 Ų115.555%0.54559%0.59SS.*Hα-helixtrans-73-29173.400000112.6L8 L9 E10L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 2.84Å; L9-A12 PolarHBondContact O-N 2.82Å; E10-A12 VanDerWaalsContact C-N 3.29Å; E10-A12 PolarHBondContact O-N 2.88Å
13Q69.4Low70.8Confident151 Ų151115 Ų11571%0.70659%0.585SS**Hα-helixtrans-77.6-25.5172.5-73.81805.400112.6L9 E10 Y15L9-Q13 WeakPolarHBondContact O-CG 3.4Å; L9-Q13 PolarHBondContact O-N 2.72Å; E10-Q13 PolarHBondContact O-N 2.55Å; E10-Q13 VanDerWaalsContact O-N 3.09Å; Q13-Y15 VanDerWaalsContact C-N 3.31Å
14E68.9Low70.8Confident123 Ų123113.6 Ų113.658%0.57558%0.578SS**Hα-helixtrans-71.7-20.6172.6-72.5177.5168.900113.5E10 R11 D16 Q19E10-E14 PolarHBondContact O-N 3.41Å; R11-E14 PolarHBondContact O-N 3.09Å; E14-D16 PolarHBondContact O-N 2.82Å; E14-D16 VanDerWaalsContact O-N 3.13Å; E14-Q19 PolarHBondContact O-NE2 2.85Å
15Y75.5Confident71.1Confident158 Ų158109 Ų10962%0.6257%0.571SS**  trans-83.280.5175.6-168.4-97.9000111R11 Q13 Q19R11-Y15 PolarHBondContact O-N 3.03Å; Q13-Y15 VanDerWaalsContact C-N 3.31Å; Y15-Q19 HydrophobicContact CD2-CB 4.37Å; Y15-Q19 HydrophobicContact CE2-CB 4.42Å
16D78.1Confident71.8Confident85 Ų85105.4 Ų105.446%0.45556%0.555SS.*SBendtrans-108.1-177.1174.171.415000112.2E14 S18 Q19E14-D16 PolarHBondContact O-N 2.82Å; E14-D16 VanDerWaalsContact O-N 3.13Å; D16-S18 PolarHBondContact O-N 2.87Å; D16-S18 VanDerWaalsContact O-N 3.11Å; D16-S18 WeakPolarHBondContact OD1-CA 3.38Å; D16-S18 WeakPolarHBondContact OD1-CB 3.39Å; D16-S18 PolarHBondContact OD1-N 2.98Å; D16-S18 PolarHBondContact OD1-OG 3.3Å; D16-Q19 PolarHBondContact O-N 3.09Å; D16-Q19 VanDerWaalsContact O-N 3.14Å
17A75Confident72.4Confident86 Ų86104.8 Ų104.871%0.71155%0.554SS**G310 helixtrans-60.3-19.8179.400000113.6Q19 I20A17-Q19 PolarHBondContact O-N 3.42Å; A17-I20 PolarHBondContact O-N 2.77Å
18S70.9Confident72.9Confident90 Ų90103.3 Ų103.363%0.62955%0.545SS*.G310 helixtrans-71.8-17.1178.479.50000113.2D16 I20D16-S18 PolarHBondContact O-N 2.87Å; D16-S18 VanDerWaalsContact O-N 3.11Å; D16-S18 WeakPolarHBondContact OD1-CA 3.38Å; D16-S18 WeakPolarHBondContact OD1-CB 3.39Å; D16-S18 PolarHBondContact OD1-N 2.98Å; D16-S18 PolarHBondContact OD1-OG 3.3Å; S18-I20 VanDerWaalsContact C-N 3.33Å
19Q67.1Low73.5Confident107 Ų10797.6 Ų97.650%0.552%0.516SS..G310 helixtrans-79.9-11.6172.8-60.5-152.8-4.200113.6E14 Y15 D16 A17E14-Q19 PolarHBondContact O-NE2 2.85Å; Y15-Q19 HydrophobicContact CD2-CB 4.37Å; Y15-Q19 HydrophobicContact CE2-CB 4.42Å; D16-Q19 PolarHBondContact O-N 3.09Å; D16-Q19 VanDerWaalsContact O-N 3.14Å; A17-Q19 PolarHBondContact O-N 3.42Å
20I69.6Low74.3Confident113 Ų11395.9 Ų95.958%0.57950%0.503SS*.  trans-93.3104.3173.4-58.3-178.3000109A17 S18A17-I20 PolarHBondContact O-N 2.77Å; S18-I20 VanDerWaalsContact C-N 3.33Å
21Q66.5Low74.9Confident135 Ų13595 Ų9563%0.63150%0.497SS*.PPolyproline II helixtrans-91.7123.8176.6-68.7179.4-9.800110.9
22V70.2Confident75.6Confident115 Ų11594.7 Ų94.770%0.69750%0.496SS*.PPolyproline II helixtrans-92.5121.5167.9-178.60000107.3E24V22-E24 HydrophobicContact CG1-CG 4.3Å
23L70.1Confident76.3Confident69 Ų6992.3 Ų92.336%0.36148%0.475SS..PPolyproline II helixtrans-98.7123.9175.7-58.7171.2000107.9E27 A28 K31L23-E27 HydrophobicContact CB-CB 4.32Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; L23-A28 HydrophobicContact CB-CB 4.23Å; L23-A28 HydrophobicContact CD1-CB 4.37Å; L23-K31 HydrophobicContact CD1-CB 4.39Å; L23-K31 HydrophobicContact CD1-CD 3.72Å; L23-K31 HydrophobicContact CD2-CD 3.9Å; L23-K31 HydrophobicContact CG-CD 4.47Å
24E67.8Low76.7Confident149 Ų14986.7 Ų86.770%0.69646%0.457SS*.  trans-104.6143.2-179-65.5-172.6173.900111.3V22 L26 E27V22-E24 HydrophobicContact CG1-CG 4.3Å; E24-L26 PolarHBondContact O-N 2.92Å; E24-E27 WeakPolarHBondContact O-CB 3.09Å; E24-E27 PolarHBondContact O-N 2.73Å
25G73.2Confident77.2Confident56 Ų5686.2 Ų86.258%0.57746%0.457SS*.THydrogen-bonded Turntrans59.3-123.8175.100000114.1
26L84Confident77.5Confident21 Ų2181.9 Ų81.911%0.1144%0.44CS..THydrogen-bonded Turntrans-84.6-5.3-176-63.6177.4000114.1E24 A28 V29 R30 L107 A134E24-L26 PolarHBondContact O-N 2.92Å; L26-A28 PolarHBondContact O-N 3.28Å; L26-V29 HydrophobicContact CD2-CG2 4.32Å; L26-V29 WeakPolarHBondContact O-CB 2.97Å; L26-V29 PolarHBondContact O-N 3.07Å; L26-V29 VanDerWaalsContact O-N 3.08Å; L26-R30 PolarHBondContact O-N 3.15Å; L26-L107 HydrophobicContact CD2-CD2 3.78Å; L26-L107 HydrophobicContact CD2-CG 3.89Å; L26-A134 HydrophobicContact CB-CB 4Å; L26-A134 HydrophobicContact CD1-CB 4.16Å; L26-A134 HydrophobicContact CD2-CB 4.26Å; L26-A134 HydrophobicContact CG-CB 4.37Å
27E79.9Confident77.6Confident113 Ų11378 Ų7853%0.52842%0.419SS..Hα-helixtrans-61.1-34.4178.5-70.3-172.5158.100112.4L23 E24 V29 R30 K31L23-E27 HydrophobicContact CB-CB 4.32Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; E24-E27 WeakPolarHBondContact O-CB 3.09Å; E24-E27 PolarHBondContact O-N 2.73Å; E27-V29 VanDerWaalsContact C-N 3.28Å; E27-V29 PolarHBondContact O-N 3.3Å; E27-R30 PolarHBondContact O-N 3.11Å; E27-K31 WeakPolarHBondContact O-CB 3.49Å; E27-K31 PolarHBondContact O-N 3.33Å
28A83.6Confident77.7Confident24 Ų2476.4 Ų76.420%0.19841%0.411CS..Hα-helixtrans-61.8-37.3176.100000112.2L23 L26 R32L23-A28 HydrophobicContact CB-CB 4.23Å; L23-A28 HydrophobicContact CD1-CB 4.37Å; L26-A28 PolarHBondContact O-N 3.28Å; A28-R32 PolarHBondContact O-N 2.83Å
29V87.2Confident78.2Confident0 Ų073.5 Ų73.50%039%0.39CS..Hα-helixtrans-66.9-50.3178.5-176.50000110.5L26 E27 K31 R32 P33 Y36 L107 V131 A134 L135L26-V29 HydrophobicContact CD2-CG2 4.32Å; L26-V29 WeakPolarHBondContact O-CB 2.97Å; L26-V29 PolarHBondContact O-N 3.07Å; L26-V29 VanDerWaalsContact O-N 3.08Å; E27-V29 VanDerWaalsContact C-N 3.28Å; E27-V29 PolarHBondContact O-N 3.3Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 3.22Å; V29-R32 CarbonylContact O-C 3.4Å; V29-R32 VanDerWaalsContact O-C 3.29Å; V29-R32 PolarHBondContact O-N 3.3Å; V29-P33 VanDerWaalsContact O-CA 3.27Å; V29-P33 WeakPolarHBondContact O-CA 3.31Å; V29-Y36 HydrophobicContact CB-CD2 4.25Å; V29-Y36 HydrophobicContact CB-CE2 4.18Å; V29-Y36 HydrophobicContact CG1-CD2 3.97Å; V29-Y36 HydrophobicContact CG1-CE2 4.42Å; V29-Y36 HydrophobicContact CG1-CG 4.07Å; V29-Y36 HydrophobicContact CG2-CD1 4.16Å; V29-Y36 HydrophobicContact CG2-CD2 4.3Å; V29-Y36 HydrophobicContact CG2-CE1 3.86Å; V29-Y36 HydrophobicContact CG2-CE2 4.03Å; V29-Y36 HydrophobicContact CG2-CG 4.37Å; V29-L107 HydrophobicContact CG2-CD1 4.12Å; V29-L107 HydrophobicContact CG2-CD2 3.84Å; V29-V131 HydrophobicContact CG1-CB 4.24Å; V29-V131 HydrophobicContact CG1-CG1 3.92Å; V29-V131 HydrophobicContact CG1-CG2 3.92Å; V29-V131 HydrophobicContact CG2-CG2 4.28Å; V29-A134 HydrophobicContact CB-CB 4.06Å; V29-A134 HydrophobicContact CG1-CB 3.93Å; V29-L135 HydrophobicContact CG1-CD1 4.43Å; V29-L135 HydrophobicContact CG1-CD2 4.05Å; V29-L135 HydrophobicContact CG1-CG 4.14Å
30R89.7Confident79.1Confident51 Ų5170.5 Ų70.519%0.19238%0.379CS..Hα-helixtrans-63-31.9179.8-70.9-174.766.193.9-1.9113.1L26 E27 P33 A134 L135 D181 E183 I184L26-R30 PolarHBondContact O-N 3.15Å; E27-R30 PolarHBondContact O-N 3.11Å; R30-P33 WeakPolarHBondContact O-CD 3.15Å; R30-A134 VanDerWaalsContact CD-O 3.29Å; R30-A134 WeakPolarHBondContact CD-O 3.23Å; R30-A134 HydrophobicContact CG-CB 4.25Å; R30-A134 WeakPolarHBondContact CG-O 3.44Å; R30-A134 PolarHBondContact NH1-O 2.66Å; R30-L135 HydrophobicContact CG-CD2 4.34Å; R30-D181 IonicContact CZ-OD2 3.51Å; R30-D181 VanDerWaalsContact CZ-OD2 3.23Å; R30-D181 IonicContact NH1-OD2 2.73Å; R30-D181 PolarHBondContact NH1-OD2 2.99Å; R30-D181 IonicContact NH2-OD2 3.5Å; R30-D181 PolarHBondContact NH2-OD2 3.44Å; R30-E183 IonicContact NH2-OE2 3.11Å; R30-I184 WeakPolarHBondContact O-CD1 3.45Å
31K84.9Confident79.9Confident109 Ų10966.2 Ų66.247%0.47436%0.359SS..Hα-helixtrans-80.4-26.4-179.2-161.6167-174.5171.70113.7L23 E27 V29L23-K31 HydrophobicContact CD1-CB 4.39Å; L23-K31 HydrophobicContact CD1-CD 3.72Å; L23-K31 HydrophobicContact CD2-CD 3.9Å; L23-K31 HydrophobicContact CG-CD 4.47Å; E27-K31 WeakPolarHBondContact O-CB 3.49Å; E27-K31 PolarHBondContact O-N 3.33Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 3.22Å
32R84.5Confident80.7Confident168 Ų16861.9 Ų61.963%0.63434%0.342SS*.SBendtrans-135.660.5178.2-65.1-167.9178.2-162.90.1111.7A28 V29 G34 M35 Y36A28-R32 PolarHBondContact O-N 2.83Å; V29-R32 CarbonylContact O-C 3.4Å; V29-R32 VanDerWaalsContact O-C 3.29Å; V29-R32 PolarHBondContact O-N 3.3Å; R32-G34 VanDerWaalsContact C-N 3.3Å; R32-G34 PolarHBondContact O-N 2.91Å; R32-M35 HydrophobicContact CB-CG 4.3Å; R32-M35 HydrophobicContact CB-SD 4.13Å; R32-M35 WeakPolarHBondContact O-CB 3.31Å; R32-M35 PolarHBondContact O-N 3.46Å; R32-M35 VanDerWaalsContact O-N 3.08Å; R32-Y36 WeakPolarHBondContact O-CD2 3.34Å
33P86.3Confident81.2Confident16 Ų1662.9 Ų62.910%0.10434%0.339CS..THydrogen-bonded Turntrans-56.7-41.7-174.221.6-34.3000112.6V29 R30 M35 Y36 I37 T40 L135 I184V29-P33 VanDerWaalsContact O-CA 3.27Å; V29-P33 WeakPolarHBondContact O-CA 3.31Å; R30-P33 WeakPolarHBondContact O-CD 3.15Å; P33-M35 PolarHBondContact O-N 2.78Å; P33-Y36 PolarHBondContact O-N 3.28Å; P33-I37 HydrophobicContact CB-CD1 4.48Å; P33-I37 HydrophobicContact CB-CG1 4.5Å; P33-I37 VanDerWaalsContact O-CG1 3.23Å; P33-I37 WeakPolarHBondContact O-CG1 3.38Å; P33-I37 PolarHBondContact O-N 3.35Å; P33-T40 HydrophobicContact CB-CG2 3.9Å; P33-T40 HydrophobicContact CG-CG2 3.35Å; P33-L135 HydrophobicContact CB-CD1 3.99Å; P33-L135 HydrophobicContact CB-CD2 3.93Å; P33-I184 HydrophobicContact CB-CG2 3.93Å; P33-I184 HydrophobicContact CG-CG2 3.94Å
34G78.8Confident81.9Confident32 Ų3259.6 Ų59.633%0.3332%0.322SS..Hα-helixtrans-56.8-25.7179.200000114.7R32 Y36 G38R32-G34 VanDerWaalsContact C-N 3.3Å; R32-G34 PolarHBondContact O-N 2.91Å; G34-Y36 PolarHBondContact O-N 2.83Å; G34-G38 CarbonylContact O-C 3.58Å; G34-G38 VanDerWaalsContact O-C 3.29Å; G34-G38 WeakPolarHBondContact O-CA 3.33Å; G34-G38 PolarHBondContact O-N 2.77Å
35M78.9Confident83Confident114 Ų11452.5 Ų52.556%0.56229%0.289SS*.Hα-helixtrans-68.3-23.8174.3-77.3-175.44000113.7R32 P33R32-M35 HydrophobicContact CB-CG 4.3Å; R32-M35 HydrophobicContact CB-SD 4.13Å; R32-M35 WeakPolarHBondContact O-CB 3.31Å; R32-M35 PolarHBondContact O-N 3.46Å; R32-M35 VanDerWaalsContact O-N 3.08Å; P33-M35 PolarHBondContact O-N 2.78Å
36Y81.3Confident83.8Confident67 Ų6750.3 Ų50.326%0.26326%0.264SS..Hα-helixtrans-103.2-37.5-174.6-62.1-91.5000112V29 R32 P33 G34 V127 V131V29-Y36 HydrophobicContact CB-CD2 4.25Å; V29-Y36 HydrophobicContact CB-CE2 4.18Å; V29-Y36 HydrophobicContact CG1-CD2 3.97Å; V29-Y36 HydrophobicContact CG1-CE2 4.42Å; V29-Y36 HydrophobicContact CG1-CG 4.07Å; V29-Y36 HydrophobicContact CG2-CD1 4.16Å; V29-Y36 HydrophobicContact CG2-CD2 4.3Å; V29-Y36 HydrophobicContact CG2-CE1 3.86Å; V29-Y36 HydrophobicContact CG2-CE2 4.03Å; V29-Y36 HydrophobicContact CG2-CG 4.37Å; R32-Y36 WeakPolarHBondContact O-CD2 3.34Å; P33-Y36 PolarHBondContact O-N 3.28Å; G34-Y36 PolarHBondContact O-N 2.83Å; Y36-V127 HydrophobicContact CD1-CG1 4.24Å; Y36-V127 HydrophobicContact CE1-CG1 4.47Å; Y36-V131 HydrophobicContact CD1-CG2 4Å; Y36-V131 HydrophobicContact CG-CG2 4.28Å
37I81.1Confident84Confident4 Ų452.2 Ų52.22%0.02127%0.272CS..Hα-helixtrans-116.33.9-175.655.6160.5000114P33 S39 H47 L48 V131 L135 F185P33-I37 HydrophobicContact CB-CD1 4.48Å; P33-I37 HydrophobicContact CB-CG1 4.5Å; P33-I37 VanDerWaalsContact O-CG1 3.23Å; P33-I37 WeakPolarHBondContact O-CG1 3.38Å; P33-I37 PolarHBondContact O-N 3.35Å; I37-S39 WeakPolarHBondContact CD1-O 3.42Å; I37-S39 WeakPolarHBondContact CG1-O 3.46Å; I37-S39 PolarHBondContact O-N 3.45Å; I37-H47 HydrophobicContact CB-CB 4.36Å; I37-H47 PolarHBondContact O-ND1 2.77Å; I37-L48 HydrophobicContact CD1-CD2 4.46Å; I37-L48 HydrophobicContact CG2-CD2 3.91Å; I37-V131 HydrophobicContact CG2-CG1 3.63Å; I37-L135 HydrophobicContact CD1-CD1 3.52Å; I37-L135 HydrophobicContact CG1-CD1 3.92Å; I37-L135 HydrophobicContact CG2-CD1 4.08Å; I37-F185 HydrophobicContact CD1-CE1 3.74Å; I37-F185 HydrophobicContact CD1-CZ 3.58Å
38G76.7Confident84.5Confident52 Ų5246.9 Ų46.954%0.53625%0.247SC..SBendtrans91.2-55.5178.600000113.3G34G34-G38 CarbonylContact O-C 3.58Å; G34-G38 VanDerWaalsContact O-C 3.29Å; G34-G38 WeakPolarHBondContact O-CA 3.33Å; G34-G38 PolarHBondContact O-N 2.77Å
39S81.9Confident84.9Confident29 Ų2945.7 Ų45.720%0.20324%0.237CC..  trans-143.3172.8-179.573.50000111.7I37 S41 G44I37-S39 WeakPolarHBondContact CD1-O 3.42Å; I37-S39 WeakPolarHBondContact CG1-O 3.46Å; I37-S39 PolarHBondContact O-N 3.45Å; S39-S41 PolarHBondContact OG-N 3.07Å; S39-S41 PolarHBondContact OG-OG 3.47Å; S39-G44 WeakPolarHBondContact O-CA 3.44Å; S39-G44 PolarHBondContact OG-N 3.26Å
40T85.6Confident85Confident43 Ų4347.6 Ų47.626%0.26424%0.244SC..SBendtrans-104.213.716748.70000112.1P33 I184P33-T40 HydrophobicContact CB-CG2 3.9Å; P33-T40 HydrophobicContact CG-CG2 3.35Å; T40-I184 HydrophobicContact CG2-CG2 4.03Å
41S85.9Confident84.9Confident23 Ų2346.3 Ų46.316%0.16124%0.24CC..SBendtrans-85.4-172.9176.971.60000110.9S39 E43 G44 L45 E187S39-S41 PolarHBondContact OG-N 3.07Å; S39-S41 PolarHBondContact OG-OG 3.47Å; S41-E43 PolarHBondContact O-N 3.08Å; S41-E43 VanDerWaalsContact O-N 3.13Å; S41-E43 PolarHBondContact OG-N 3.32Å; S41-G44 PolarHBondContact O-N 3.1Å; S41-G44 VanDerWaalsContact O-N 3.16Å; S41-L45 PolarHBondContact O-N 3.46Å; S41-E187 VanDerWaalsContact CA-OE2 3.24Å; S41-E187 WeakPolarHBondContact CA-OE2 3.4Å; S41-E187 WeakPolarHBondContact CB-OE2 3.22Å
42T83.6Confident85.2Confident45 Ų4541.3 Ų41.328%0.27622%0.219SC..Hα-helixtrans-54.2-29.7173.7-54.90000112.8L45 H46T42-L45 WeakPolarHBondContact O-CB 3.11Å; T42-L45 PolarHBondContact O-N 3.38Å; T42-H46 VanDerWaalsContact CG2-CE1 3.45Å; T42-H46 WeakPolarHBondContact CG2-CE1 3.34Å; T42-H46 PolarHBondContact O-N 2.99Å; T42-H46 VanDerWaalsContact O-N 3.11Å
43E81.2Confident85.6Confident135 Ų13533.3 Ų33.363%0.63119%0.189SC*.Hα-helixtrans-67.8-48.8176.6-68.3-171.7158.500112.4S41 L45 H46 H47S41-E43 PolarHBondContact O-N 3.08Å; S41-E43 VanDerWaalsContact O-N 3.13Å; S41-E43 PolarHBondContact OG-N 3.32Å; E43-L45 PolarHBondContact O-N 3.49Å; E43-H46 PolarHBondContact O-N 2.91Å; E43-H47 PolarHBondContact O-N 3.08Å
44G84.3Confident85.5Confident0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-61.1-35174.500000112.4S39 S41 H47 L48S39-G44 WeakPolarHBondContact O-CA 3.44Å; S39-G44 PolarHBondContact OG-N 3.26Å; S41-G44 PolarHBondContact O-N 3.1Å; S41-G44 VanDerWaalsContact O-N 3.16Å; G44-H47 VanDerWaalsContact O-CB 3.3Å; G44-H47 WeakPolarHBondContact O-CB 3.26Å; G44-H47 PolarHBondContact O-N 3.4Å; G44-L48 PolarHBondContact O-N 2.58Å
45L90.9Very high85.8Confident0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-60.9-49.1175-175.171.5000111.3S41 T42 E43 H47 L48 P180 F185 F191S41-L45 PolarHBondContact O-N 3.46Å; T42-L45 WeakPolarHBondContact O-CB 3.11Å; T42-L45 PolarHBondContact O-N 3.38Å; E43-L45 PolarHBondContact O-N 3.49Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.12Å; L45-L48 WeakPolarHBondContact O-CB 3.05Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-P180 HydrophobicContact CD1-CB 3.53Å; L45-P180 HydrophobicContact CD1-CG 3.54Å; L45-F185 HydrophobicContact CB-CD1 4.03Å; L45-F185 HydrophobicContact CB-CE1 4.07Å; L45-F185 HydrophobicContact CD1-CB 4.49Å; L45-F185 HydrophobicContact CD1-CD1 4.07Å; L45-F185 HydrophobicContact CD1-CD2 4.15Å; L45-F185 HydrophobicContact CD1-CE1 4.33Å; L45-F185 HydrophobicContact CD1-CE2 4.4Å; L45-F185 HydrophobicContact CD1-CG 3.97Å; L45-F185 HydrophobicContact CD1-CZ 4.48Å; L45-F191 HydrophobicContact CD1-CE1 4.09Å; L45-F191 HydrophobicContact CD1-CE2 4.38Å; L45-F191 HydrophobicContact CD1-CZ 3.83Å; L45-F191 HydrophobicContact CD2-CD1 4.17Å; L45-F191 HydrophobicContact CD2-CE1 4.19Å; L45-F191 HydrophobicContact CD2-CG 4.36Å; L45-F191 HydrophobicContact CD2-CZ 4.41Å; L45-F191 HydrophobicContact CG-CD1 4.05Å; L45-F191 HydrophobicContact CG-CE1 3.62Å; L45-F191 HydrophobicContact CG-CE2 4.49Å; L45-F191 HydrophobicContact CG-CZ 3.88Å; L45-F191 WeakPolarHBondContact O-CE1 3.29Å
46H90.5Very high86.4Confident11 Ų1129.6 Ų29.65%0.05116%0.163CC..Hα-helixtrans-67.8-30.5177.4-63.5165000112.1T42 E43 L48 V49 W50 F191 N192 L196T42-H46 VanDerWaalsContact CG2-CE1 3.45Å; T42-H46 WeakPolarHBondContact CG2-CE1 3.34Å; T42-H46 PolarHBondContact O-N 2.99Å; T42-H46 VanDerWaalsContact O-N 3.11Å; E43-H46 PolarHBondContact O-N 2.91Å; H46-L48 PolarHBondContact O-N 3.34Å; H46-V49 VanDerWaalsContact O-CB 3.3Å; H46-V49 WeakPolarHBondContact O-CB 3.45Å; H46-V49 PolarHBondContact O-N 2.84Å; H46-W50 PolarHBondContact O-N 3.2Å; H46-W50 PolarHBondContact O-NE1 2.84Å; H46-F191 AromaticContact CD2-CD1 3.7Å; H46-N192 PolarHBondContact NE2-N 3.07Å; H46-L196 HydrophobicContact CB-CD2 4.16Å
47H86.9Confident86.7Confident61 Ų6126.5 Ų26.528%0.28215%0.151SC..Hα-helixtrans-57.2-36175.1-152.3150.1000112.4I37 E43 G44 L45 V49 W50 E51I37-H47 HydrophobicContact CB-CB 4.36Å; I37-H47 PolarHBondContact O-ND1 2.77Å; E43-H47 PolarHBondContact O-N 3.08Å; G44-H47 VanDerWaalsContact O-CB 3.3Å; G44-H47 WeakPolarHBondContact O-CB 3.26Å; G44-H47 PolarHBondContact O-N 3.4Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.12Å; H47-V49 PolarHBondContact O-N 2.8Å; H47-W50 PolarHBondContact O-N 2.73Å; H47-W50 VanDerWaalsContact O-N 3.08Å; H47-E51 IonicContact NE2-OE1 3.14Å; H47-E51 PolarHBondContact O-N 3.02Å; H47-E51 VanDerWaalsContact O-N 3.1Å
48L91Very high86.8Confident0 Ų026.5 Ų26.50%015%0.151CC..Hα-helixtrans-57.4-38.9175.1-60.9-172.9000112.5I37 G44 L45 H46 V132 L135 F178 F185I37-L48 HydrophobicContact CD1-CD2 4.46Å; I37-L48 HydrophobicContact CG2-CD2 3.91Å; G44-L48 PolarHBondContact O-N 2.58Å; L45-L48 WeakPolarHBondContact O-CB 3.05Å; L45-L48 PolarHBondContact O-N 3.47Å; H46-L48 PolarHBondContact O-N 3.34Å; L48-V132 HydrophobicContact CB-CG1 4.49Å; L48-V132 HydrophobicContact CB-CG2 4.29Å; L48-V132 HydrophobicContact CD2-CG2 4.2Å; L48-V132 WeakPolarHBondContact O-CG2 3.3Å; L48-L135 HydrophobicContact CD1-CB 4.44Å; L48-L135 HydrophobicContact CD2-CB 4.3Å; L48-L135 HydrophobicContact CD2-CD1 4.14Å; L48-F178 HydrophobicContact CB-CE2 3.78Å; L48-F178 HydrophobicContact CB-CZ 3.91Å; L48-F178 HydrophobicContact CD1-CE2 4.08Å; L48-F185 HydrophobicContact CD1-CE2 3.6Å; L48-F185 HydrophobicContact CD1-CZ 3.58Å; L48-F185 HydrophobicContact CD2-CZ 4.44Å; L48-F185 HydrophobicContact CG-CZ 4.03Å
49V92.8Very high87.2Confident0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-64.2-43.9177.1-172.20000110H46 H47 E51 I52 V53 V70 I78 F178 F191 L196H46-V49 VanDerWaalsContact O-CB 3.3Å; H46-V49 WeakPolarHBondContact O-CB 3.45Å; H46-V49 PolarHBondContact O-N 2.84Å; H47-V49 PolarHBondContact O-N 2.8Å; V49-E51 PolarHBondContact O-N 3.21Å; V49-I52 PolarHBondContact O-N 2.65Å; V49-V53 HydrophobicContact CG1-CG2 4.08Å; V49-V53 WeakPolarHBondContact O-CG2 3.27Å; V49-V53 PolarHBondContact O-N 2.62Å; V49-V70 HydrophobicContact CG1-CG1 4.14Å; V49-I78 HydrophobicContact CG1-CG2 4.21Å; V49-I78 HydrophobicContact CG2-CD1 4.29Å; V49-I78 HydrophobicContact CG2-CG1 4.02Å; V49-I78 HydrophobicContact CG2-CG2 4.24Å; V49-F178 HydrophobicContact CG2-CZ 4.07Å; V49-F191 HydrophobicContact CG2-CD1 3.97Å; V49-F191 HydrophobicContact CG2-CE1 3.5Å; V49-F191 VanDerWaalsContact CG2-CE1 3.5Å; V49-F191 HydrophobicContact CG2-CZ 4.34Å; V49-L196 HydrophobicContact CB-CD2 4.23Å; V49-L196 HydrophobicContact CG1-CD2 4.29Å; V49-L196 HydrophobicContact CG2-CD2 4.04Å
50W89Confident87.4Confident39 Ų3924.5 Ų24.515%0.14813%0.128CC..Hα-helixtrans-64.2-38.4-177.7-51.7142.7000113.2H46 H47 I52 V53 D54 L196 R199 V200H46-W50 PolarHBondContact O-N 3.2Å; H46-W50 PolarHBondContact O-NE1 2.84Å; H47-W50 PolarHBondContact O-N 2.73Å; H47-W50 VanDerWaalsContact O-N 3.08Å; W50-I52 PolarHBondContact O-N 3.27Å; W50-V53 HydrophobicContact CE3-CB 4.45Å; W50-V53 HydrophobicContact CE3-CG2 4.43Å; W50-V53 PolarHBondContact O-N 2.79Å; W50-D54 VanDerWaalsContact O-CB 3.26Å; W50-D54 WeakPolarHBondContact O-CB 3.33Å; W50-D54 VanDerWaalsContact O-CG 3.27Å; W50-D54 PolarHBondContact O-N 2.86Å; W50-L196 HydrophobicContact CH2-CB 4.16Å; W50-L196 HydrophobicContact CH2-CD2 3.43Å; W50-L196 VanDerWaalsContact CH2-CD2 3.43Å; W50-L196 HydrophobicContact CH2-CG 4.4Å; W50-L196 HydrophobicContact CZ2-CD2 3.45Å; W50-L196 VanDerWaalsContact CZ2-CD2 3.45Å; W50-L196 HydrophobicContact CZ3-CD2 4.32Å; W50-R199 HydrophobicContact CD2-CG 4.07Å; W50-R199 HydrophobicContact CE3-CG 4.06Å; W50-R199 HydrophobicContact CH2-CB 3.45Å; W50-R199 VanDerWaalsContact CH2-CB 3.45Å; W50-R199 HydrophobicContact CH2-CG 3.57Å; W50-R199 HydrophobicContact CZ2-CB 3.51Å; W50-R199 HydrophobicContact CZ2-CG 3.53Å; W50-R199 HydrophobicContact CZ3-CB 4.14Å; W50-R199 HydrophobicContact CZ3-CG 3.83Å; W50-V200 HydrophobicContact CH2-CG2 4.47Å; W50-V200 HydrophobicContact CZ3-CG2 4.21Å
51E87.1Confident87.1Confident24 Ų2425.8 Ų25.811%0.11213%0.133CC..Hα-helixtrans-62.4-29.7176.9-73-65.4161.100112.8H47 V49 N55 G128 V132H47-E51 IonicContact NE2-OE1 3.14Å; H47-E51 PolarHBondContact O-N 3.02Å; H47-E51 VanDerWaalsContact O-N 3.1Å; V49-E51 PolarHBondContact O-N 3.21Å; E51-N55 PolarHBondContact O-ND2 2.75Å; E51-G128 WeakPolarHBondContact OE2-CA 3.19Å; E51-V132 HydrophobicContact CB-CG2 3.87Å
52I91.8Very high86.6Confident4 Ų426.4 Ų26.42%0.02114%0.14CC..Hα-helixtrans-82.6-46.2174.5-55.9-54.7000111.1V49 W50 D54 N55 S56 V80 F104 A129 V132 V176 F178V49-I52 PolarHBondContact O-N 2.65Å; W50-I52 PolarHBondContact O-N 3.27Å; I52-D54 VanDerWaalsContact C-N 3.31Å; I52-D54 PolarHBondContact O-N 3.14Å; I52-N55 WeakPolarHBondContact O-CB 3.3Å; I52-N55 PolarHBondContact O-N 2.97Å; I52-S56 PolarHBondContact O-N 3.45Å; I52-V80 HydrophobicContact CB-CB 4.45Å; I52-V80 HydrophobicContact CB-CG2 4.24Å; I52-V80 HydrophobicContact CG2-CB 3.62Å; I52-V80 HydrophobicContact CG2-CG1 3.9Å; I52-V80 HydrophobicContact CG2-CG2 3.93Å; I52-F104 HydrophobicContact CD1-CE1 4.41Å; I52-A129 HydrophobicContact CD1-CB 4.48Å; I52-V132 HydrophobicContact CD1-CB 4.09Å; I52-V132 HydrophobicContact CD1-CG1 4.17Å; I52-V132 HydrophobicContact CD1-CG2 3.92Å; I52-V132 HydrophobicContact CG1-CB 4.47Å; I52-V132 HydrophobicContact CG1-CG1 4.15Å; I52-V132 HydrophobicContact CG1-CG2 4.08Å; I52-V176 HydrophobicContact CD1-CG1 4.18Å; I52-V176 HydrophobicContact CG1-CG1 4.37Å; I52-V176 HydrophobicContact CG2-CB 3.88Å; I52-V176 HydrophobicContact CG2-CG1 4.29Å; I52-V176 HydrophobicContact CG2-CG2 4.01Å; I52-F178 HydrophobicContact CG1-CE1 4.33Å
53V91.3Very high86.5Confident0 Ų027.4 Ų27.40%016%0.159CC..Hα-helixtrans-59.9-40.1179172.30000111.6V49 W50 N55 S56 I57 V70 V80 L203V49-V53 HydrophobicContact CG1-CG2 4.08Å; V49-V53 WeakPolarHBondContact O-CG2 3.27Å; V49-V53 PolarHBondContact O-N 2.62Å; W50-V53 HydrophobicContact CE3-CB 4.45Å; W50-V53 HydrophobicContact CE3-CG2 4.43Å; W50-V53 PolarHBondContact O-N 2.79Å; V53-N55 VanDerWaalsContact C-N 3.31Å; V53-N55 PolarHBondContact O-N 2.8Å; V53-S56 WeakPolarHBondContact O-CB 3.34Å; V53-S56 PolarHBondContact O-N 2.91Å; V53-S56 VanDerWaalsContact O-N 3.13Å; V53-I57 HydrophobicContact CG1-CD1 3.92Å; V53-I57 HydrophobicContact CG1-CG1 4.35Å; V53-I57 WeakPolarHBondContact O-CG1 3.23Å; V53-I57 PolarHBondContact O-N 3.3Å; V53-V70 HydrophobicContact CG2-CG2 3.74Å; V53-V80 HydrophobicContact CG2-CG1 3.96Å; V53-V80 HydrophobicContact CG2-CG2 4.12Å; V53-L203 HydrophobicContact CG1-CD1 3.82Å
54D85.3Confident86.8Confident22 Ų2226 Ų2612%0.11815%0.151CC..Hα-helixtrans-63.6-35.8178.7-77.9-15.1000112.1W50 I52 S56 I57 D58W50-D54 VanDerWaalsContact O-CB 3.26Å; W50-D54 WeakPolarHBondContact O-CB 3.33Å; W50-D54 VanDerWaalsContact O-CG 3.27Å; W50-D54 PolarHBondContact O-N 2.86Å; I52-D54 VanDerWaalsContact C-N 3.31Å; I52-D54 PolarHBondContact O-N 3.14Å; D54-S56 VanDerWaalsContact C-N 3.35Å; D54-I57 PolarHBondContact O-N 2.83Å; D54-D58 PolarHBondContact O-N 3.3Å
55N85.4Confident87Confident58 Ų5826.4 Ų26.431%0.3115%0.154SC..Hα-helixtrans-66.6-37.8173.8-67.8-38.3000111.6E51 I52 V53 D58 E59E51-N55 PolarHBondContact O-ND2 2.75Å; I52-N55 WeakPolarHBondContact O-CB 3.3Å; I52-N55 PolarHBondContact O-N 2.97Å; V53-N55 VanDerWaalsContact C-N 3.31Å; V53-N55 PolarHBondContact O-N 2.8Å; N55-D58 WeakPolarHBondContact O-CB 3.42Å; N55-D58 PolarHBondContact O-N 2.96Å; N55-E59 PolarHBondContact O-N 3.11Å
56S90.4Very high87Confident4 Ų431 Ų313%0.02818%0.182CC..Hα-helixtrans-67.7-35.4173.7-64.30000112I52 V53 D54 E59 A60 D82I52-S56 PolarHBondContact O-N 3.45Å; V53-S56 WeakPolarHBondContact O-CB 3.34Å; V53-S56 PolarHBondContact O-N 2.91Å; V53-S56 VanDerWaalsContact O-N 3.13Å; D54-S56 VanDerWaalsContact C-N 3.35Å; S56-E59 WeakPolarHBondContact O-CB 3.38Å; S56-E59 PolarHBondContact O-N 3.24Å; S56-A60 PolarHBondContact O-N 2.82Å; S56-D82 PolarHBondContact OG-OD2 2.8Å
57I87.8Confident87.3Confident2 Ų233.1 Ų33.11%0.0119%0.192CC..Hα-helixtrans-68.4-35174-69.1173.5000111.5V53 D54 E59 A60 L61 I68 L203 L210 N283V53-I57 HydrophobicContact CG1-CD1 3.92Å; V53-I57 HydrophobicContact CG1-CG1 4.35Å; V53-I57 WeakPolarHBondContact O-CG1 3.23Å; V53-I57 PolarHBondContact O-N 3.3Å; D54-I57 PolarHBondContact O-N 2.83Å; I57-E59 PolarHBondContact O-N 3.33Å; I57-A60 CarbonylContact O-C 3.45Å; I57-A60 WeakPolarHBondContact O-CA 3.35Å; I57-A60 WeakPolarHBondContact O-CB 3.38Å; I57-A60 PolarHBondContact O-N 3.03Å; I57-L61 HydrophobicContact CG2-CD1 4.12Å; I57-L61 HydrophobicContact CG2-CG 4.16Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; I57-L61 PolarHBondContact O-N 2.79Å; I57-I68 HydrophobicContact CB-CD1 4.35Å; I57-I68 HydrophobicContact CG1-CD1 3.5Å; I57-L203 HydrophobicContact CD1-CB 3.99Å; I57-L203 HydrophobicContact CD1-CD1 3.83Å; I57-L203 HydrophobicContact CD1-CD2 3.81Å; I57-L203 HydrophobicContact CD1-CG 4.08Å; I57-L210 HydrophobicContact CG1-CD2 4.23Å; I57-N283 WeakPolarHBondContact CG2-ND2 3.01Å
58D83.3Confident87.7Confident4 Ų430.2 Ų30.22%0.02118%0.179CC..Hα-helixtrans-58.3-35.8174.2-74.4-30.1000111.5D54 N55 L61 A62 K112 Y118 S121D54-D58 PolarHBondContact O-N 3.3Å; N55-D58 WeakPolarHBondContact O-CB 3.42Å; N55-D58 PolarHBondContact O-N 2.96Å; D58-L61 PolarHBondContact O-N 3.37Å; D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.08Å; D58-K112 VanDerWaalsContact OD2-CE 3.31Å; D58-K112 WeakPolarHBondContact OD2-CE 3.22Å; D58-K112 IonicContact OD2-NZ 3.83Å; D58-K112 PolarHBondContact OD2-NZ 3.02Å; D58-Y118 HydrophobicContact CB-CD1 4.05Å; D58-Y118 HydrophobicContact CB-CE1 3.76Å; D58-Y118 VanDerWaalsContact O-CE1 3.3Å; D58-Y118 WeakPolarHBondContact O-CE1 3.37Å; D58-S121 WeakPolarHBondContact OD1-CA 3.35Å; D58-S121 VanDerWaalsContact OD1-CB 3.27Å; D58-S121 WeakPolarHBondContact OD1-CB 3.16Å; D58-S121 PolarHBondContact OD1-OG 3Å; D58-S121 PolarHBondContact OD2-OG 2.92Å
59E86.2Confident87.9Confident19 Ų1932.3 Ų32.39%0.08919%0.188CC..Hα-helixtrans-67-36.2173-74.2-70.1132.800112.6N55 S56 I57 A62 G63 F64 A65 R85 Y118N55-E59 PolarHBondContact O-N 3.11Å; S56-E59 WeakPolarHBondContact O-CB 3.38Å; S56-E59 PolarHBondContact O-N 3.24Å; I57-E59 PolarHBondContact O-N 3.33Å; E59-A62 PolarHBondContact O-N 2.93Å; E59-G63 PolarHBondContact O-N 3.2Å; E59-F64 PolarHBondContact O-N 3.42Å; E59-A65 HydrophobicContact CB-CB 3.93Å; E59-A65 PolarHBondContact O-N 3.18Å; E59-R85 IonicContact OE1-CZ 3.87Å; E59-R85 IonicContact OE1-NE 2.74Å; E59-R85 PolarHBondContact OE1-NE 3.33Å; E59-R85 IonicContact OE1-NH2 3.32Å; E59-R85 PolarHBondContact OE1-NH2 2.75Å; E59-R85 WeakPolarHBondContact OE2-CB 3.39Å; E59-R85 WeakPolarHBondContact OE2-CG 3.43Å; E59-R85 IonicContact OE2-CZ 2.99Å; E59-R85 PolarHBondContact OE2-N 3.19Å; E59-R85 IonicContact OE2-NE 3.05Å; E59-R85 PolarHBondContact OE2-NE 2.86Å; E59-R85 IonicContact OE2-NH2 2.75Å; E59-Y118 PolarHBondContact OE1-OH 2.73Å
60A85.2Confident88.1Confident20 Ų2032.3 Ų32.317%0.16519%0.188CC..Hα-helixtrans-68.2-43.8173.800000111.9S56 I57 A62 G63 A65 L210S56-A60 PolarHBondContact O-N 2.82Å; I57-A60 CarbonylContact O-C 3.45Å; I57-A60 WeakPolarHBondContact O-CA 3.35Å; I57-A60 WeakPolarHBondContact O-CB 3.38Å; I57-A60 PolarHBondContact O-N 3.03Å; A60-A62 PolarHBondContact O-N 3.21Å; A60-G63 WeakPolarHBondContact O-CA 3.45Å; A60-G63 PolarHBondContact O-N 2.89Å; A60-A65 WeakPolarHBondContact CA-O 3.47Å; A60-A65 HydrophobicContact CB-CB 4.07Å; A60-L210 HydrophobicContact CB-CD1 3.62Å; A60-L210 HydrophobicContact CB-CD2 3.66Å; A60-L210 HydrophobicContact CB-CG 4.24Å
61L78.5Confident88.5Confident70 Ų7030.8 Ų30.837%0.36618%0.183SC..Hα-helixtrans-63.3-28.4175.3-70.2174.4000112.3I57 D58I57-L61 HydrophobicContact CG2-CD1 4.12Å; I57-L61 HydrophobicContact CG2-CG 4.16Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; I57-L61 PolarHBondContact O-N 2.79Å; D58-L61 PolarHBondContact O-N 3.37Å
62A76.5Confident89Confident37 Ų3729.6 Ų29.631%0.30618%0.178SC..THydrogen-bonded Turntrans-78.7-5.8171.400000113.6D58 E59 A60 F64 Y118D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.08Å; E59-A62 PolarHBondContact O-N 2.93Å; A60-A62 PolarHBondContact O-N 3.21Å; A62-F64 HydrophobicContact CB-CD2 3.72Å; A62-F64 HydrophobicContact CB-CE2 4.05Å; A62-F64 VanDerWaalsContact O-CD2 3.24Å; A62-F64 WeakPolarHBondContact O-CD2 3.44Å; A62-F64 WeakPolarHBondContact O-CE2 3.4Å; A62-Y118 HydrophobicContact CB-CD1 4.07Å; A62-Y118 HydrophobicContact CB-CE1 4.06Å
63G81.4Confident89.2Confident66 Ų6631.3 Ų31.368%0.6819%0.186SC*.THydrogen-bonded Turntrans85.518176.600000115.1E59 A60E59-G63 PolarHBondContact O-N 3.2Å; A60-G63 WeakPolarHBondContact O-CA 3.45Å; A60-G63 PolarHBondContact O-N 2.89Å
64F87.1Confident89.3Confident106 Ų10638.8 Ų38.847%0.46522%0.221SC..  trans-110.2-23.7-175.6-64-81.1000114.7E59 A62 R85E59-F64 PolarHBondContact O-N 3.42Å; A62-F64 HydrophobicContact CB-CD2 3.72Å; A62-F64 HydrophobicContact CB-CE2 4.05Å; A62-F64 VanDerWaalsContact O-CD2 3.24Å; A62-F64 WeakPolarHBondContact O-CD2 3.44Å; A62-F64 WeakPolarHBondContact O-CE2 3.4Å; F64-R85 HydrophobicContact CB-CG 3.68Å; F64-R85 HydrophobicContact CD1-CG 3.46Å; F64-R85 VanDerWaalsContact CD1-CG 3.46Å; F64-R85 VanDerWaalsContact CD2-CD 3.46Å; F64-R85 HydrophobicContact CD2-CG 4Å; F64-R85 VanDerWaalsContact CD2-CZ 3.47Å; F64-R85 VanDerWaalsContact CD2-NE 3.3Å; F64-R85 HydrophobicContact CE1-CG 4.06Å; F64-R85 VanDerWaalsContact CG-CD 3.42Å; F64-R85 HydrophobicContact CG-CG 3.42Å; F64-R85 VanDerWaalsContact CG-CG 3.42Å
65A88.8Confident89.6Confident8 Ų842.5 Ų42.57%0.06624%0.24CC..  trans-105.7138176.400000111E59 A60 D83E59-A65 HydrophobicContact CB-CB 3.93Å; E59-A65 PolarHBondContact O-N 3.18Å; A60-A65 WeakPolarHBondContact CA-O 3.47Å; A60-A65 HydrophobicContact CB-CB 4.07Å; A65-D83 WeakPolarHBondContact CA-OD1 3.49Å; A65-D83 VanDerWaalsContact CB-OD1 3.32Å; A65-D83 WeakPolarHBondContact CB-OD1 3.46Å
66T91.9Very high89.9Confident96 Ų9641.8 Ų41.859%0.58924%0.237SC*.  trans-116-17.2174.669.20000112.6D83 K211T66-D83 VanDerWaalsContact N-CG 3.35Å; T66-D83 PolarHBondContact N-OD1 3.3Å; T66-D83 PolarHBondContact N-OD2 2.68Å; T66-D83 VanDerWaalsContact N-OD2 3.16Å; T66-D83 PolarHBondContact OG1-OD2 3.02Å; T66-K211 PolarHBondContact O-N 3.34Å; T66-K211 VanDerWaalsContact O-N 3.08Å
67H95.2Very high90.2Very high55 Ų5541.7 Ų41.726%0.25524%0.236SC..EExtended strand (participates in β ladder)trans-140.5129.5-176.3-17251.6000113.1D83 K211 S213H67-D83 VanDerWaalsContact N-CG 3.35Å; H67-D83 PolarHBondContact N-OD1 2.95Å; H67-D83 PolarHBondContact N-OD2 2.85Å; H67-D83 PolarHBondContact O-N 3.32Å; H67-D83 VanDerWaalsContact O-OD1 3.08Å; H67-K211 VanDerWaalsContact CA-O 3.31Å; H67-K211 WeakPolarHBondContact CA-O 3.18Å; H67-K211 PolarHBondContact ND1-O 3.33Å; H67-K211 VanDerWaalsContact ND1-O 3.08Å; H67-S213 PolarHBondContact CE1-OG 2.59Å; H67-S213 PolarHBondContact NE2-OG 3.31Å
68I95.2Very high90.6Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7130.4171.6-53.5173.7000108.7I57 V80 S81 D82 L210 K211 L212 S213I57-I68 HydrophobicContact CB-CD1 4.35Å; I57-I68 HydrophobicContact CG1-CD1 3.5Å; I68-V80 HydrophobicContact CG2-CG1 4.29Å; I68-S81 CarbonylContact C-O 3.56Å; I68-S81 WeakPolarHBondContact CA-O 3.44Å; I68-D82 HydrophobicContact CG1-CB 4.46Å; I68-L210 HydrophobicContact CD1-CD1 4.48Å; I68-L210 HydrophobicContact CD1-CD2 3.93Å; I68-L210 HydrophobicContact CG1-CD1 4.44Å; I68-K211 PolarHBondContact N-O 2.99Å; I68-L212 HydrophobicContact CB-CG 4.26Å; I68-L212 CarbonylContact O-C 3.56Å; I68-L212 WeakPolarHBondContact O-CA 3.22Å; I68-S213 PolarHBondContact O-N 3.31Å; I68-S213 PolarHBondContact O-OG 3.29Å
69H96.5Very high91.3Very high45 Ų4542 Ų4221%0.20824%0.238CC..EExtended strand (participates in β ladder)trans-122.8122.4-178.7-171.9-155000110.8V71 V80 S81 S213 E215H69-V71 VanDerWaalsContact CE1-CG2 3.44Å; H69-V71 WeakPolarHBondContact CE1-CG2 3.44Å; H69-V80 CarbonylContact O-C 3.51Å; H69-V80 WeakPolarHBondContact O-CA 3.42Å; H69-S81 PolarHBondContact N-O 2.78Å; H69-S81 PolarHBondContact O-N 3.07Å; H69-S213 WeakPolarHBondContact CA-OG 3.39Å; H69-S213 WeakPolarHBondContact CB-OG 3.11Å; H69-S213 PolarHBondContact CD2-OG 2.93Å; H69-E215 IonicContact CE1-OE2 2.69Å; H69-E215 IonicContact NE2-OE2 3.23Å
70V97.1Very high91.8Very high0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-110.4127.9177.5-177.90000108.9V49 V53 T79 V80 V200 S213 I214 E215V49-V70 HydrophobicContact CG1-CG1 4.14Å; V53-V70 HydrophobicContact CG2-CG2 3.74Å; V70-T79 CarbonylContact C-O 3.49Å; V70-T79 WeakPolarHBondContact CA-O 3.34Å; V70-V80 HydrophobicContact CG2-CG1 4.44Å; V70-V80 HydrophobicContact CG2-CG2 4.44Å; V70-V200 HydrophobicContact CG2-CG2 4.32Å; V70-S213 PolarHBondContact N-O 3.15Å; V70-I214 HydrophobicContact CB-CB 4.48Å; V70-I214 HydrophobicContact CB-CG1 4.1Å; V70-I214 HydrophobicContact CG1-CD1 4.48Å; V70-I214 HydrophobicContact CG1-CG1 4.21Å; V70-I214 CarbonylContact O-C 3.52Å; V70-I214 WeakPolarHBondContact O-CA 3Å; V70-E215 PolarHBondContact O-N 3Å
71V97.5Very high92.3Very high6 Ų641.6 Ų41.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-124.6128.7-178.5-174.50000109.1H69 E73 I78 T79 E215 K217H69-V71 VanDerWaalsContact CE1-CG2 3.44Å; H69-V71 WeakPolarHBondContact CE1-CG2 3.44Å; V71-E73 HydrophobicContact CG1-CG 4.36Å; V71-I78 WeakPolarHBondContact O-CA 3.43Å; V71-T79 PolarHBondContact N-O 3.14Å; V71-T79 PolarHBondContact O-N 2.96Å; V71-E215 WeakPolarHBondContact CA-O 3.1Å; V71-E215 HydrophobicContact CG1-CB 4.4Å; V71-E215 HydrophobicContact CG2-CB 4.38Å; V71-K217 HydrophobicContact CG1-CD 4.01Å; V71-K217 HydrophobicContact CG1-CG 4.17Å
72V96.5Very high93.1Very high0 Ų039.2 Ų39.20%022%0.224CC..EExtended strand (participates in β ladder)trans-90.7109161.7-170.50000106.8I78 F191 F193 L196 E215 K217 R218V72-I78 HydrophobicContact CB-CD1 4.38Å; V72-I78 HydrophobicContact CG1-CD1 4.49Å; V72-I78 HydrophobicContact CG2-CD1 3.83Å; V72-F191 HydrophobicContact CG1-CB 4.44Å; V72-F193 HydrophobicContact CG2-CD2 4.31Å; V72-L196 HydrophobicContact CG2-CD1 3.94Å; V72-E215 PolarHBondContact N-O 3.06Å; V72-K217 PolarHBondContact O-N 3.38Å; V72-R218 HydrophobicContact CG1-CG 4.43Å
73E96.3Very high94Very high39 Ų3939.9 Ų39.918%0.18222%0.222CC..  trans-76.1167.8-177-54.8-70.8179.200111.3V71 D75 N76 S77 T79 K217 R218V71-E73 HydrophobicContact CG1-CG 4.36Å; E73-D75 PolarHBondContact O-N 2.79Å; E73-D75 VanDerWaalsContact O-N 3.14Å; E73-N76 PolarHBondContact O-N 3.33Å; E73-S77 WeakPolarHBondContact CB-OG 3.37Å; E73-S77 WeakPolarHBondContact CG-OG 3.26Å; E73-S77 PolarHBondContact N-O 2.88Å; E73-T79 WeakPolarHBondContact OE1-CB 3.08Å; E73-T79 PolarHBondContact OE1-OG1 2.77Å; E73-K217 IonicContact OE1-NZ 3.55Å; E73-K217 WeakPolarHBondContact OE2-CD 3.31Å; E73-K217 IonicContact OE2-NZ 3.62Å; E73-K217 PolarHBondContact OE2-NZ 2.81Å; E73-R218 WeakPolarHBondContact O-CG 3.4Å
74E92.9Very high94.4Very high158 Ų15836.9 Ų36.974%0.73819%0.191SC*.THydrogen-bonded Turntrans-55.2-30.8-178.7-70175.7-162.800113.4K217E74-K217 HydrophobicContact CG-CB 4.12Å; E74-K217 WeakPolarHBondContact CG-O 3.46Å
75D92.4Very high94.5Very high99 Ų9935.7 Ų35.753%0.52918%0.183SC..THydrogen-bonded Turntrans-90.410.5-179.268.7-11.5000114.2E73 S77E73-D75 PolarHBondContact O-N 2.79Å; E73-D75 VanDerWaalsContact O-N 3.14Å; D75-S77 VanDerWaalsContact C-N 3.25Å; D75-S77 PolarHBondContact O-N 3.39Å; D75-S77 WeakPolarHBondContact OD1-CB 3.17Å; D75-S77 PolarHBondContact OD1-N 2.91Å; D75-S77 PolarHBondContact OD1-OG 2.93Å
76N91.6Very high94.6Very high44 Ų4435.4 Ų35.424%0.23518%0.182CC..SBendtrans65.714.3-171.3-64.8-77.4000115.3E73 F191 R218E73-N76 PolarHBondContact O-N 3.33Å; N76-F191 WeakPolarHBondContact O-CD2 3.44Å; N76-F191 WeakPolarHBondContact O-CE2 3.33Å; N76-R218 WeakPolarHBondContact OD1-CD 3.36Å; N76-R218 PolarHBondContact OD1-NH1 2.88Å
77S95.7Very high94.5Very high1 Ų132.4 Ų32.41%0.00716%0.161CC..  trans-75.9167.1167.766.80000111.9E73 D75 H177E73-S77 WeakPolarHBondContact CB-OG 3.37Å; E73-S77 WeakPolarHBondContact CG-OG 3.26Å; E73-S77 PolarHBondContact N-O 2.88Å; D75-S77 VanDerWaalsContact C-N 3.25Å; D75-S77 PolarHBondContact O-N 3.39Å; D75-S77 WeakPolarHBondContact OD1-CB 3.17Å; D75-S77 PolarHBondContact OD1-N 2.91Å; D75-S77 PolarHBondContact OD1-OG 2.93Å; S77-H177 PolarHBondContact OG-CE1 3Å
78I97.4Very high94.2Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-118.7131.3-179.6-66-70.6000110.4V49 V71 V72 V80 H177 F178 F191 L196V49-I78 HydrophobicContact CG1-CG2 4.21Å; V49-I78 HydrophobicContact CG2-CD1 4.29Å; V49-I78 HydrophobicContact CG2-CG1 4.02Å; V49-I78 HydrophobicContact CG2-CG2 4.24Å; V71-I78 WeakPolarHBondContact O-CA 3.43Å; V72-I78 HydrophobicContact CB-CD1 4.38Å; V72-I78 HydrophobicContact CG1-CD1 4.49Å; V72-I78 HydrophobicContact CG2-CD1 3.83Å; I78-V80 HydrophobicContact CG2-CG2 3.9Å; I78-H177 CarbonylContact O-C 3.58Å; I78-H177 VanDerWaalsContact O-CA 3.31Å; I78-H177 WeakPolarHBondContact O-CA 3.43Å; I78-F178 HydrophobicContact CB-CD1 4.17Å; I78-F178 HydrophobicContact CB-CE1 3.63Å; I78-F178 HydrophobicContact CB-CE2 4.31Å; I78-F178 HydrophobicContact CB-CZ 3.71Å; I78-F178 HydrophobicContact CG1-CZ 4.15Å; I78-F178 HydrophobicContact CG2-CD1 4.28Å; I78-F178 HydrophobicContact CG2-CE1 3.49Å; I78-F178 VanDerWaalsContact CG2-CE1 3.49Å; I78-F178 HydrophobicContact CG2-CZ 3.87Å; I78-F178 PolarHBondContact N-O 2.95Å; I78-F178 VanDerWaalsContact N-O 3.09Å; I78-F178 PolarHBondContact O-N 2.82Å; I78-F191 HydrophobicContact CD1-CB 4.42Å; I78-F191 HydrophobicContact CD1-CD1 4.01Å; I78-F191 HydrophobicContact CD1-CD2 3.91Å; I78-F191 HydrophobicContact CD1-CE1 4.24Å; I78-F191 HydrophobicContact CD1-CE2 4.12Å; I78-F191 HydrophobicContact CD1-CG 3.85Å; I78-F191 HydrophobicContact CD1-CZ 4.28Å; I78-F191 HydrophobicContact CG1-CD1 4Å; I78-F191 HydrophobicContact CG1-CD2 3.73Å; I78-F191 HydrophobicContact CG1-CE1 3.72Å; I78-F191 HydrophobicContact CG1-CE2 3.41Å; I78-F191 VanDerWaalsContact CG1-CE2 3.41Å; I78-F191 HydrophobicContact CG1-CG 4.02Å; I78-F191 HydrophobicContact CG1-CZ 3.4Å; I78-L196 HydrophobicContact CD1-CD1 4.08Å
79T97.7Very high94Very high13 Ų1334 Ų348%0.0818%0.177CC..EExtended strand (participates in β ladder)trans-114.5127.3168-54.70000109.6V70 V71 E73 T175 V176 H177V70-T79 CarbonylContact C-O 3.49Å; V70-T79 WeakPolarHBondContact CA-O 3.34Å; V71-T79 PolarHBondContact N-O 3.14Å; V71-T79 PolarHBondContact O-N 2.96Å; E73-T79 WeakPolarHBondContact OE1-CB 3.08Å; E73-T79 PolarHBondContact OE1-OG1 2.77Å; T79-T175 HydrophobicContact CG2-CG2 3.62Å; T79-V176 CarbonylContact C-O 3.57Å; T79-V176 WeakPolarHBondContact CA-O 3.46Å; T79-H177 PolarHBondContact OG1-ND1 2.81Å
80V97.1Very high93.7Very high1 Ų134.1 Ų34.11%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-118.5127.4171.4-175.80000108.7I52 V53 I68 H69 V70 I78 T175 V176I52-V80 HydrophobicContact CB-CB 4.45Å; I52-V80 HydrophobicContact CB-CG2 4.24Å; I52-V80 HydrophobicContact CG2-CB 3.62Å; I52-V80 HydrophobicContact CG2-CG1 3.9Å; I52-V80 HydrophobicContact CG2-CG2 3.93Å; V53-V80 HydrophobicContact CG2-CG1 3.96Å; V53-V80 HydrophobicContact CG2-CG2 4.12Å; I68-V80 HydrophobicContact CG2-CG1 4.29Å; H69-V80 CarbonylContact O-C 3.51Å; H69-V80 WeakPolarHBondContact O-CA 3.42Å; V70-V80 HydrophobicContact CG2-CG1 4.44Å; V70-V80 HydrophobicContact CG2-CG2 4.44Å; I78-V80 HydrophobicContact CG2-CG2 3.9Å; V80-T175 CarbonylContact O-C 3.57Å; V80-T175 WeakPolarHBondContact O-CA 3.38Å; V80-V176 PolarHBondContact N-O 2.87Å; V80-V176 PolarHBondContact O-N 2.93Å
81S96.1Very high93.3Very high30 Ų3039.8 Ų39.821%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-126.9139.1178.5-58.70000111.7I68 H69 T174 T175I68-S81 CarbonylContact C-O 3.56Å; I68-S81 WeakPolarHBondContact CA-O 3.44Å; H69-S81 PolarHBondContact N-O 2.78Å; H69-S81 PolarHBondContact O-N 3.07Å; S81-T174 CarbonylContact C-O 3.57Å; S81-T174 WeakPolarHBondContact CA-O 3.22Å; S81-T175 WeakPolarHBondContact OG-CG2 3.15Å; S81-T175 PolarHBondContact OG-OG1 2.86Å
82D94.8Very high92.9Very high20 Ų2042.3 Ų42.311%0.10723%0.23CC..EExtended strand (participates in β ladder)trans-125.8159.4170.364.875.3000111.9S56 I68 G84 G173 T174S56-D82 PolarHBondContact OG-OD2 2.8Å; I68-D82 HydrophobicContact CG1-CB 4.46Å; D82-G84 PolarHBondContact OD1-N 3.25Å; D82-G173 VanDerWaalsContact O-CA 3.29Å; D82-G173 WeakPolarHBondContact O-CA 3.45Å; D82-T174 PolarHBondContact N-O 2.78Å; D82-T174 PolarHBondContact O-N 3.27Å; D82-T174 PolarHBondContact OD1-N 2.77Å
83D94.1Very high92.2Very high51 Ų5147.4 Ų47.427%0.27327%0.272SS..  trans-100.822.7175.266.7-21.5000113.1A65 T66 H67A65-D83 WeakPolarHBondContact CA-OD1 3.49Å; A65-D83 VanDerWaalsContact CB-OD1 3.32Å; A65-D83 WeakPolarHBondContact CB-OD1 3.46Å; T66-D83 VanDerWaalsContact N-CG 3.35Å; T66-D83 PolarHBondContact N-OD1 3.3Å; T66-D83 PolarHBondContact N-OD2 2.68Å; T66-D83 VanDerWaalsContact N-OD2 3.16Å; T66-D83 PolarHBondContact OG1-OD2 3.02Å; H67-D83 VanDerWaalsContact N-CG 3.35Å; H67-D83 PolarHBondContact N-OD1 2.95Å; H67-D83 PolarHBondContact N-OD2 2.85Å; H67-D83 PolarHBondContact O-N 3.32Å; H67-D83 VanDerWaalsContact O-OD1 3.08Å
84G90.7Very high91.5Very high2 Ų255 Ų552%0.02131%0.305CS..SBendtrans-74.9-157.9-177.400000114.5D82 G86 H172 G173D82-G84 PolarHBondContact OD1-N 3.25Å; G84-G86 PolarHBondContact O-N 3.02Å; G84-H172 CarbonylContact O-C 3.54Å; G84-H172 VanDerWaalsContact O-CB 3.31Å; G84-H172 WeakPolarHBondContact O-CB 3.42Å; G84-G173 VanDerWaalsContact O-CA 3.27Å; G84-G173 WeakPolarHBondContact O-CA 3.36Å; G84-G173 PolarHBondContact O-N 2.92Å
85R89.9Confident91.1Very high81 Ų8149.6 Ų49.631%0.30628%0.283SS..SBendtrans-73.2-12-177.8-66.1169.2-68.9-172.45114.8E59 F64 Y118 K145E59-R85 IonicContact OE1-CZ 3.87Å; E59-R85 IonicContact OE1-NE 2.74Å; E59-R85 PolarHBondContact OE1-NE 3.33Å; E59-R85 IonicContact OE1-NH2 3.32Å; E59-R85 PolarHBondContact OE1-NH2 2.75Å; E59-R85 WeakPolarHBondContact OE2-CB 3.39Å; E59-R85 WeakPolarHBondContact OE2-CG 3.43Å; E59-R85 IonicContact OE2-CZ 2.99Å; E59-R85 PolarHBondContact OE2-N 3.19Å; E59-R85 IonicContact OE2-NE 3.05Å; E59-R85 PolarHBondContact OE2-NE 2.86Å; E59-R85 IonicContact OE2-NH2 2.75Å; F64-R85 HydrophobicContact CB-CG 3.68Å; F64-R85 HydrophobicContact CD1-CG 3.46Å; F64-R85 VanDerWaalsContact CD1-CG 3.46Å; F64-R85 VanDerWaalsContact CD2-CD 3.46Å; F64-R85 HydrophobicContact CD2-CG 4Å; F64-R85 VanDerWaalsContact CD2-CZ 3.47Å; F64-R85 VanDerWaalsContact CD2-NE 3.3Å; F64-R85 HydrophobicContact CE1-CG 4.06Å; F64-R85 VanDerWaalsContact CG-CD 3.42Å; F64-R85 HydrophobicContact CG-CG 3.42Å; F64-R85 VanDerWaalsContact CG-CG 3.42Å; R85-Y118 PolarHBondContact NH2-OH 2.93Å; R85-K145 PolarHBondContact O-NZ 3.22Å
86G89.4Confident90.8Very high3 Ų347.2 Ų47.23%0.03128%0.282CS..  trans71.8142.3-169.500000113.6G84 K145 G173 T174G84-G86 PolarHBondContact O-N 3.02Å; G86-K145 PolarHBondContact O-NZ 3.1Å; G86-G173 WeakPolarHBondContact CA-O 3.32Å; G86-T174 WeakPolarHBondContact CA-OG1 3.38Å
87I90.4Very high90.8Very high32 Ų3249.5 Ų49.516%0.16429%0.287CS..  trans-54.9138.3176.3-60.9175.1000110.3V89 V100 V103 F104 V143 T174I87-V89 PolarHBondContact O-N 3.41Å; I87-V100 HydrophobicContact CG2-CB 3.94Å; I87-V100 HydrophobicContact CG2-CG2 4.21Å; I87-V103 HydrophobicContact CG2-CG2 4.42Å; I87-F104 HydrophobicContact CD1-CE2 3.7Å; I87-F104 HydrophobicContact CD1-CZ 4.34Å; I87-V143 HydrophobicContact CB-CG2 4.26Å; I87-V143 WeakPolarHBondContact O-CG1 3.36Å; I87-T174 HydrophobicContact CD1-CG2 3.86Å; I87-T174 HydrophobicContact CG1-CG2 4.11Å; I87-T174 PolarHBondContact N-OG1 3.18Å
88P89.9Confident90.6Very high74 Ų7450.1 Ų50.148%0.48129%0.291SS..  trans-58.3132.9177.3-23.633.8000112.8A99 V100P88-A99 HydrophobicContact CB-CB 4.03Å; P88-A99 WeakPolarHBondContact O-CB 3.38Å; P88-V100 PolarHBondContact O-N 2.99Å; P88-V100 VanDerWaalsContact O-N 3.16Å
89V90.9Very high90.2Very high16 Ų1651 Ų5110%0.09730%0.298CS..  trans-100.7-8.7-177.9-63.90000113.4I87 V143 Y150 L163I87-V89 PolarHBondContact O-N 3.41Å; V89-V143 HydrophobicContact CG1-CB 4.19Å; V89-V143 HydrophobicContact CG1-CG1 3.94Å; V89-Y150 HydrophobicContact CB-CD1 4.06Å; V89-Y150 HydrophobicContact CB-CD2 4.46Å; V89-Y150 HydrophobicContact CB-CE1 4.06Å; V89-Y150 HydrophobicContact CB-CE2 4.47Å; V89-Y150 HydrophobicContact CB-CG 4.26Å; V89-Y150 HydrophobicContact CG1-CD1 4.01Å; V89-Y150 HydrophobicContact CG1-CD2 3.8Å; V89-Y150 HydrophobicContact CG1-CE1 4.38Å; V89-Y150 HydrophobicContact CG1-CE2 4.21Å; V89-Y150 HydrophobicContact CG1-CG 3.71Å; V89-Y150 HydrophobicContact CG2-CD1 4.39Å; V89-Y150 HydrophobicContact CG2-CD2 4.42Å; V89-Y150 HydrophobicContact CG2-CE1 3.92Å; V89-Y150 HydrophobicContact CG2-CE2 3.97Å; V89-L163 HydrophobicContact CB-CD2 3.97Å; V89-L163 HydrophobicContact CG1-CD2 4.25Å
90G89.2Confident89.9Confident47 Ų4750.4 Ų50.449%0.48529%0.294SS..SBendtrans-69.3164.617600000113.1A99G90-A99 PolarHBondContact O-N 3.06Å
91I89.7Confident89.7Confident118 Ų11851 Ų5161%0.60530%0.297SS*.BIsolated β-bridgetrans-71129.1177.9-57.2-58.3000110.4P98I91-P98 HydrophobicContact CD1-CG 4.13Å
92Q87.7Confident89.4Confident60 Ų6049.9 Ų49.928%0.2829%0.289SS..PPolyproline II helixtrans-84.4129.8176.9-163.4-81.612.300109.6K94 T95 G96 R97 A99 T102Q92-K94 PolarHBondContact O-N 2.79Å; Q92-K94 VanDerWaalsContact OE1-CA 3.26Å; Q92-T95 PolarHBondContact O-N 2.77Å; Q92-T95 PolarHBondContact OE1-OG1 2.89Å; Q92-G96 WeakPolarHBondContact O-CA 3.32Å; Q92-G96 PolarHBondContact O-N 3.24Å; Q92-R97 PolarHBondContact N-O 3.23Å; Q92-A99 HydrophobicContact CB-CB 4.23Å; Q92-T102 HydrophobicContact CG-CG2 4.4Å
93A82.5Confident89.2Confident107 Ų10750.8 Ų50.888%0.88430%0.295SS*.THydrogen-bonded Turntrans-66.5-29.3-167.100000115.9
94K82.3Confident89.1Confident197 Ų19748.5 Ų48.586%0.85728%0.283SS*.THydrogen-bonded Turntrans-82.1-33.9178.1-65.6-174.8175-179.20113.1Q92Q92-K94 PolarHBondContact O-N 2.79Å; Q92-K94 VanDerWaalsContact OE1-CA 3.26Å
95T84.6Confident89Confident45 Ų4549.8 Ų49.828%0.27629%0.29SS..THydrogen-bonded Turntrans-98.1-22.5-174.764.40000112.4Q92 R97 T102 I106Q92-T95 PolarHBondContact O-N 2.77Å; Q92-T95 PolarHBondContact OE1-OG1 2.89Å; T95-R97 PolarHBondContact O-N 2.98Å; T95-R97 PolarHBondContact OG1-N 3.27Å; T95-T102 HydrophobicContact CG2-CG2 3.7Å; T95-T102 PolarHBondContact OG1-OG1 3.24Å; T95-I106 HydrophobicContact CG2-CD1 3.35Å
96G86.4Confident88.8Confident50 Ų5049.2 Ų49.252%0.51529%0.293SS..SBendtrans68.98.2-175.800000113.8Q92Q92-G96 WeakPolarHBondContact O-CA 3.32Å; Q92-G96 PolarHBondContact O-N 3.24Å
97R90Very high88.5Confident91 Ų9150.9 Ų50.934%0.34330%0.301SS..SBendtrans-116.3162.8-178.7-60.3-68-73.4170.82.5110Q92 T95 E101 D162Q92-R97 PolarHBondContact N-O 3.23Å; T95-R97 PolarHBondContact O-N 2.98Å; T95-R97 PolarHBondContact OG1-N 3.27Å; R97-E101 IonicContact CZ-OE1 2.75Å; R97-E101 IonicContact CZ-OE2 2.9Å; R97-E101 IonicContact NE-OE1 3.32Å; R97-E101 PolarHBondContact NE-OE1 3.03Å; R97-E101 IonicContact NE-OE2 2.95Å; R97-E101 PolarHBondContact NE-OE2 3.16Å; R97-E101 VanDerWaalsContact NH2-CD 3.29Å; R97-E101 IonicContact NH2-OE1 3.3Å; R97-E101 PolarHBondContact NH2-OE1 2.78Å; R97-E101 VanDerWaalsContact NH2-OE1 3.11Å; R97-E101 IonicContact NH2-OE2 2.83Å; R97-E101 PolarHBondContact NH2-OE2 3.47Å; R97-D162 IonicContact CZ-OD1 3.52Å; R97-D162 VanDerWaalsContact CZ-OD1 3.3Å; R97-D162 IonicContact NH1-OD1 3Å; R97-D162 PolarHBondContact NH1-OD1 3.09Å; R97-D162 IonicContact NH2-OD1 3.35Å; R97-D162 PolarHBondContact NH2-OD1 2.88Å
98P91.5Very high88Confident15 Ų1555.2 Ų55.210%0.09732%0.32CS..BIsolated β-bridgetrans-52143.5174.3-26.435.6000111.9I91 V100 E101 T102 L163I91-P98 HydrophobicContact CD1-CG 4.13Å; P98-V100 VanDerWaalsContact C-N 3.26Å; P98-V100 HydrophobicContact CB-CG1 4Å; P98-V100 PolarHBondContact O-N 2.86Å; P98-E101 HydrophobicContact CB-CB 4.36Å; P98-E101 WeakPolarHBondContact O-CB 2.99Å; P98-E101 PolarHBondContact O-N 3.4Å; P98-E101 VanDerWaalsContact O-N 3.14Å; P98-T102 PolarHBondContact O-N 3.27Å; P98-T102 PolarHBondContact O-OG1 3.42Å; P98-L163 HydrophobicContact CB-CB 4.41Å; P98-L163 HydrophobicContact CB-CD2 3.97Å; P98-L163 HydrophobicContact CG-CB 4.08Å; P98-L163 HydrophobicContact CG-CD2 4.37Å
99A90.6Very high87.1Confident17 Ų1752.6 Ų52.614%0.1431%0.305CS..Hα-helixtrans-65.7-32.3-17700000112P88 G90 Q92 T102 V103P88-A99 HydrophobicContact CB-CB 4.03Å; P88-A99 WeakPolarHBondContact O-CB 3.38Å; G90-A99 PolarHBondContact O-N 3.06Å; Q92-A99 HydrophobicContact CB-CB 4.23Å; A99-T102 WeakPolarHBondContact O-CB 3.46Å; A99-T102 PolarHBondContact O-N 2.86Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 3.12Å
100V91.2Very high85.9Confident1 Ų153.4 Ų53.41%0.00632%0.317CS..Hα-helixtrans-57-47.4170.763.90000111.8I87 P88 P98 T102 V103 F104 V141 V143 L163I87-V100 HydrophobicContact CG2-CB 3.94Å; I87-V100 HydrophobicContact CG2-CG2 4.21Å; P88-V100 PolarHBondContact O-N 2.99Å; P88-V100 VanDerWaalsContact O-N 3.16Å; P98-V100 VanDerWaalsContact C-N 3.26Å; P98-V100 HydrophobicContact CB-CG1 4Å; P98-V100 PolarHBondContact O-N 2.86Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.98Å; V100-V103 PolarHBondContact O-N 3.34Å; V100-F104 HydrophobicContact CG2-CD2 4.26Å; V100-F104 HydrophobicContact CG2-CE2 4.37Å; V100-F104 WeakPolarHBondContact O-CD2 3.38Å; V100-F104 PolarHBondContact O-N 3.48Å; V100-V141 HydrophobicContact CG2-CG1 4.07Å; V100-V143 HydrophobicContact CG2-CG2 4.1Å; V100-L163 HydrophobicContact CG1-CD1 3.64Å; V100-L163 HydrophobicContact CG1-CD2 3.78Å; V100-L163 HydrophobicContact CG1-CG 4.25Å
101E92.8Very high84.7Confident14 Ų1453.5 Ų53.57%0.06532%0.317CS..Hα-helixtrans-60.6-44.2175-172.3-178.9129.400111.9R97 P98 V103 F104 T105 Q152 Y154 V159R97-E101 IonicContact CZ-OE1 2.75Å; R97-E101 IonicContact CZ-OE2 2.9Å; R97-E101 IonicContact NE-OE1 3.32Å; R97-E101 PolarHBondContact NE-OE1 3.03Å; R97-E101 IonicContact NE-OE2 2.95Å; R97-E101 PolarHBondContact NE-OE2 3.16Å; R97-E101 VanDerWaalsContact NH2-CD 3.29Å; R97-E101 IonicContact NH2-OE1 3.3Å; R97-E101 PolarHBondContact NH2-OE1 2.78Å; R97-E101 VanDerWaalsContact NH2-OE1 3.11Å; R97-E101 IonicContact NH2-OE2 2.83Å; R97-E101 PolarHBondContact NH2-OE2 3.47Å; P98-E101 HydrophobicContact CB-CB 4.36Å; P98-E101 WeakPolarHBondContact O-CB 2.99Å; P98-E101 PolarHBondContact O-N 3.4Å; P98-E101 VanDerWaalsContact O-N 3.14Å; E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 PolarHBondContact O-N 2.73Å; E101-F104 PolarHBondContact O-N 3.47Å; E101-T105 HydrophobicContact CG-CG2 4.14Å; E101-T105 WeakPolarHBondContact O-CB 3.09Å; E101-T105 WeakPolarHBondContact O-CG2 3.22Å; E101-T105 PolarHBondContact O-N 2.91Å; E101-T105 PolarHBondContact O-OG1 2.91Å; E101-Q152 PolarHBondContact OE2-NE2 2.75Å; E101-Y154 WeakPolarHBondContact CA-OH 3.34Å; E101-V159 HydrophobicContact CG-CG2 3.63Å
102T89.9Confident83.3Confident7 Ų750.5 Ų50.54%0.04330%0.3CS..Hα-helixtrans-58.3-41.6178.3-610000111.9Q92 T95 P98 A99 V100 I106 A109Q92-T102 HydrophobicContact CG-CG2 4.4Å; T95-T102 HydrophobicContact CG2-CG2 3.7Å; T95-T102 PolarHBondContact OG1-OG1 3.24Å; P98-T102 PolarHBondContact O-N 3.27Å; P98-T102 PolarHBondContact O-OG1 3.42Å; A99-T102 WeakPolarHBondContact O-CB 3.46Å; A99-T102 PolarHBondContact O-N 2.86Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.98Å; T102-I106 HydrophobicContact CG2-CD1 4.1Å; T102-I106 WeakPolarHBondContact O-CB 3.47Å; T102-I106 PolarHBondContact O-N 2.93Å; T102-I106 VanDerWaalsContact O-N 3.08Å; T102-A109 HydrophobicContact CG2-CB 3.79Å; T102-A109 WeakPolarHBondContact O-CB 3.5Å
103V89.3Confident81.8Confident38 Ų3853.6 Ų53.623%0.2331%0.313CS..Hα-helixtrans-65.6-37.5179.3168.60000112.4I87 A99 V100 E101 A129I87-V103 HydrophobicContact CG2-CG2 4.42Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 3.12Å; V100-V103 PolarHBondContact O-N 3.34Å; E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 PolarHBondContact O-N 2.73Å; V103-A129 HydrophobicContact CG1-CB 3.87Å
104F91.6Very high80.3Confident3 Ų351.9 Ų51.91%0.01331%0.305CS..Hα-helixtrans-91.2-9.3-177.2-77.7-82.1000114.4I52 I87 V100 E101 A129 S130 N133 L139 V141 Y154 V176I52-F104 HydrophobicContact CD1-CE1 4.41Å; I87-F104 HydrophobicContact CD1-CE2 3.7Å; I87-F104 HydrophobicContact CD1-CZ 4.34Å; V100-F104 HydrophobicContact CG2-CD2 4.26Å; V100-F104 HydrophobicContact CG2-CE2 4.37Å; V100-F104 WeakPolarHBondContact O-CD2 3.38Å; V100-F104 PolarHBondContact O-N 3.48Å; E101-F104 PolarHBondContact O-N 3.47Å; F104-A129 HydrophobicContact CD1-CB 3.96Å; F104-A129 HydrophobicContact CE1-CB 3.81Å; F104-A129 HydrophobicContact CZ-CB 4.22Å; F104-S130 WeakPolarHBondContact O-CA 3.32Å; F104-N133 HydrophobicContact CD1-CB 4.34Å; F104-N133 WeakPolarHBondContact O-CB 3.15Å; F104-N133 PolarHBondContact O-ND2 2.82Å; F104-L139 HydrophobicContact CD1-CD1 4.12Å; F104-L139 HydrophobicContact CD1-CD2 3.79Å; F104-L139 HydrophobicContact CE1-CD1 4.05Å; F104-L139 HydrophobicContact CE1-CD2 3.87Å; F104-L139 HydrophobicContact CG-CD2 4.45Å; F104-V141 HydrophobicContact CD1-CG2 4.35Å; F104-V141 HydrophobicContact CD2-CG2 3.88Å; F104-V141 HydrophobicContact CE1-CG2 3.97Å; F104-V141 HydrophobicContact CE2-CB 4.33Å; F104-V141 HydrophobicContact CE2-CG1 3.99Å; F104-V141 HydrophobicContact CE2-CG2 3.47Å; F104-V141 VanDerWaalsContact CE2-CG2 3.47Å; F104-V141 HydrophobicContact CG-CG2 4.32Å; F104-V141 HydrophobicContact CZ-CG1 4.37Å; F104-V141 HydrophobicContact CZ-CG2 3.51Å; F104-Y154 HydrophobicContact CB-CE1 4Å; F104-Y154 HydrophobicContact CB-CE2 4.15Å; F104-Y154 HydrophobicContact CG-CE2 4.33Å; F104-V176 HydrophobicContact CE1-CG1 4.13Å; F104-V176 HydrophobicContact CE1-CG2 4.49Å; F104-V176 HydrophobicContact CZ-CG1 4.24Å; F104-V176 HydrophobicContact CZ-CG2 3.81Å
105T88.8Confident78.5Confident29 Ų2946.6 Ų46.618%0.17831%0.306CS..Hα-helixtrans-121.2-23.2-174.659.70000114.5E101 Y154 V159E101-T105 HydrophobicContact CG-CG2 4.14Å; E101-T105 WeakPolarHBondContact O-CB 3.09Å; E101-T105 WeakPolarHBondContact O-CG2 3.22Å; E101-T105 PolarHBondContact O-N 2.91Å; E101-T105 PolarHBondContact O-OG1 2.91Å; T105-Y154 HydrophobicContact CG2-CD1 4.13Å; T105-Y154 HydrophobicContact CG2-CE1 3.78Å; T105-V159 HydrophobicContact CG2-CG2 3.86Å
106I86.8Confident76.8Confident70 Ų7048 Ų4836%0.35933%0.331SS..SBendtrans-111.5118.9-174.7-66.4169.3000109.5T95 T102 A109T95-I106 HydrophobicContact CG2-CD1 3.35Å; T102-I106 HydrophobicContact CG2-CD1 4.1Å; T102-I106 WeakPolarHBondContact O-CB 3.47Å; T102-I106 PolarHBondContact O-N 2.93Å; T102-I106 VanDerWaalsContact O-N 3.08Å; I106-A109 HydrophobicContact CB-CB 4.18Å; I106-A109 HydrophobicContact CG2-CB 4.21Å; I106-A109 VanDerWaalsContact O-CB 3.27Å; I106-A109 WeakPolarHBondContact O-CB 3.36Å; I106-A109 PolarHBondContact O-N 2.73Å
107L83.3Confident75.1Confident38 Ų3847.1 Ų47.120%0.19932%0.321CS..THydrogen-bonded Turntrans-59.4141.7170.2-61169.6000109.5L26 V29 A109 V127 S130 V131L26-L107 HydrophobicContact CD2-CD2 3.78Å; L26-L107 HydrophobicContact CD2-CG 3.89Å; V29-L107 HydrophobicContact CG2-CD1 4.12Å; V29-L107 HydrophobicContact CG2-CD2 3.84Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 2.81Å; L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD2-CG1 3.28Å; L107-V127 HydrophobicContact CG-CG1 4.4Å; L107-S130 WeakPolarHBondContact CD2-OG 3.33Å; L107-V131 HydrophobicContact CD2-CG2 4.32Å
108H80.1Confident73.3Confident122 Ų12246.1 Ų46.157%0.56532%0.318SS*.THydrogen-bonded Turntrans6725.4-177.6-47.6-65.1000114.6F113 H125 G126H108-F113 VanDerWaalsContact O-CE2 3.29Å; H108-F113 WeakPolarHBondContact O-CE2 3.07Å; H108-H125 WeakPolarHBondContact CA-O 3.33Å; H108-H125 PolarHBondContact ND1-O 3.48Å; H108-G126 CarbonylContact C-O 3.53Å; H108-G126 WeakPolarHBondContact CA-O 3.38Å; H108-G126 PolarHBondContact N-O 3.07Å
109A69.2Low71.5Confident19 Ų1954.8 Ų54.816%0.15735%0.354CS..  trans-98.2114.5169.200000110.7T102 I106 L107 G126T102-A109 HydrophobicContact CG2-CB 3.79Å; T102-A109 WeakPolarHBondContact O-CB 3.5Å; I106-A109 HydrophobicContact CB-CB 4.18Å; I106-A109 HydrophobicContact CG2-CB 4.21Å; I106-A109 VanDerWaalsContact O-CB 3.27Å; I106-A109 WeakPolarHBondContact O-CB 3.36Å; I106-A109 PolarHBondContact O-N 2.73Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 2.81Å; A109-G126 PolarHBondContact N-O 3.4Å; A109-G126 VanDerWaalsContact N-O 3.15Å
110G67.7Low69.8Low34 Ų3455.4 Ų55.435%0.35136%0.356SS..SBendtrans-167.8160.5177.400000113.3K112 F113G110-K112 PolarHBondContact O-N 2.88Å; G110-F113 WeakPolarHBondContact O-CD2 3.25Å
111G63.9Low68.1Low48 Ų4855.8 Ų55.850%0.49536%0.359SS..THydrogen-bonded Turntrans-70.82.8-176.400000116
112K60Low66.3Low56 Ų5655.4 Ų55.424%0.24336%0.358CS..THydrogen-bonded Turntrans-93.8-20.9-169.5-64.5164.2-162.9173.90113.3D58 G110 G114 Y118 S121 G123D58-K112 VanDerWaalsContact OD2-CE 3.31Å; D58-K112 WeakPolarHBondContact OD2-CE 3.22Å; D58-K112 IonicContact OD2-NZ 3.83Å; D58-K112 PolarHBondContact OD2-NZ 3.02Å; G110-K112 PolarHBondContact O-N 2.88Å; K112-G114 VanDerWaalsContact C-N 3.26Å; K112-G114 PolarHBondContact O-N 3.11Å; K112-Y118 HydrophobicContact CG-CD2 4.13Å; K112-S121 WeakPolarHBondContact CE-OG 3.49Å; K112-S121 PolarHBondContact NZ-OG 3.27Å; K112-G123 WeakPolarHBondContact CD-O 3.45Å; K112-G123 WeakPolarHBondContact CE-O 3.08Å; K112-G123 VanDerWaalsContact NZ-CA 3.27Å; K112-G123 PolarHBondContact NZ-O 2.9Å
113F56Low64.7Low125 Ų12555.5 Ų55.555%0.54836%0.361SS..THydrogen-bonded Turntrans-79.74.4-174.5-56.7-69.5000115.3H108 G110 H125H108-F113 VanDerWaalsContact O-CE2 3.29Å; H108-F113 WeakPolarHBondContact O-CE2 3.07Å; G110-F113 WeakPolarHBondContact O-CD2 3.25Å; F113-H125 WeakPolarHBondContact CZ-O 3.15Å
114G49.7Very low63.2Low71 Ų7155.8 Ų55.873%0.73236%0.361SS*.THydrogen-bonded Turntrans-122.97.4-173.200000116.2K112 G116K112-G114 VanDerWaalsContact C-N 3.26Å; K112-G114 PolarHBondContact O-N 3.11Å; G114-G116 PolarHBondContact O-N 3.49Å; G114-G116 VanDerWaalsContact O-N 3.14Å
115G46.3Very low61.8Low85 Ų8559.5 Ų59.588%0.87638%0.378SS*.SBendtrans69.63.5174.900000117.2
116G47.9Very low60.4Low76 Ų7659 Ų5978%0.78438%0.379SS*.SBendtrans-130-5.6-174.800000117.2G114G114-G116 PolarHBondContact O-N 3.49Å; G114-G116 VanDerWaalsContact O-N 3.14Å
117G50.2Low59.9Low31 Ų3156.9 Ų56.932%0.3237%0.369SS..SBendtrans-90-39.2-172.200000115.5
118Y53.1Low59.8Low69 Ų6955.5 Ų55.527%0.27136%0.364SS..  trans-149.2136.5-175.8-62.3-82.8000109.7D58 E59 A62 R85 K112D58-Y118 HydrophobicContact CB-CD1 4.05Å; D58-Y118 HydrophobicContact CB-CE1 3.76Å; D58-Y118 VanDerWaalsContact O-CE1 3.3Å; D58-Y118 WeakPolarHBondContact O-CE1 3.37Å; E59-Y118 PolarHBondContact OE1-OH 2.73Å; A62-Y118 HydrophobicContact CB-CD1 4.07Å; A62-Y118 HydrophobicContact CB-CE1 4.06Å; R85-Y118 PolarHBondContact NH2-OH 2.93Å; K112-Y118 HydrophobicContact CG-CD2 4.13Å
119K53.7Low60.2Low197 Ų19750 Ų5086%0.85734%0.34SS*.SBendtrans-78.7-36.4176.2-83.7-171.3174-171.50113.1
120V54.2Low61.2Low30 Ų3049.1 Ų49.118%0.18233%0.332CS..SBendtrans-144141.2179.2-178.70000107.9N282 K337V120-N282 VanDerWaalsContact CG1-OD1 3.28Å; V120-N282 WeakPolarHBondContact CG1-OD1 3.27Å; V120-K337 HydrophobicContact CG1-CB 4.04Å; V120-K337 HydrophobicContact CG2-CB 4.36Å
121S56.1Low62.3Low10 Ų1047.8 Ų47.87%0.0732%0.317CS..  trans-153.4150.8179.8175.80000113.6D58 K112 G123 N282D58-S121 WeakPolarHBondContact OD1-CA 3.35Å; D58-S121 VanDerWaalsContact OD1-CB 3.27Å; D58-S121 WeakPolarHBondContact OD1-CB 3.16Å; D58-S121 PolarHBondContact OD1-OG 3Å; D58-S121 PolarHBondContact OD2-OG 2.92Å; K112-S121 WeakPolarHBondContact CE-OG 3.49Å; K112-S121 PolarHBondContact NZ-OG 3.27Å; S121-G123 PolarHBondContact OG-N 2.91Å; S121-G123 VanDerWaalsContact OG-N 3.13Å; S121-N282 PolarHBondContact O-ND2 2.96Å
122G54Low63.7Low5 Ų545.5 Ų45.55%0.05229%0.294CS..SBendtrans-78.4-28.3170.200000114.5L124G122-L124 PolarHBondContact O-N 2.93Å
123G57.4Low65.4Low10 Ų1042.8 Ų42.810%0.10328%0.282CS..  trans-88.491.4-177.400000113.5K112 S121K112-G123 WeakPolarHBondContact CD-O 3.45Å; K112-G123 WeakPolarHBondContact CE-O 3.08Å; K112-G123 VanDerWaalsContact NZ-CA 3.27Å; K112-G123 PolarHBondContact NZ-O 2.9Å; S121-G123 PolarHBondContact OG-N 2.91Å; S121-G123 VanDerWaalsContact OG-N 3.13Å
124L56.6Low67.1Low44 Ų4436.9 Ų36.923%0.2326%0.256CS..  trans-78.4-25.2-168.1-62.9165.4000116.2G122 P341 F343G122-L124 PolarHBondContact O-N 2.93Å; L124-P341 HydrophobicContact CD1-CG 3.99Å; L124-P341 HydrophobicContact CD2-CG 3.49Å; L124-P341 VanDerWaalsContact CD2-CG 3.49Å; L124-P341 HydrophobicContact CG-CG 4.29Å; L124-F343 HydrophobicContact CD1-CD2 4.07Å; L124-F343 HydrophobicContact CD1-CE2 3.93Å
125H62.1Low69.2Low81 Ų8133.5 Ų33.538%0.37522%0.221SC..SBendtrans-118.5-5-161.5-60.1111000114.7H108 F113 V127H108-H125 WeakPolarHBondContact CA-O 3.33Å; H108-H125 PolarHBondContact ND1-O 3.48Å; F113-H125 WeakPolarHBondContact CZ-O 3.15Å; H125-V127 HydrophobicContact CB-CG2 3.39Å; H125-V127 VanDerWaalsContact O-CG2 3.29Å; H125-V127 WeakPolarHBondContact O-CG2 3.41Å
126G60.8Low71.5Confident19 Ų1929.4 Ų29.420%0.19618%0.18CC..SBendtrans6436.5-178.900000114.2H108 A109H108-G126 CarbonylContact C-O 3.53Å; H108-G126 WeakPolarHBondContact CA-O 3.38Å; H108-G126 PolarHBondContact N-O 3.07Å; A109-G126 PolarHBondContact N-O 3.4Å; A109-G126 VanDerWaalsContact N-O 3.15Å
127V75.9Confident73.8Confident24 Ų2428 Ų2815%0.14516%0.156CC..  trans-113.9-30.3-172.3-149.30000111.8Y36 L107 H125 S130 V131Y36-V127 HydrophobicContact CD1-CG1 4.24Å; Y36-V127 HydrophobicContact CE1-CG1 4.47Å; L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD2-CG1 3.28Å; L107-V127 HydrophobicContact CG-CG1 4.4Å; H125-V127 HydrophobicContact CB-CG2 3.39Å; H125-V127 VanDerWaalsContact O-CG2 3.29Å; H125-V127 WeakPolarHBondContact O-CG2 3.41Å; V127-S130 PolarHBondContact O-N 2.76Å; V127-S130 PolarHBondContact O-OG 2.82Å; V127-V131 HydrophobicContact CB-CG2 4.41Å; V127-V131 HydrophobicContact CG1-CG2 3.72Å; V127-V131 WeakPolarHBondContact O-CG2 3.11Å; V127-V131 PolarHBondContact O-N 2.81Å
128G80.8Confident75.9Confident9 Ų928 Ų289%0.09315%0.15CC..Hα-helixtrans-46.6-68.4-171.200000116E51 S130 V131 V132E51-G128 WeakPolarHBondContact OE2-CA 3.19Å; G128-S130 PolarHBondContact O-N 3.07Å; G128-V131 WeakPolarHBondContact O-CA 3.45Å; G128-V131 WeakPolarHBondContact O-CB 3.31Å; G128-V131 PolarHBondContact O-N 2.98Å; G128-V132 WeakPolarHBondContact O-CG2 3.4Å; G128-V132 PolarHBondContact O-N 3.35Å
129A88.8Confident78Confident7 Ų724.7 Ų24.76%0.05814%0.138CC..Hα-helixtrans-55.4-39.2-176.800000113I52 V103 F104 V132 N133I52-A129 HydrophobicContact CD1-CB 4.48Å; V103-A129 HydrophobicContact CG1-CB 3.87Å; F104-A129 HydrophobicContact CD1-CB 3.96Å; F104-A129 HydrophobicContact CE1-CB 3.81Å; F104-A129 HydrophobicContact CZ-CB 4.22Å; A129-V132 PolarHBondContact O-N 3.37Å; A129-N133 PolarHBondContact O-N 3.47Å
130S90.7Very high80Confident0 Ų016.2 Ų16.20%010%0.102CC..Hα-helixtrans-70-31.7176.767.50000113.6F104 L107 V127 G128 A134F104-S130 WeakPolarHBondContact O-CA 3.32Å; L107-S130 WeakPolarHBondContact CD2-OG 3.33Å; V127-S130 PolarHBondContact O-N 2.76Å; V127-S130 PolarHBondContact O-OG 2.82Å; G128-S130 PolarHBondContact O-N 3.07Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.97Å
131V91Very high82Confident6 Ų614.8 Ų14.84%0.0369%0.093CC..Hα-helixtrans-70.6-42.4173.4169.40000110.7V29 Y36 I37 L107 V127 G128 N133 A134 L135V29-V131 HydrophobicContact CG1-CB 4.24Å; V29-V131 HydrophobicContact CG1-CG1 3.92Å; V29-V131 HydrophobicContact CG1-CG2 3.92Å; V29-V131 HydrophobicContact CG2-CG2 4.28Å; Y36-V131 HydrophobicContact CD1-CG2 4Å; Y36-V131 HydrophobicContact CG-CG2 4.28Å; I37-V131 HydrophobicContact CG2-CG1 3.63Å; L107-V131 HydrophobicContact CD2-CG2 4.32Å; V127-V131 HydrophobicContact CB-CG2 4.41Å; V127-V131 HydrophobicContact CG1-CG2 3.72Å; V127-V131 WeakPolarHBondContact O-CG2 3.11Å; V127-V131 PolarHBondContact O-N 2.81Å; G128-V131 WeakPolarHBondContact O-CA 3.45Å; G128-V131 WeakPolarHBondContact O-CB 3.31Å; G128-V131 PolarHBondContact O-N 2.98Å; V131-N133 VanDerWaalsContact C-N 3.3Å; V131-N133 PolarHBondContact O-N 2.74Å; V131-A134 PolarHBondContact O-N 2.63Å; V131-L135 HydrophobicContact CG1-CD1 3.83Å; V131-L135 HydrophobicContact CG1-CG 4.27Å; V131-L135 WeakPolarHBondContact O-CB 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 3.01Å
132V93.1Very high83.9Confident0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-58.6-45.6174.6-178.90000110.4L48 E51 I52 G128 A129 L135 S136 L139 F178L48-V132 HydrophobicContact CB-CG1 4.49Å; L48-V132 HydrophobicContact CB-CG2 4.29Å; L48-V132 HydrophobicContact CD2-CG2 4.2Å; L48-V132 WeakPolarHBondContact O-CG2 3.3Å; E51-V132 HydrophobicContact CB-CG2 3.87Å; I52-V132 HydrophobicContact CD1-CB 4.09Å; I52-V132 HydrophobicContact CD1-CG1 4.17Å; I52-V132 HydrophobicContact CD1-CG2 3.92Å; I52-V132 HydrophobicContact CG1-CB 4.47Å; I52-V132 HydrophobicContact CG1-CG1 4.15Å; I52-V132 HydrophobicContact CG1-CG2 4.08Å; G128-V132 WeakPolarHBondContact O-CG2 3.4Å; G128-V132 PolarHBondContact O-N 3.35Å; A129-V132 PolarHBondContact O-N 3.37Å; V132-L135 PolarHBondContact O-N 2.8Å; V132-S136 VanDerWaalsContact O-CB 3.31Å; V132-S136 WeakPolarHBondContact O-CB 3.12Å; V132-S136 PolarHBondContact O-N 3.29Å; V132-S136 PolarHBondContact O-OG 3.42Å; V132-L139 HydrophobicContact CB-CD1 4.46Å; V132-L139 HydrophobicContact CG1-CD1 3.91Å; V132-F178 HydrophobicContact CG1-CB 4.31Å; V132-F178 HydrophobicContact CG1-CD1 3.96Å; V132-F178 HydrophobicContact CG1-CD2 3.94Å; V132-F178 HydrophobicContact CG1-CE1 4.21Å; V132-F178 HydrophobicContact CG1-CE2 4.21Å; V132-F178 HydrophobicContact CG1-CG 3.81Å; V132-F178 HydrophobicContact CG1-CZ 4.33Å
133N94.5Very high85.9Confident0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-61.4-44.8174.8-170.417.1000112.6F104 A129 V131 L135 S136 L139 Y154 G157F104-N133 HydrophobicContact CD1-CB 4.34Å; F104-N133 WeakPolarHBondContact O-CB 3.15Å; F104-N133 PolarHBondContact O-ND2 2.82Å; A129-N133 PolarHBondContact O-N 3.47Å; V131-N133 VanDerWaalsContact C-N 3.3Å; V131-N133 PolarHBondContact O-N 2.74Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.86Å; N133-S136 PolarHBondContact O-N 2.79Å; N133-L139 HydrophobicContact CB-CD1 4.05Å; N133-Y154 VanDerWaalsContact ND2-CD1 3.33Å; N133-Y154 WeakPolarHBondContact ND2-CD1 3.23Å; N133-Y154 WeakPolarHBondContact OD1-CB 3.39Å; N133-G157 PolarHBondContact ND2-O 3.33Å; N133-G157 PolarHBondContact O-N 2.91Å; N133-G157 VanDerWaalsContact O-N 3.09Å
134A92.6Very high87.7Confident0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-61.2-36.9178.900000112.8L26 V29 R30 S130 V131L26-A134 HydrophobicContact CB-CB 4Å; L26-A134 HydrophobicContact CD1-CB 4.16Å; L26-A134 HydrophobicContact CD2-CB 4.26Å; L26-A134 HydrophobicContact CG-CB 4.37Å; V29-A134 HydrophobicContact CB-CB 4.06Å; V29-A134 HydrophobicContact CG1-CB 3.93Å; R30-A134 VanDerWaalsContact CD-O 3.29Å; R30-A134 WeakPolarHBondContact CD-O 3.23Å; R30-A134 HydrophobicContact CG-CB 4.25Å; R30-A134 WeakPolarHBondContact CG-O 3.44Å; R30-A134 PolarHBondContact NH1-O 2.66Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.97Å; V131-A134 PolarHBondContact O-N 2.63Å
135L94.4Very high89.3Confident0 Ų019.3 Ų19.30%010%0.103CC..THydrogen-bonded Turntrans-97.212.6-175.5-56.3-174.6000113.6V29 R30 P33 I37 L48 V131 V132 N133 D181 I184 F185V29-L135 HydrophobicContact CG1-CD1 4.43Å; V29-L135 HydrophobicContact CG1-CD2 4.05Å; V29-L135 HydrophobicContact CG1-CG 4.14Å; R30-L135 HydrophobicContact CG-CD2 4.34Å; P33-L135 HydrophobicContact CB-CD1 3.99Å; P33-L135 HydrophobicContact CB-CD2 3.93Å; I37-L135 HydrophobicContact CD1-CD1 3.52Å; I37-L135 HydrophobicContact CG1-CD1 3.92Å; I37-L135 HydrophobicContact CG2-CD1 4.08Å; L48-L135 HydrophobicContact CD1-CB 4.44Å; L48-L135 HydrophobicContact CD2-CB 4.3Å; L48-L135 HydrophobicContact CD2-CD1 4.14Å; V131-L135 HydrophobicContact CG1-CD1 3.83Å; V131-L135 HydrophobicContact CG1-CG 4.27Å; V131-L135 WeakPolarHBondContact O-CB 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 3.01Å; V132-L135 PolarHBondContact O-N 2.8Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.86Å; L135-D181 WeakPolarHBondContact O-CB 3.47Å; L135-D181 PolarHBondContact O-N 3.49Å; L135-I184 HydrophobicContact CD2-CG1 4.28Å; L135-I184 HydrophobicContact CD2-CG2 4.24Å; L135-F185 HydrophobicContact CB-CE2 4.22Å
136S94.6Very high90.6Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-110143.3175.7-61.80000111.1V132 N133 S138 R156 I179V132-S136 VanDerWaalsContact O-CB 3.31Å; V132-S136 WeakPolarHBondContact O-CB 3.12Å; V132-S136 PolarHBondContact O-N 3.29Å; V132-S136 PolarHBondContact O-OG 3.42Å; N133-S136 PolarHBondContact O-N 2.79Å; S136-S138 VanDerWaalsContact C-N 3.33Å; S136-R156 VanDerWaalsContact O-CA 3.31Å; S136-R156 WeakPolarHBondContact O-CA 3.35Å; S136-R156 PolarHBondContact O-N 2.93Å; S136-I179 CarbonylContact C-O 3.56Å; S136-I179 WeakPolarHBondContact CA-O 3.25Å; S136-I179 WeakPolarHBondContact CB-O 3.12Å
137T95.3Very high91.9Very high47 Ų4722.7 Ų22.729%0.28812%0.124SC..EExtended strand (participates in β ladder)trans-64.7-43.2168.2-67.30000110.4R155 R156 I179 D181 P182T137-R155 WeakPolarHBondContact O-CA 3.46Å; T137-R156 PolarHBondContact O-N 3.34Å; T137-R156 VanDerWaalsContact O-N 3.16Å; T137-I179 PolarHBondContact N-O 2.8Å; T137-D181 WeakPolarHBondContact OG1-CA 3.45Å; T137-D181 PolarHBondContact OG1-OD1 2.96Å; T137-P182 WeakPolarHBondContact OG1-CD 3.41Å
138S95Very high92.8Very high29 Ų2926 Ų2620%0.20314%0.136CC..EExtended strand (participates in β ladder)trans-141.8146174.454.20000110.7S136 Y154 F178 I179S136-S138 VanDerWaalsContact C-N 3.33Å; S138-Y154 CarbonylContact C-O 3.57Å; S138-Y154 VanDerWaalsContact CA-O 3.31Å; S138-Y154 WeakPolarHBondContact CA-O 3.43Å; S138-F178 WeakPolarHBondContact O-CA 3.44Å; S138-I179 PolarHBondContact O-N 3.36Å; S138-I179 WeakPolarHBondContact OG-CD1 3.49Å; S138-I179 WeakPolarHBondContact OG-CG1 3.5Å
139L96.5Very high93.5Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-142.4131.1173.1179.4153.2000108.1F104 V132 N133 V141 Y154 V176 H177 F178F104-L139 HydrophobicContact CD1-CD1 4.12Å; F104-L139 HydrophobicContact CD1-CD2 3.79Å; F104-L139 HydrophobicContact CE1-CD1 4.05Å; F104-L139 HydrophobicContact CE1-CD2 3.87Å; F104-L139 HydrophobicContact CG-CD2 4.45Å; V132-L139 HydrophobicContact CB-CD1 4.46Å; V132-L139 HydrophobicContact CG1-CD1 3.91Å; N133-L139 HydrophobicContact CB-CD1 4.05Å; L139-V141 HydrophobicContact CD2-CG2 3.48Å; L139-V141 VanDerWaalsContact CD2-CG2 3.48Å; L139-Y154 HydrophobicContact CD2-CD2 3.52Å; L139-Y154 HydrophobicContact CD2-CE2 4.03Å; L139-Y154 HydrophobicContact CD2-CG 4.37Å; L139-Y154 PolarHBondContact N-O 3.31Å; L139-Y154 WeakPolarHBondContact O-CA 3.45Å; L139-Y154 WeakPolarHBondContact O-CB 3.34Å; L139-Y154 WeakPolarHBondContact O-CD2 3.36Å; L139-Y154 PolarHBondContact O-N 3.43Å; L139-V176 HydrophobicContact CD1-CG1 4.16Å; L139-V176 HydrophobicContact CD2-CG1 4.37Å; L139-V176 HydrophobicContact CG-CG1 4.22Å; L139-H177 CarbonylContact C-O 3.12Å; L139-H177 VanDerWaalsContact CA-O 3.25Å; L139-H177 WeakPolarHBondContact CA-O 3.34Å; L139-F178 HydrophobicContact CB-CB 4.12Å; L139-F178 HydrophobicContact CD1-CB 3.94Å; L139-F178 HydrophobicContact CG-CB 4.02Å
140D95.9Very high93.9Very high19 Ų1927.9 Ų27.910%0.10214%0.141CC..EExtended strand (participates in β ladder)trans-122.7147.2171.174.794.8000111.9R142 F151 Q152 H177D140-R142 IonicContact OD1-CZ 3.69Å; D140-R142 VanDerWaalsContact OD1-CZ 3.24Å; D140-R142 IonicContact OD1-NE 3.64Å; D140-R142 IonicContact OD1-NH1 3.91Å; D140-R142 PolarHBondContact OD1-NH1 3.32Å; D140-R142 IonicContact OD1-NH2 2.68Å; D140-R142 PolarHBondContact OD1-NH2 2.79Å; D140-F151 HydrophobicContact CB-CE2 3.67Å; D140-F151 HydrophobicContact CB-CZ 3.93Å; D140-Q152 WeakPolarHBondContact CA-O 3.4Å; D140-H177 PolarHBondContact N-O 2.91Å; D140-H177 PolarHBondContact O-N 3.23Å; D140-H177 WeakPolarHBondContact OD2-CB 3.47Å; D140-H177 IonicContact OD2-CD2 3.24Å; D140-H177 PolarHBondContact OD2-CD2 2.85Å; D140-H177 IonicContact OD2-CG 2.85Å
141V96.2Very high94.1Very high1 Ų130.2 Ų30.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-127126.1-177.7-174.20000109V100 F104 L139 V143 F151 Q152 Y154 T174 T175 V176V100-V141 HydrophobicContact CG2-CG1 4.07Å; F104-V141 HydrophobicContact CD1-CG2 4.35Å; F104-V141 HydrophobicContact CD2-CG2 3.88Å; F104-V141 HydrophobicContact CE1-CG2 3.97Å; F104-V141 HydrophobicContact CE2-CB 4.33Å; F104-V141 HydrophobicContact CE2-CG1 3.99Å; F104-V141 HydrophobicContact CE2-CG2 3.47Å; F104-V141 VanDerWaalsContact CE2-CG2 3.47Å; F104-V141 HydrophobicContact CG-CG2 4.32Å; F104-V141 HydrophobicContact CZ-CG1 4.37Å; F104-V141 HydrophobicContact CZ-CG2 3.51Å; L139-V141 HydrophobicContact CD2-CG2 3.48Å; L139-V141 VanDerWaalsContact CD2-CG2 3.48Å; V141-V143 HydrophobicContact CG1-CG2 3.95Å; V141-F151 WeakPolarHBondContact O-CA 3.01Å; V141-Q152 PolarHBondContact N-O 3.1Å; V141-Q152 PolarHBondContact O-N 3Å; V141-Y154 HydrophobicContact CG2-CE2 3.95Å; V141-T174 HydrophobicContact CG1-CG2 3.95Å; V141-T175 CarbonylContact C-O 3.55Å; V141-T175 WeakPolarHBondContact CA-O 3.06Å; V141-V176 HydrophobicContact CG1-CG2 4.42Å; V141-V176 HydrophobicContact CG2-CG2 4.48Å
142R96.3Very high94.3Very high86 Ų8630 Ų3033%0.32515%0.15SC..EExtended strand (participates in β ladder)trans-108.8123168.9-63.9173.7-166.498.612.2109.1D140 F144 Y150 F151 T174 T175D140-R142 IonicContact OD1-CZ 3.69Å; D140-R142 VanDerWaalsContact OD1-CZ 3.24Å; D140-R142 IonicContact OD1-NE 3.64Å; D140-R142 IonicContact OD1-NH1 3.91Å; D140-R142 PolarHBondContact OD1-NH1 3.32Å; D140-R142 IonicContact OD1-NH2 2.68Å; D140-R142 PolarHBondContact OD1-NH2 2.79Å; R142-F144 HydrophobicContact CB-CE2 4.12Å; R142-F144 HydrophobicContact CB-CZ 4.19Å; R142-Y150 CarbonylContact C-O 3.5Å; R142-Y150 VanDerWaalsContact CA-O 3.24Å; R142-Y150 WeakPolarHBondContact CA-O 3.48Å; R142-F151 HydrophobicContact CG-CD2 3.82Å; R142-F151 HydrophobicContact CG-CE2 4.49Å; R142-T174 CarbonylContact O-C 3.6Å; R142-T174 WeakPolarHBondContact O-CA 3.5Å; R142-T175 PolarHBondContact N-O 2.88Å; R142-T175 PolarHBondContact O-N 2.97Å
143V95.8Very high94.4Very high1 Ų131.6 Ų31.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-112.5124.9176.5-176.30000109.1I87 V89 V100 V141 K145 Y150 T174I87-V143 HydrophobicContact CB-CG2 4.26Å; I87-V143 WeakPolarHBondContact O-CG1 3.36Å; V89-V143 HydrophobicContact CG1-CB 4.19Å; V89-V143 HydrophobicContact CG1-CG1 3.94Å; V100-V143 HydrophobicContact CG2-CG2 4.1Å; V141-V143 HydrophobicContact CG1-CG2 3.95Å; V143-K145 HydrophobicContact CG1-CB 4.08Å; V143-Y150 PolarHBondContact N-O 2.99Å; V143-Y150 PolarHBondContact O-N 2.89Å; V143-T174 HydrophobicContact CG2-CG2 4.39Å
144F94.9Very high94.5Very high34 Ų3431.6 Ų31.615%0.14916%0.158CC..EExtended strand (participates in β ladder)trans-100.8102.2178-53.2-94.1000108.3R142 I149 T169 K171 H172 G173R142-F144 HydrophobicContact CB-CE2 4.12Å; R142-F144 HydrophobicContact CB-CZ 4.19Å; F144-I149 HydrophobicContact CD1-CD1 4.47Å; F144-I149 HydrophobicContact CD1-CG1 3.96Å; F144-I149 HydrophobicContact CD1-CG2 4.29Å; F144-I149 HydrophobicContact CE1-CD1 4.18Å; F144-I149 HydrophobicContact CE1-CG1 4.09Å; F144-I149 HydrophobicContact CE1-CG2 4.01Å; F144-T169 HydrophobicContact CB-CG2 4.04Å; F144-T169 HydrophobicContact CD1-CG2 3.95Å; F144-K171 WeakPolarHBondContact CB-O 3.38Å; F144-H172 WeakPolarHBondContact O-CA 3.44Å; F144-G173 PolarHBondContact N-O 3.12Å; F144-G173 PolarHBondContact O-N 3.03Å
145K91.4Very high94.5Very high43 Ų4339.2 Ų39.219%0.18719%0.187CC..EExtended strand (participates in β ladder)trans-154.4148.6-172.4-165.3162.3-169.7148.30110.5R85 G86 V143 G147 K148 Y150R85-K145 PolarHBondContact O-NZ 3.22Å; G86-K145 PolarHBondContact O-NZ 3.1Å; V143-K145 HydrophobicContact CG1-CB 4.08Å; K145-G147 PolarHBondContact O-N 2.82Å; K145-G147 VanDerWaalsContact O-N 3.1Å; K145-K148 PolarHBondContact N-O 2.88Å; K145-K148 VanDerWaalsContact N-O 3.07Å; K145-K148 PolarHBondContact O-N 3.37Å; K145-Y150 WeakPolarHBondContact O-CE2 3.42Å
146E88.1Confident94.3Very high136 Ų13644.5 Ų44.564%0.63621%0.207SC*.THydrogen-bonded Turntrans53.635175.2-67.6166.9-158.100114.1K148E146-K148 PolarHBondContact O-N 3.09Å
147G89.2Confident94Very high35 Ų3545 Ų4536%0.36121%0.211SC..THydrogen-bonded Turntrans73.75.9-179.100000115K145 E168 T169K145-G147 PolarHBondContact O-N 2.82Å; K145-G147 VanDerWaalsContact O-N 3.1Å; G147-E168 VanDerWaalsContact O-CA 3.31Å; G147-E168 WeakPolarHBondContact O-CA 3.19Å; G147-T169 CarbonylContact C-O 3.59Å; G147-T169 VanDerWaalsContact CA-O 3.31Å; G147-T169 WeakPolarHBondContact CA-O 3.26Å; G147-T169 PolarHBondContact O-N 3Å
148K94.2Very high93.7Very high94 Ų9445.6 Ų45.641%0.40922%0.221SC..EExtended strand (participates in β ladder)trans-125.3153.7-173.5-70.1174.5-179176.60112K145 E146 Y150 V165 G167 T169K145-K148 PolarHBondContact N-O 2.88Å; K145-K148 VanDerWaalsContact N-O 3.07Å; K145-K148 PolarHBondContact O-N 3.37Å; E146-K148 PolarHBondContact O-N 3.09Å; K148-Y150 HydrophobicContact CB-CD2 4.19Å; K148-Y150 HydrophobicContact CB-CE2 3.6Å; K148-V165 HydrophobicContact CB-CG1 4.07Å; K148-V165 HydrophobicContact CD-CG1 4.06Å; K148-V165 HydrophobicContact CD-CG2 4.25Å; K148-V165 HydrophobicContact CG-CG1 4.13Å; K148-G167 WeakPolarHBondContact CA-O 3.35Å; K148-T169 WeakPolarHBondContact O-CG2 3.27Å
149I95.6Very high93.6Very high32 Ų3246.4 Ų46.416%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-100.9111.7171-49.9175.7000107.4F144 V165 I166 G167 T169F144-I149 HydrophobicContact CD1-CD1 4.47Å; F144-I149 HydrophobicContact CD1-CG1 3.96Å; F144-I149 HydrophobicContact CD1-CG2 4.29Å; F144-I149 HydrophobicContact CE1-CD1 4.18Å; F144-I149 HydrophobicContact CE1-CG1 4.09Å; F144-I149 HydrophobicContact CE1-CG2 4.01Å; I149-V165 CarbonylContact O-C 3.53Å; I149-V165 WeakPolarHBondContact O-CA 3.43Å; I149-I166 HydrophobicContact CB-CG1 3.87Å; I149-I166 HydrophobicContact CG2-CD1 3.71Å; I149-I166 HydrophobicContact CG2-CG1 3.56Å; I149-I166 WeakPolarHBondContact O-CG1 3.37Å; I149-I166 PolarHBondContact O-N 3.48Å; I149-G167 PolarHBondContact N-O 2.78Å; I149-T169 HydrophobicContact CG1-CG2 3.73Å
150Y96.2Very high93.3Very high23 Ų2349.3 Ų49.39%0.0924%0.243CC..EExtended strand (participates in β ladder)trans-94.6142.3173.8-60.8-101.6000109.4V89 R142 V143 K145 K148 L163 K164 V165V89-Y150 HydrophobicContact CB-CD1 4.06Å; V89-Y150 HydrophobicContact CB-CD2 4.46Å; V89-Y150 HydrophobicContact CB-CE1 4.06Å; V89-Y150 HydrophobicContact CB-CE2 4.47Å; V89-Y150 HydrophobicContact CB-CG 4.26Å; V89-Y150 HydrophobicContact CG1-CD1 4.01Å; V89-Y150 HydrophobicContact CG1-CD2 3.8Å; V89-Y150 HydrophobicContact CG1-CE1 4.38Å; V89-Y150 HydrophobicContact CG1-CE2 4.21Å; V89-Y150 HydrophobicContact CG1-CG 3.71Å; V89-Y150 HydrophobicContact CG2-CD1 4.39Å; V89-Y150 HydrophobicContact CG2-CD2 4.42Å; V89-Y150 HydrophobicContact CG2-CE1 3.92Å; V89-Y150 HydrophobicContact CG2-CE2 3.97Å; R142-Y150 CarbonylContact C-O 3.5Å; R142-Y150 VanDerWaalsContact CA-O 3.24Å; R142-Y150 WeakPolarHBondContact CA-O 3.48Å; V143-Y150 PolarHBondContact N-O 2.99Å; V143-Y150 PolarHBondContact O-N 2.89Å; K145-Y150 WeakPolarHBondContact O-CE2 3.42Å; K148-Y150 HydrophobicContact CB-CD2 4.19Å; K148-Y150 HydrophobicContact CB-CE2 3.6Å; Y150-L163 HydrophobicContact CD1-CD2 3.93Å; Y150-L163 HydrophobicContact CD1-CG 4.16Å; Y150-K164 CarbonylContact C-O 3.6Å; Y150-K164 VanDerWaalsContact CA-O 3.28Å; Y150-K164 WeakPolarHBondContact CA-O 3.33Å; Y150-V165 HydrophobicContact CD1-CG2 3.86Å; Y150-V165 HydrophobicContact CE1-CG2 3.71Å
151F96.2Very high92.9Very high49 Ų4951.9 Ų51.922%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-135.3134.8-177.6177.2-98.4000110.8D140 V141 R142 D153 K164 I166D140-F151 HydrophobicContact CB-CE2 3.67Å; D140-F151 HydrophobicContact CB-CZ 3.93Å; V141-F151 WeakPolarHBondContact O-CA 3.01Å; R142-F151 HydrophobicContact CG-CD2 3.82Å; R142-F151 HydrophobicContact CG-CE2 4.49Å; F151-D153 HydrophobicContact CE1-CB 3.98Å; F151-D153 HydrophobicContact CZ-CB 4.09Å; F151-K164 PolarHBondContact N-O 3.01Å; F151-K164 PolarHBondContact O-N 2.77Å; F151-I166 HydrophobicContact CB-CB 4.41Å; F151-I166 HydrophobicContact CB-CD1 3.75Å; F151-I166 HydrophobicContact CB-CG1 3.93Å; F151-I166 HydrophobicContact CB-CG2 3.61Å; F151-I166 HydrophobicContact CD1-CG2 4.47Å; F151-I166 HydrophobicContact CD2-CD1 4.35Å; F151-I166 HydrophobicContact CG-CD1 4.24Å; F151-I166 HydrophobicContact CG-CG2 4.25Å
152Q95.5Very high92.6Very high1 Ų156.5 Ų56.51%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-141138.8169.8-164.6147.324.200110.8E101 D140 V141 Y154 V159 D161 L163E101-Q152 PolarHBondContact OE2-NE2 2.75Å; D140-Q152 WeakPolarHBondContact CA-O 3.4Å; V141-Q152 PolarHBondContact N-O 3.1Å; V141-Q152 PolarHBondContact O-N 3Å; Q152-Y154 HydrophobicContact CB-CE2 4.14Å; Q152-Y154 HydrophobicContact CG-CE1 4.4Å; Q152-Y154 HydrophobicContact CG-CE2 4.04Å; Q152-Y154 PolarHBondContact OE1-OH 3.17Å; Q152-V159 HydrophobicContact CG-CG1 4.49Å; Q152-V159 VanDerWaalsContact NE2-CG1 3.25Å; Q152-D161 WeakPolarHBondContact CG-O 3.44Å; Q152-D161 PolarHBondContact NE2-O 3.37Å; Q152-L163 HydrophobicContact CB-CD1 3.87Å
153D95.2Very high92.4Very high33 Ų3354.1 Ų54.118%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-113.6141.5-177.9-176.123.5000110F151 V160F151-D153 HydrophobicContact CE1-CB 3.98Å; F151-D153 HydrophobicContact CZ-CB 4.09Å; D153-V160 HydrophobicContact CB-CB 4.16Å; D153-V160 HydrophobicContact CB-CG2 4.37Å; D153-V160 WeakPolarHBondContact O-CB 3.14Å; D153-V160 PolarHBondContact O-N 2.68Å
154Y95.1Very high92.3Very high0 Ų058.6 Ų58.60%029%0.294CS..EExtended strand (participates in β ladder)trans-132.1143.2-178.9-53.3-94.5000110.3E101 F104 T105 N133 S138 L139 V141 Q152 A158 V159E101-Y154 WeakPolarHBondContact CA-OH 3.34Å; F104-Y154 HydrophobicContact CB-CE1 4Å; F104-Y154 HydrophobicContact CB-CE2 4.15Å; F104-Y154 HydrophobicContact CG-CE2 4.33Å; T105-Y154 HydrophobicContact CG2-CD1 4.13Å; T105-Y154 HydrophobicContact CG2-CE1 3.78Å; N133-Y154 VanDerWaalsContact ND2-CD1 3.33Å; N133-Y154 WeakPolarHBondContact ND2-CD1 3.23Å; N133-Y154 WeakPolarHBondContact OD1-CB 3.39Å; S138-Y154 CarbonylContact C-O 3.57Å; S138-Y154 VanDerWaalsContact CA-O 3.31Å; S138-Y154 WeakPolarHBondContact CA-O 3.43Å; L139-Y154 HydrophobicContact CD2-CD2 3.52Å; L139-Y154 HydrophobicContact CD2-CE2 4.03Å; L139-Y154 HydrophobicContact CD2-CG 4.37Å; L139-Y154 PolarHBondContact N-O 3.31Å; L139-Y154 WeakPolarHBondContact O-CA 3.45Å; L139-Y154 WeakPolarHBondContact O-CB 3.34Å; L139-Y154 WeakPolarHBondContact O-CD2 3.36Å; L139-Y154 PolarHBondContact O-N 3.43Å; V141-Y154 HydrophobicContact CG2-CE2 3.95Å; Q152-Y154 HydrophobicContact CB-CE2 4.14Å; Q152-Y154 HydrophobicContact CG-CE1 4.4Å; Q152-Y154 HydrophobicContact CG-CE2 4.04Å; Q152-Y154 PolarHBondContact OE1-OH 3.17Å; Y154-A158 CarbonylContact C-O 3.53Å; Y154-A158 WeakPolarHBondContact CA-O 2.94Å; Y154-V159 HydrophobicContact CD1-CG2 3.99Å; Y154-V159 HydrophobicContact CE1-CG2 3.77Å
155R93.8Very high92.3Very high161 Ų16160.7 Ų60.761%0.60831%0.309SS*.EExtended strand (participates in β ladder)trans-129122.8172.9-75.1-175.4-174.5-146.71.3110.2T137 G157 A158 V160T137-R155 WeakPolarHBondContact O-CA 3.46Å; R155-G157 PolarHBondContact O-N 3.31Å; R155-A158 PolarHBondContact N-O 3.5Å; R155-A158 PolarHBondContact O-N 3.39Å; R155-V160 HydrophobicContact CB-CG2 3.99Å; R155-V160 HydrophobicContact CG-CG2 3.62Å
156R90.5Very high92.4Very high111 Ų11163 Ų6342%0.41932%0.323SS..THydrogen-bonded Turntrans49.142.8179.8-62.4-173.8174-163.5-2.5113.3S136 T137 A158 D181 E183S136-R156 VanDerWaalsContact O-CA 3.31Å; S136-R156 WeakPolarHBondContact O-CA 3.35Å; S136-R156 PolarHBondContact O-N 2.93Å; T137-R156 PolarHBondContact O-N 3.34Å; T137-R156 VanDerWaalsContact O-N 3.16Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.22Å; R156-D181 IonicContact NE-OD2 3.79Å; R156-E183 IonicContact CZ-OE1 3.32Å; R156-E183 VanDerWaalsContact CZ-OE1 3.3Å; R156-E183 IonicContact CZ-OE2 3.66Å; R156-E183 VanDerWaalsContact NH1-CD 3.31Å; R156-E183 IonicContact NH1-OE1 2.65Å; R156-E183 PolarHBondContact NH1-OE1 3.3Å; R156-E183 IonicContact NH1-OE2 2.96Å; R156-E183 PolarHBondContact NH1-OE2 3.09Å; R156-E183 IonicContact NH2-OE1 2.95Å; R156-E183 PolarHBondContact NH2-OE1 2.97Å; R156-E183 IonicContact NH2-OE2 3.17Å; R156-E183 PolarHBondContact NH2-OE2 3.23Å
157G87.5Confident92.7Very high9 Ų957.9 Ų57.99%0.09331%0.306CS..THydrogen-bonded Turntrans84.3-11.2-178.600000115.9N133 R155N133-G157 PolarHBondContact ND2-O 3.33Å; N133-G157 PolarHBondContact O-N 2.91Å; N133-G157 VanDerWaalsContact O-N 3.09Å; R155-G157 PolarHBondContact O-N 3.31Å
158A89.4Confident92.8Very high60 Ų6064.5 Ų64.550%0.49633%0.328SS..EExtended strand (participates in β ladder)trans-97.1145.5-179.300000112Y154 R155 R156Y154-A158 CarbonylContact C-O 3.53Å; Y154-A158 WeakPolarHBondContact CA-O 2.94Å; R155-A158 PolarHBondContact N-O 3.5Å; R155-A158 PolarHBondContact O-N 3.39Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.22Å
159V91.7Very high92.7Very high46 Ų4661.2 Ų61.228%0.27932%0.315SS..EExtended strand (participates in β ladder)trans-69.6128.3175.1-178.60000109.9E101 T105 Q152 Y154 D161E101-V159 HydrophobicContact CG-CG2 3.63Å; T105-V159 HydrophobicContact CG2-CG2 3.86Å; Q152-V159 HydrophobicContact CG-CG1 4.49Å; Q152-V159 VanDerWaalsContact NE2-CG1 3.25Å; Y154-V159 HydrophobicContact CD1-CG2 3.99Å; Y154-V159 HydrophobicContact CE1-CG2 3.77Å; V159-D161 WeakPolarHBondContact CG1-O 3.17Å
160V91.4Very high92.4Very high61 Ų6168.9 Ų68.937%0.3735%0.351SS..SBendtrans-82.6-46.6175.3178.60000111D153 R155D153-V160 HydrophobicContact CB-CB 4.16Å; D153-V160 HydrophobicContact CB-CG2 4.37Å; D153-V160 WeakPolarHBondContact O-CB 3.14Å; D153-V160 PolarHBondContact O-N 2.68Å; R155-V160 HydrophobicContact CB-CG2 3.99Å; R155-V160 HydrophobicContact CG-CG2 3.62Å
161D86.7Confident92Very high74 Ų7475 Ų7540%0.39638%0.378SS..SBendtrans-140.4149.9-175.7-88.9-56000110Q152 V159 K164Q152-D161 WeakPolarHBondContact CG-O 3.44Å; Q152-D161 PolarHBondContact NE2-O 3.37Å; V159-D161 WeakPolarHBondContact CG1-O 3.17Å; D161-K164 IonicContact OD1-NZ 3.65Å; D161-K164 PolarHBondContact OD1-NZ 2.87Å; D161-K164 IonicContact OD2-NZ 3.15Å; D161-K164 PolarHBondContact OD2-NZ 2.97Å
162D90.1Very high91.8Very high97 Ų9778.1 Ų78.152%0.51939%0.393SS..  trans-60.7155169.9-75.4-28.2000111.1R97 K164R97-D162 IonicContact CZ-OD1 3.52Å; R97-D162 VanDerWaalsContact CZ-OD1 3.3Å; R97-D162 IonicContact NH1-OD1 3Å; R97-D162 PolarHBondContact NH1-OD1 3.09Å; R97-D162 IonicContact NH2-OD1 3.35Å; R97-D162 PolarHBondContact NH2-OD1 2.88Å; D162-K164 WeakPolarHBondContact O-CG 3.18Å; D162-K164 PolarHBondContact O-N 2.99Å; D162-K164 VanDerWaalsContact O-N 3.16Å
163L92.1Very high91.7Very high37 Ų3778 Ų7819%0.19439%0.392CS..  trans-54.2116.8-179.8-173.168.2000111.9V89 P98 V100 Y150 Q152V89-L163 HydrophobicContact CB-CD2 3.97Å; V89-L163 HydrophobicContact CG1-CD2 4.25Å; P98-L163 HydrophobicContact CB-CB 4.41Å; P98-L163 HydrophobicContact CB-CD2 3.97Å; P98-L163 HydrophobicContact CG-CB 4.08Å; P98-L163 HydrophobicContact CG-CD2 4.37Å; V100-L163 HydrophobicContact CG1-CD1 3.64Å; V100-L163 HydrophobicContact CG1-CD2 3.78Å; V100-L163 HydrophobicContact CG1-CG 4.25Å; Y150-L163 HydrophobicContact CD1-CD2 3.93Å; Y150-L163 HydrophobicContact CD1-CG 4.16Å; Q152-L163 HydrophobicContact CB-CD1 3.87Å
164K93.4Very high91.7Very high94 Ų9476.8 Ų76.841%0.40939%0.386SS..EExtended strand (participates in β ladder)trans-106.5149.5-178.6-73164.1-168.21770111.2Y150 F151 D161 D162 I166Y150-K164 CarbonylContact C-O 3.6Å; Y150-K164 VanDerWaalsContact CA-O 3.28Å; Y150-K164 WeakPolarHBondContact CA-O 3.33Å; F151-K164 PolarHBondContact N-O 3.01Å; F151-K164 PolarHBondContact O-N 2.77Å; D161-K164 IonicContact OD1-NZ 3.65Å; D161-K164 PolarHBondContact OD1-NZ 2.87Å; D161-K164 IonicContact OD2-NZ 3.15Å; D161-K164 PolarHBondContact OD2-NZ 2.97Å; D162-K164 WeakPolarHBondContact O-CG 3.18Å; D162-K164 PolarHBondContact O-N 2.99Å; D162-K164 VanDerWaalsContact O-N 3.16Å; K164-I166 HydrophobicContact CB-CG2 4.41Å
165V94.7Very high91.8Very high78 Ų7877.6 Ų77.647%0.47339%0.391SS..EExtended strand (participates in β ladder)trans-91.6121.1164.8178.10000107.8K148 I149 Y150K148-V165 HydrophobicContact CB-CG1 4.07Å; K148-V165 HydrophobicContact CD-CG1 4.06Å; K148-V165 HydrophobicContact CD-CG2 4.25Å; K148-V165 HydrophobicContact CG-CG1 4.13Å; I149-V165 CarbonylContact O-C 3.53Å; I149-V165 WeakPolarHBondContact O-CA 3.43Å; Y150-V165 HydrophobicContact CD1-CG2 3.86Å; Y150-V165 HydrophobicContact CE1-CG2 3.71Å
166I94.8Very high91.9Very high93 Ų9370.2 Ų70.248%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-108.6-7.1-175.160.7162.5000113.8I149 F151 K164I149-I166 HydrophobicContact CB-CG1 3.87Å; I149-I166 HydrophobicContact CG2-CD1 3.71Å; I149-I166 HydrophobicContact CG2-CG1 3.56Å; I149-I166 WeakPolarHBondContact O-CG1 3.37Å; I149-I166 PolarHBondContact O-N 3.48Å; F151-I166 HydrophobicContact CB-CB 4.41Å; F151-I166 HydrophobicContact CB-CD1 3.75Å; F151-I166 HydrophobicContact CB-CG1 3.93Å; F151-I166 HydrophobicContact CB-CG2 3.61Å; F151-I166 HydrophobicContact CD1-CG2 4.47Å; F151-I166 HydrophobicContact CD2-CD1 4.35Å; F151-I166 HydrophobicContact CG-CD1 4.24Å; F151-I166 HydrophobicContact CG-CG2 4.25Å; K164-I166 HydrophobicContact CB-CG2 4.41Å
167G92.9Very high92.2Very high27 Ų2766.5 Ų66.528%0.27835%0.351SS..EExtended strand (participates in β ladder)trans176.1-177.4178.500000113.8K148 I149K148-G167 WeakPolarHBondContact CA-O 3.35Å; I149-G167 PolarHBondContact N-O 2.78Å
168E92.9Very high92.7Very high175 Ų17566 Ų6682%0.81835%0.346SS*.EExtended strand (participates in β ladder)trans-104.6151.9172.8-64.2-176168.800110.3G147G147-E168 VanDerWaalsContact O-CA 3.31Å; G147-E168 WeakPolarHBondContact O-CA 3.19Å
169T91.2Very high93Very high24 Ų2465.8 Ų65.815%0.14734%0.336CS..  trans-153.3143.8-176.9-178.20000111.7F144 G147 K148 I149 K171F144-T169 HydrophobicContact CB-CG2 4.04Å; F144-T169 HydrophobicContact CD1-CG2 3.95Å; G147-T169 CarbonylContact C-O 3.59Å; G147-T169 VanDerWaalsContact CA-O 3.31Å; G147-T169 WeakPolarHBondContact CA-O 3.26Å; G147-T169 PolarHBondContact O-N 3Å; K148-T169 WeakPolarHBondContact O-CG2 3.27Å; I149-T169 HydrophobicContact CG1-CG2 3.73Å; T169-K171 WeakPolarHBondContact OG1-CB 3.26Å; T169-K171 PolarHBondContact OG1-N 2.87Å
170E89.2Confident93.1Very high193 Ų19363.9 Ų63.990%0.90233%0.325SS*.SBendtrans-89.8-10166.7-63.1-172.6166.300112.5
171K88.3Confident93.3Very high153 Ų15361 Ų6167%0.66531%0.307SS*.  trans-80156.8-179.7-55.7-179179.5-178.20111.7F144 T169F144-K171 WeakPolarHBondContact CB-O 3.38Å; T169-K171 WeakPolarHBondContact OG1-CB 3.26Å; T169-K171 PolarHBondContact OG1-N 2.87Å
172H90.6Very high93.5Very high113 Ų11361.1 Ų61.152%0.52331%0.312SS..  trans-117.9154.1165.9-60.6-52.7000109.8G84 F144G84-H172 CarbonylContact O-C 3.54Å; G84-H172 VanDerWaalsContact O-CB 3.31Å; G84-H172 WeakPolarHBondContact O-CB 3.42Å; F144-H172 WeakPolarHBondContact O-CA 3.44Å
173G93.6Very high93.6Very high0 Ų062 Ų620%031%0.313CS..EExtended strand (participates in β ladder)trans134.6-168.6173.600000114.7D82 G84 G86 F144D82-G173 VanDerWaalsContact O-CA 3.29Å; D82-G173 WeakPolarHBondContact O-CA 3.45Å; G84-G173 VanDerWaalsContact O-CA 3.27Å; G84-G173 WeakPolarHBondContact O-CA 3.36Å; G84-G173 PolarHBondContact O-N 2.92Å; G86-G173 WeakPolarHBondContact CA-O 3.32Å; F144-G173 PolarHBondContact N-O 3.12Å; F144-G173 PolarHBondContact O-N 3.03Å
174T95.3Very high93.5Very high7 Ų761.3 Ų61.34%0.04331%0.309CS..EExtended strand (participates in β ladder)trans-132.7139.4178.4-45.80000110.1S81 D82 G86 I87 V141 R142 V143 V176S81-T174 CarbonylContact C-O 3.57Å; S81-T174 WeakPolarHBondContact CA-O 3.22Å; D82-T174 PolarHBondContact N-O 2.78Å; D82-T174 PolarHBondContact O-N 3.27Å; D82-T174 PolarHBondContact OD1-N 2.77Å; G86-T174 WeakPolarHBondContact CA-OG1 3.38Å; I87-T174 HydrophobicContact CD1-CG2 3.86Å; I87-T174 HydrophobicContact CG1-CG2 4.11Å; I87-T174 PolarHBondContact N-OG1 3.18Å; V141-T174 HydrophobicContact CG1-CG2 3.95Å; R142-T174 CarbonylContact O-C 3.6Å; R142-T174 WeakPolarHBondContact O-CA 3.5Å; V143-T174 HydrophobicContact CG2-CG2 4.39Å; T174-V176 HydrophobicContact CG2-CG2 4.07Å
175T96.8Very high93.4Very high16 Ų1656.9 Ų56.910%0.09829%0.29CS..EExtended strand (participates in β ladder)trans-119.4127.8165.6-63.50000108.5T79 V80 S81 V141 R142T79-T175 HydrophobicContact CG2-CG2 3.62Å; V80-T175 CarbonylContact O-C 3.57Å; V80-T175 WeakPolarHBondContact O-CA 3.38Å; S81-T175 WeakPolarHBondContact OG-CG2 3.15Å; S81-T175 PolarHBondContact OG-OG1 2.86Å; V141-T175 CarbonylContact C-O 3.55Å; V141-T175 WeakPolarHBondContact CA-O 3.06Å; R142-T175 PolarHBondContact N-O 2.88Å; R142-T175 PolarHBondContact O-N 2.97Å
176V97Very high92.9Very high7 Ų758.5 Ų58.54%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-118.2126.5174.6-177.20000107.9I52 T79 V80 F104 L139 V141 T174I52-V176 HydrophobicContact CD1-CG1 4.18Å; I52-V176 HydrophobicContact CG1-CG1 4.37Å; I52-V176 HydrophobicContact CG2-CB 3.88Å; I52-V176 HydrophobicContact CG2-CG1 4.29Å; I52-V176 HydrophobicContact CG2-CG2 4.01Å; T79-V176 CarbonylContact C-O 3.57Å; T79-V176 WeakPolarHBondContact CA-O 3.46Å; V80-V176 PolarHBondContact N-O 2.87Å; V80-V176 PolarHBondContact O-N 2.93Å; F104-V176 HydrophobicContact CE1-CG1 4.13Å; F104-V176 HydrophobicContact CE1-CG2 4.49Å; F104-V176 HydrophobicContact CZ-CG1 4.24Å; F104-V176 HydrophobicContact CZ-CG2 3.81Å; L139-V176 HydrophobicContact CD1-CG1 4.16Å; L139-V176 HydrophobicContact CD2-CG1 4.37Å; L139-V176 HydrophobicContact CG-CG1 4.22Å; V141-V176 HydrophobicContact CG1-CG2 4.42Å; V141-V176 HydrophobicContact CG2-CG2 4.48Å; T174-V176 HydrophobicContact CG2-CG2 4.07Å
177H97.7Very high92.3Very high32 Ų3260.2 Ų60.215%0.14831%0.306CS..EExtended strand (participates in β ladder)trans-120.1132.5175173.887.3000109S77 I78 T79 L139 D140S77-H177 PolarHBondContact OG-CE1 3Å; I78-H177 CarbonylContact O-C 3.58Å; I78-H177 VanDerWaalsContact O-CA 3.31Å; I78-H177 WeakPolarHBondContact O-CA 3.43Å; T79-H177 PolarHBondContact OG1-ND1 2.81Å; L139-H177 CarbonylContact C-O 3.12Å; L139-H177 VanDerWaalsContact CA-O 3.25Å; L139-H177 WeakPolarHBondContact CA-O 3.34Å; D140-H177 PolarHBondContact N-O 2.91Å; D140-H177 PolarHBondContact O-N 3.23Å; D140-H177 WeakPolarHBondContact OD2-CB 3.47Å; D140-H177 IonicContact OD2-CD2 3.24Å; D140-H177 PolarHBondContact OD2-CD2 2.85Å; D140-H177 IonicContact OD2-CG 2.85Å
178F96.9Very high92Very high0 Ų060.4 Ų60.40%030%0.304CS..EExtended strand (participates in β ladder)trans-145.2147.7-178.672.1-88.2000113.4L48 V49 I52 I78 V132 S138 L139 P180 F191L48-F178 HydrophobicContact CB-CE2 3.78Å; L48-F178 HydrophobicContact CB-CZ 3.91Å; L48-F178 HydrophobicContact CD1-CE2 4.08Å; V49-F178 HydrophobicContact CG2-CZ 4.07Å; I52-F178 HydrophobicContact CG1-CE1 4.33Å; I78-F178 HydrophobicContact CB-CD1 4.17Å; I78-F178 HydrophobicContact CB-CE1 3.63Å; I78-F178 HydrophobicContact CB-CE2 4.31Å; I78-F178 HydrophobicContact CB-CZ 3.71Å; I78-F178 HydrophobicContact CG1-CZ 4.15Å; I78-F178 HydrophobicContact CG2-CD1 4.28Å; I78-F178 HydrophobicContact CG2-CE1 3.49Å; I78-F178 VanDerWaalsContact CG2-CE1 3.49Å; I78-F178 HydrophobicContact CG2-CZ 3.87Å; I78-F178 PolarHBondContact N-O 2.95Å; I78-F178 VanDerWaalsContact N-O 3.09Å; I78-F178 PolarHBondContact O-N 2.82Å; V132-F178 HydrophobicContact CG1-CB 4.31Å; V132-F178 HydrophobicContact CG1-CD1 3.96Å; V132-F178 HydrophobicContact CG1-CD2 3.94Å; V132-F178 HydrophobicContact CG1-CE1 4.21Å; V132-F178 HydrophobicContact CG1-CE2 4.21Å; V132-F178 HydrophobicContact CG1-CG 3.81Å; V132-F178 HydrophobicContact CG1-CZ 4.33Å; S138-F178 WeakPolarHBondContact O-CA 3.44Å; L139-F178 HydrophobicContact CB-CB 4.12Å; L139-F178 HydrophobicContact CD1-CB 3.94Å; L139-F178 HydrophobicContact CG-CB 4.02Å; F178-P180 HydrophobicContact CD2-CG 4.36Å; F178-P180 HydrophobicContact CE2-CG 4.18Å; F178-F191 HydrophobicContact CE2-CZ 4.15Å; F178-F191 HydrophobicContact CZ-CZ 4.48Å
179I96.6Very high91.7Very high55 Ų5554.8 Ų54.828%0.28228%0.281SS..EExtended strand (participates in β ladder)trans-115111.6176.8-54-172.6000108.1S136 T137 S138S136-I179 CarbonylContact C-O 3.56Å; S136-I179 WeakPolarHBondContact CA-O 3.25Å; S136-I179 WeakPolarHBondContact CB-O 3.12Å; T137-I179 PolarHBondContact N-O 2.8Å; S138-I179 PolarHBondContact O-N 3.36Å; S138-I179 WeakPolarHBondContact OG-CD1 3.49Å; S138-I179 WeakPolarHBondContact OG-CG1 3.5Å
180P94.1Very high91.7Very high6 Ų657 Ų574%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-55.1142.8177.9-24.933.4000112.6L45 F178 P182 F185 F191L45-P180 HydrophobicContact CD1-CB 3.53Å; L45-P180 HydrophobicContact CD1-CG 3.54Å; F178-P180 HydrophobicContact CD2-CG 4.36Å; F178-P180 HydrophobicContact CE2-CG 4.18Å; P180-P182 VanDerWaalsContact O-CD 3.3Å; P180-P182 WeakPolarHBondContact O-CD 3.16Å; P180-F185 HydrophobicContact CB-CD2 3.93Å; P180-F185 HydrophobicContact CB-CE2 4.22Å; P180-F191 HydrophobicContact CG-CE2 3.56Å; P180-F191 HydrophobicContact CG-CZ 3.42Å; P180-F191 VanDerWaalsContact CG-CZ 3.42Å
181D94.2Very high91.9Very high0 Ų048 Ų480%025%0.252CS..  trans-78.7115.1-178.3-159.8-29.7000111.9R30 L135 T137 R156 E183 I184 F185R30-D181 IonicContact CZ-OD2 3.51Å; R30-D181 VanDerWaalsContact CZ-OD2 3.23Å; R30-D181 IonicContact NH1-OD2 2.73Å; R30-D181 PolarHBondContact NH1-OD2 2.99Å; R30-D181 IonicContact NH2-OD2 3.5Å; R30-D181 PolarHBondContact NH2-OD2 3.44Å; L135-D181 WeakPolarHBondContact O-CB 3.47Å; L135-D181 PolarHBondContact O-N 3.49Å; T137-D181 WeakPolarHBondContact OG1-CA 3.45Å; T137-D181 PolarHBondContact OG1-OD1 2.96Å; R156-D181 IonicContact NE-OD2 3.79Å; D181-E183 PolarHBondContact O-N 3Å; D181-E183 WeakPolarHBondContact OD1-CB 3.48Å; D181-E183 PolarHBondContact OD1-N 2.92Å; D181-I184 HydrophobicContact CB-CB 4.38Å; D181-I184 HydrophobicContact CB-CG1 4.1Å; D181-I184 PolarHBondContact O-N 3.43Å; D181-F185 PolarHBondContact O-N 3.24Å
182P92.2Very high92Very high77 Ų7744 Ų4450%0.524%0.238SC..THydrogen-bonded Turntrans-66-14.8178.427.7-34.3000113.2T137 P180 I184 T189T137-P182 WeakPolarHBondContact OG1-CD 3.41Å; P180-P182 VanDerWaalsContact O-CD 3.3Å; P180-P182 WeakPolarHBondContact O-CD 3.16Å; P182-I184 VanDerWaalsContact C-N 3.26Å; P182-T189 HydrophobicContact CB-CG2 4.05Å
183E91.2Very high92.1Very high116 Ų11639.2 Ų39.254%0.54222%0.216SC..THydrogen-bonded Turntrans-72.9-20.3170.3-67.9179.8-174.300112.7R30 R156 D181R30-E183 IonicContact NH2-OE2 3.11Å; R156-E183 IonicContact CZ-OE1 3.32Å; R156-E183 VanDerWaalsContact CZ-OE1 3.3Å; R156-E183 IonicContact CZ-OE2 3.66Å; R156-E183 VanDerWaalsContact NH1-CD 3.31Å; R156-E183 IonicContact NH1-OE1 2.65Å; R156-E183 PolarHBondContact NH1-OE1 3.3Å; R156-E183 IonicContact NH1-OE2 2.96Å; R156-E183 PolarHBondContact NH1-OE2 3.09Å; R156-E183 IonicContact NH2-OE1 2.95Å; R156-E183 PolarHBondContact NH2-OE1 2.97Å; R156-E183 IonicContact NH2-OE2 3.17Å; R156-E183 PolarHBondContact NH2-OE2 3.23Å; D181-E183 PolarHBondContact O-N 3Å; D181-E183 WeakPolarHBondContact OD1-CB 3.48Å; D181-E183 PolarHBondContact OD1-N 2.92Å
184I90.7Very high91.9Very high21 Ų2143.1 Ų43.111%0.10823%0.234CC..THydrogen-bonded Turntrans-100.4-47.4178.9-61.1-62.7000110.8R30 P33 T40 L135 D181 P182 T186R30-I184 WeakPolarHBondContact O-CD1 3.45Å; P33-I184 HydrophobicContact CB-CG2 3.93Å; P33-I184 HydrophobicContact CG-CG2 3.94Å; T40-I184 HydrophobicContact CG2-CG2 4.03Å; L135-I184 HydrophobicContact CD2-CG1 4.28Å; L135-I184 HydrophobicContact CD2-CG2 4.24Å; D181-I184 HydrophobicContact CB-CB 4.38Å; D181-I184 HydrophobicContact CB-CG1 4.1Å; D181-I184 PolarHBondContact O-N 3.43Å; P182-I184 VanDerWaalsContact C-N 3.26Å; I184-T186 PolarHBondContact O-N 3.46Å
185F90.5Very high91.5Very high2 Ų247.9 Ų47.91%0.00925%0.254CS..  trans-95.873.8-177.9-62.4-79.9000110.6I37 L45 L48 L135 P180 D181 T189I37-F185 HydrophobicContact CD1-CE1 3.74Å; I37-F185 HydrophobicContact CD1-CZ 3.58Å; L45-F185 HydrophobicContact CB-CD1 4.03Å; L45-F185 HydrophobicContact CB-CE1 4.07Å; L45-F185 HydrophobicContact CD1-CB 4.49Å; L45-F185 HydrophobicContact CD1-CD1 4.07Å; L45-F185 HydrophobicContact CD1-CD2 4.15Å; L45-F185 HydrophobicContact CD1-CE1 4.33Å; L45-F185 HydrophobicContact CD1-CE2 4.4Å; L45-F185 HydrophobicContact CD1-CG 3.97Å; L45-F185 HydrophobicContact CD1-CZ 4.48Å; L48-F185 HydrophobicContact CD1-CE2 3.6Å; L48-F185 HydrophobicContact CD1-CZ 3.58Å; L48-F185 HydrophobicContact CD2-CZ 4.44Å; L48-F185 HydrophobicContact CG-CZ 4.03Å; L135-F185 HydrophobicContact CB-CE2 4.22Å; P180-F185 HydrophobicContact CB-CD2 3.93Å; P180-F185 HydrophobicContact CB-CE2 4.22Å; D181-F185 PolarHBondContact O-N 3.24Å; F185-T189 HydrophobicContact CB-CG2 4.28Å
186T84.6Confident91.2Very high111 Ų11147.1 Ų47.168%0.68125%0.25SC*.  trans-76.4-22.6-17653.90000113.7I184I184-T186 PolarHBondContact O-N 3.46Å
187E83Confident91Very high129 Ų12946.8 Ų46.860%0.60325%0.248SC*.SBendtrans-76.3-43.4178.8-68.5176.9-154.600112.4S41S41-E187 VanDerWaalsContact CA-OE2 3.24Å; S41-E187 WeakPolarHBondContact CA-OE2 3.4Å; S41-E187 WeakPolarHBondContact CB-OE2 3.22Å
188S85.3Confident90.6Very high32 Ų3248.4 Ų48.422%0.22426%0.26CS..  trans-165.2136.8178179.60000110.6V190S188-V190 PolarHBondContact OG-N 3.48Å; S188-V190 PolarHBondContact OG-O 3.36Å
189T87.8Confident90.1Very high56 Ų5650.6 Ų50.634%0.34427%0.268SS..  trans-103.94165.453.50000112.1P182 F185P182-T189 HydrophobicContact CB-CG2 4.05Å; F185-T189 HydrophobicContact CB-CG2 4.28Å
190V91.1Very high89.9Confident72 Ų7248 Ų4844%0.43626%0.255SS..  trans-92.4116.9-175.4-179.40000110.2S188S188-V190 PolarHBondContact OG-N 3.48Å; S188-V190 PolarHBondContact OG-O 3.36Å
191F92.6Very high89.9Confident2 Ų250.6 Ų50.61%0.00926%0.264CS..  trans-71.8141.1175.7-68.2-87.3000112.2L45 H46 V49 V72 N76 I78 F178 P180 L196 R218L45-F191 HydrophobicContact CD1-CE1 4.09Å; L45-F191 HydrophobicContact CD1-CE2 4.38Å; L45-F191 HydrophobicContact CD1-CZ 3.83Å; L45-F191 HydrophobicContact CD2-CD1 4.17Å; L45-F191 HydrophobicContact CD2-CE1 4.19Å; L45-F191 HydrophobicContact CD2-CG 4.36Å; L45-F191 HydrophobicContact CD2-CZ 4.41Å; L45-F191 HydrophobicContact CG-CD1 4.05Å; L45-F191 HydrophobicContact CG-CE1 3.62Å; L45-F191 HydrophobicContact CG-CE2 4.49Å; L45-F191 HydrophobicContact CG-CZ 3.88Å; L45-F191 WeakPolarHBondContact O-CE1 3.29Å; H46-F191 AromaticContact CD2-CD1 3.7Å; V49-F191 HydrophobicContact CG2-CD1 3.97Å; V49-F191 HydrophobicContact CG2-CE1 3.5Å; V49-F191 VanDerWaalsContact CG2-CE1 3.5Å; V49-F191 HydrophobicContact CG2-CZ 4.34Å; V72-F191 HydrophobicContact CG1-CB 4.44Å; N76-F191 WeakPolarHBondContact O-CD2 3.44Å; N76-F191 WeakPolarHBondContact O-CE2 3.33Å; I78-F191 HydrophobicContact CD1-CB 4.42Å; I78-F191 HydrophobicContact CD1-CD1 4.01Å; I78-F191 HydrophobicContact CD1-CD2 3.91Å; I78-F191 HydrophobicContact CD1-CE1 4.24Å; I78-F191 HydrophobicContact CD1-CE2 4.12Å; I78-F191 HydrophobicContact CD1-CG 3.85Å; I78-F191 HydrophobicContact CD1-CZ 4.28Å; I78-F191 HydrophobicContact CG1-CD1 4Å; I78-F191 HydrophobicContact CG1-CD2 3.73Å; I78-F191 HydrophobicContact CG1-CE1 3.72Å; I78-F191 HydrophobicContact CG1-CE2 3.41Å; I78-F191 VanDerWaalsContact CG1-CE2 3.41Å; I78-F191 HydrophobicContact CG1-CG 4.02Å; I78-F191 HydrophobicContact CG1-CZ 3.4Å; F178-F191 HydrophobicContact CE2-CZ 4.15Å; F178-F191 HydrophobicContact CZ-CZ 4.48Å; P180-F191 HydrophobicContact CG-CE2 3.56Å; P180-F191 HydrophobicContact CG-CZ 3.42Å; P180-F191 VanDerWaalsContact CG-CZ 3.42Å; F191-L196 HydrophobicContact CB-CD1 4.03Å; F191-L196 HydrophobicContact CD1-CD1 4.19Å; F191-L196 HydrophobicContact CG-CD1 4.43Å; F191-R218 PolarHBondContact O-NH1 2.93Å; F191-R218 PolarHBondContact O-NH2 2.79Å
192N91.1Very high89.7Confident69 Ų6951.6 Ų51.637%0.36927%0.269SS..  trans-94.1107175.1-176.9-42.4000109.1H46 E194 K195 L196H46-N192 PolarHBondContact NE2-N 3.07Å; N192-E194 VanDerWaalsContact C-N 3.32Å; N192-E194 PolarHBondContact O-N 2.76Å; N192-E194 PolarHBondContact OD1-N 3.34Å; N192-K195 HydrophobicContact CB-CB 4.16Å; N192-K195 HydrophobicContact CB-CD 4.46Å; N192-K195 HydrophobicContact CB-CG 4.34Å; N192-K195 PolarHBondContact O-N 3.23Å; N192-K195 PolarHBondContact OD1-N 3.01Å; N192-K195 VanDerWaalsContact OD1-N 3.08Å; N192-L196 WeakPolarHBondContact O-CG 3.44Å; N192-L196 PolarHBondContact O-N 3.13Å
193F91.6Very high89.6Confident14 Ų1448 Ų486%0.06125%0.245CC..Hα-helixtrans-61-37.4-176.4175.9-104.5000113.1V72 L196 A197 I214 D216 V223 R225V72-F193 HydrophobicContact CG2-CD2 4.31Å; F193-L196 PolarHBondContact O-N 2.91Å; F193-A197 HydrophobicContact CE1-CB 4.47Å; F193-A197 WeakPolarHBondContact O-CB 3.29Å; F193-A197 PolarHBondContact O-N 2.77Å; F193-I214 HydrophobicContact CD2-CD1 3.94Å; F193-I214 HydrophobicContact CD2-CG1 4.17Å; F193-I214 HydrophobicContact CE2-CB 4.34Å; F193-I214 HydrophobicContact CE2-CD1 3.92Å; F193-I214 HydrophobicContact CE2-CG1 3.73Å; F193-I214 HydrophobicContact CE2-CG2 3.99Å; F193-I214 HydrophobicContact CZ-CG2 4.12Å; F193-D216 HydrophobicContact CB-CB 4.47Å; F193-D216 VanDerWaalsContact CB-OD2 3.23Å; F193-D216 WeakPolarHBondContact CB-OD2 3.32Å; F193-D216 HydrophobicContact CD1-CB 4.32Å; F193-D216 HydrophobicContact CD2-CB 3.52Å; F193-D216 HydrophobicContact CE1-CB 4.43Å; F193-D216 HydrophobicContact CE2-CB 3.62Å; F193-D216 HydrophobicContact CG-CB 3.86Å; F193-D216 WeakPolarHBondContact CG-OD2 3.27Å; F193-D216 HydrophobicContact CZ-CB 4.09Å; F193-V223 HydrophobicContact CE1-CB 4.42Å; F193-V223 HydrophobicContact CE1-CG1 3.89Å; F193-V223 HydrophobicContact CZ-CB 4.43Å; F193-V223 HydrophobicContact CZ-CG1 4.09Å; F193-V223 WeakPolarHBondContact CZ-O 3.27Å; F193-R225 HydrophobicContact CZ-CG 4.24Å
194E89.5Confident89.7Confident82 Ų8242.5 Ų42.538%0.38322%0.219SC..Hα-helixtrans-68.8-40.1-179.4-66.4-65.7168.400112.2N192 A197 T198 R225N192-E194 VanDerWaalsContact C-N 3.32Å; N192-E194 PolarHBondContact O-N 2.76Å; N192-E194 PolarHBondContact OD1-N 3.34Å; E194-A197 PolarHBondContact O-N 2.82Å; E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.11Å; E194-T198 PolarHBondContact O-OG1 3.38Å; E194-R225 VanDerWaalsContact CD-NH2 3.28Å; E194-R225 IonicContact OE1-CZ 3.94Å; E194-R225 IonicContact OE1-NH1 2.91Å; E194-R225 IonicContact OE1-NH2 3.95Å; E194-R225 PolarHBondContact OE1-NH2 3.25Å; E194-R225 IonicContact OE2-CZ 3.8Å; E194-R225 VanDerWaalsContact OE2-CZ 3.31Å; E194-R225 IonicContact OE2-NH1 3.4Å; E194-R225 PolarHBondContact OE2-NH1 3.36Å; E194-R225 IonicContact OE2-NH2 3.65Å; E194-R225 PolarHBondContact OE2-NH2 3.46Å; E194-R225 VanDerWaalsContact OE2-NH2 3.08Å
195K87.3Confident89.7Confident106 Ų10641.6 Ų41.646%0.46121%0.214SC..Hα-helixtrans-62.3-46.7173-77.9-168.9170.9-170.90110.7N192 T198 R199N192-K195 HydrophobicContact CB-CB 4.16Å; N192-K195 HydrophobicContact CB-CD 4.46Å; N192-K195 HydrophobicContact CB-CG 4.34Å; N192-K195 PolarHBondContact O-N 3.23Å; N192-K195 PolarHBondContact OD1-N 3.01Å; N192-K195 VanDerWaalsContact OD1-N 3.08Å; K195-T198 PolarHBondContact O-N 3.03Å; K195-R199 PolarHBondContact O-N 3.42Å
196L91.5Very high89.7Confident0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-61.6-48.4177.8-66.5-179.7000111.3H46 V49 W50 V72 I78 F191 N192 F193 T198 R199 V200 I214H46-L196 HydrophobicContact CB-CD2 4.16Å; V49-L196 HydrophobicContact CB-CD2 4.23Å; V49-L196 HydrophobicContact CG1-CD2 4.29Å; V49-L196 HydrophobicContact CG2-CD2 4.04Å; W50-L196 HydrophobicContact CH2-CB 4.16Å; W50-L196 HydrophobicContact CH2-CD2 3.43Å; W50-L196 VanDerWaalsContact CH2-CD2 3.43Å; W50-L196 HydrophobicContact CH2-CG 4.4Å; W50-L196 HydrophobicContact CZ2-CD2 3.45Å; W50-L196 VanDerWaalsContact CZ2-CD2 3.45Å; W50-L196 HydrophobicContact CZ3-CD2 4.32Å; V72-L196 HydrophobicContact CG2-CD1 3.94Å; I78-L196 HydrophobicContact CD1-CD1 4.08Å; F191-L196 HydrophobicContact CB-CD1 4.03Å; F191-L196 HydrophobicContact CD1-CD1 4.19Å; F191-L196 HydrophobicContact CG-CD1 4.43Å; N192-L196 WeakPolarHBondContact O-CG 3.44Å; N192-L196 PolarHBondContact O-N 3.13Å; F193-L196 PolarHBondContact O-N 2.91Å; L196-T198 VanDerWaalsContact C-N 3.31Å; L196-T198 PolarHBondContact O-N 2.76Å; L196-R199 PolarHBondContact O-N 3.44Å; L196-V200 VanDerWaalsContact O-CG2 3.28Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.27Å; L196-I214 HydrophobicContact CB-CD1 3.47Å; L196-I214 VanDerWaalsContact CB-CD1 3.47Å
197A91.7Very high89.9Confident0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-62.6-36.4-178.900000112.9F193 E194 R201 I214 Y227F193-A197 HydrophobicContact CE1-CB 4.47Å; F193-A197 WeakPolarHBondContact O-CB 3.29Å; F193-A197 PolarHBondContact O-N 2.77Å; E194-A197 PolarHBondContact O-N 2.82Å; A197-R201 WeakPolarHBondContact O-CB 3.35Å; A197-R201 PolarHBondContact O-N 3.03Å; A197-I214 HydrophobicContact CB-CD1 4.18Å; A197-I214 HydrophobicContact CB-CG2 3.78Å; A197-Y227 PolarHBondContact O-OH 3.06Å
198T88.5Confident90Very high66 Ų6638.6 Ų38.641%0.40519%0.186SC..Hα-helixtrans-63.6-45.6175.7-62.50000111.2E194 K195 L196 R201 E202E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.11Å; E194-T198 PolarHBondContact O-OG1 3.38Å; K195-T198 PolarHBondContact O-N 3.03Å; L196-T198 VanDerWaalsContact C-N 3.31Å; L196-T198 PolarHBondContact O-N 2.76Å; T198-R201 PolarHBondContact O-N 2.81Å; T198-E202 PolarHBondContact O-N 2.94Å
199R88.2Confident90Very high46 Ų4638.9 Ų38.917%0.17419%0.194CC..Hα-helixtrans-69.3-40.1178.1-176.566178.3164.46.5112.3W50 K195 L196 R201 E202 L203 N283W50-R199 HydrophobicContact CD2-CG 4.07Å; W50-R199 HydrophobicContact CE3-CG 4.06Å; W50-R199 HydrophobicContact CH2-CB 3.45Å; W50-R199 VanDerWaalsContact CH2-CB 3.45Å; W50-R199 HydrophobicContact CH2-CG 3.57Å; W50-R199 HydrophobicContact CZ2-CB 3.51Å; W50-R199 HydrophobicContact CZ2-CG 3.53Å; W50-R199 HydrophobicContact CZ3-CB 4.14Å; W50-R199 HydrophobicContact CZ3-CG 3.83Å; K195-R199 PolarHBondContact O-N 3.42Å; L196-R199 PolarHBondContact O-N 3.44Å; R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 3.11Å; R199-E202 IonicContact CZ-OE1 2.72Å; R199-E202 IonicContact NH1-OE1 3.71Å; R199-E202 PolarHBondContact NH1-OE1 2.81Å; R199-E202 WeakPolarHBondContact O-CB 3.37Å; R199-E202 PolarHBondContact O-N 3.26Å; R199-L203 HydrophobicContact CG-CD1 4.34Å; R199-L203 WeakPolarHBondContact O-CG 3.39Å; R199-L203 PolarHBondContact O-N 3.06Å; R199-N283 PolarHBondContact NH2-O 2.89Å
200V92.2Very high90.1Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-59.5-41.8174.3174.10000111W50 V70 L196 L203 A204 L212 I214 Y227W50-V200 HydrophobicContact CH2-CG2 4.47Å; W50-V200 HydrophobicContact CZ3-CG2 4.21Å; V70-V200 HydrophobicContact CG2-CG2 4.32Å; L196-V200 VanDerWaalsContact O-CG2 3.28Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.27Å; V200-L203 PolarHBondContact O-N 2.8Å; V200-A204 PolarHBondContact O-N 3.48Å; V200-L212 HydrophobicContact CG1-CB 3.54Å; V200-L212 HydrophobicContact CG1-CD2 4Å; V200-L212 HydrophobicContact CG1-CG 4.43Å; V200-I214 HydrophobicContact CG1-CB 4.45Å; V200-I214 HydrophobicContact CG2-CB 4.46Å; V200-I214 HydrophobicContact CG2-CD1 4.27Å; V200-Y227 HydrophobicContact CB-CD2 4.48Å; V200-Y227 HydrophobicContact CB-CE2 4.35Å; V200-Y227 HydrophobicContact CG1-CD2 3.85Å; V200-Y227 HydrophobicContact CG1-CE2 4.1Å
201R92.6Very high90.3Very high62 Ų6236.6 Ų36.623%0.23417%0.174CC..Hα-helixtrans-63-43.6173.9-175178.360.3-165.1-5.4112.4A197 T198 R199 L203 A204 F205 Y227 Y229 H239A197-R201 WeakPolarHBondContact O-CB 3.35Å; A197-R201 PolarHBondContact O-N 3.03Å; T198-R201 PolarHBondContact O-N 2.81Å; R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 3.11Å; R201-L203 VanDerWaalsContact C-N 3.35Å; R201-A204 WeakPolarHBondContact O-CB 3.36Å; R201-A204 PolarHBondContact O-N 3.06Å; R201-A204 VanDerWaalsContact O-N 3.15Å; R201-F205 HydrophobicContact CG-CD2 4.28Å; R201-F205 HydrophobicContact CG-CE2 3.75Å; R201-F205 HydrophobicContact CG-CZ 4.38Å; R201-F205 WeakPolarHBondContact O-CD2 3.38Å; R201-F205 PolarHBondContact O-N 2.99Å; R201-F205 VanDerWaalsContact O-N 3.1Å; R201-Y227 HydrophobicContact CB-CD1 3.81Å; R201-Y227 HydrophobicContact CB-CD2 4.01Å; R201-Y227 HydrophobicContact CB-CE1 3.74Å; R201-Y227 HydrophobicContact CB-CE2 3.91Å; R201-Y227 HydrophobicContact CB-CG 3.93Å; R201-Y227 HydrophobicContact CG-CD1 3.61Å; R201-Y227 HydrophobicContact CG-CE1 3.76Å; R201-Y227 HydrophobicContact CG-CG 4.07Å; R201-Y229 HydrophobicContact CG-CE2 3.92Å; R201-H239 PolarHBondContact NH1-CE1 3.01Å; R201-H239 VanDerWaalsContact NH1-CE1 3.35Å
202E90.2Very high90.4Very high21 Ų2136.5 Ų36.510%0.09817%0.173CC..Hα-helixtrans-59.8-45.1176.3-178.7171.1102.600111.7T198 R199 A204 F205 L206 Y236 F280T198-E202 PolarHBondContact O-N 2.94Å; R199-E202 IonicContact CZ-OE1 2.72Å; R199-E202 IonicContact NH1-OE1 3.71Å; R199-E202 PolarHBondContact NH1-OE1 2.81Å; R199-E202 WeakPolarHBondContact O-CB 3.37Å; R199-E202 PolarHBondContact O-N 3.26Å; E202-A204 VanDerWaalsContact C-N 3.25Å; E202-A204 PolarHBondContact O-N 2.81Å; E202-F205 WeakPolarHBondContact O-CB 3.2Å; E202-F205 PolarHBondContact O-N 2.85Å; E202-F205 VanDerWaalsContact O-N 3.09Å; E202-L206 HydrophobicContact CG-CD1 3.98Å; E202-L206 WeakPolarHBondContact O-CG 3.38Å; E202-L206 PolarHBondContact O-N 3.1Å; E202-Y236 HydrophobicContact CG-CE1 3.78Å; E202-Y236 PolarHBondContact OE2-OH 3.02Å; E202-F280 HydrophobicContact CG-CE1 4.2Å; E202-F280 HydrophobicContact CG-CZ 4.2Å; E202-F280 VanDerWaalsContact OE1-CE1 3.3Å; E202-F280 WeakPolarHBondContact OE1-CE1 3.33Å
203L90.8Very high90.6Very high1 Ų133.3 Ų33.31%0.00516%0.156CC..Hα-helixtrans-61.4-34174.9-68.2169.2000112V53 I57 R199 V200 R201 L206 N207 L212 N283V53-L203 HydrophobicContact CG1-CD1 3.82Å; I57-L203 HydrophobicContact CD1-CB 3.99Å; I57-L203 HydrophobicContact CD1-CD1 3.83Å; I57-L203 HydrophobicContact CD1-CD2 3.81Å; I57-L203 HydrophobicContact CD1-CG 4.08Å; R199-L203 HydrophobicContact CG-CD1 4.34Å; R199-L203 WeakPolarHBondContact O-CG 3.39Å; R199-L203 PolarHBondContact O-N 3.06Å; V200-L203 PolarHBondContact O-N 2.8Å; R201-L203 VanDerWaalsContact C-N 3.35Å; L203-L206 PolarHBondContact O-N 2.96Å; L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.14Å; L203-N207 PolarHBondContact O-ND2 2.92Å; L203-L212 HydrophobicContact CB-CD2 3.97Å; L203-N283 HydrophobicContact CD2-CB 4.1Å
204A92.1Very high90.9Very high0 Ų032.7 Ų32.70%015%0.154CC..Hα-helixtrans-67.1-34.1174.100000112.9V200 R201 E202 L212 Y229V200-A204 PolarHBondContact O-N 3.48Å; R201-A204 WeakPolarHBondContact O-CB 3.36Å; R201-A204 PolarHBondContact O-N 3.06Å; R201-A204 VanDerWaalsContact O-N 3.15Å; E202-A204 VanDerWaalsContact C-N 3.25Å; E202-A204 PolarHBondContact O-N 2.81Å; A204-L212 HydrophobicContact CB-CB 4.42Å; A204-L212 HydrophobicContact CB-CD1 3.71Å; A204-Y229 HydrophobicContact CB-CD2 3.81Å; A204-Y229 HydrophobicContact CB-CE2 4.06Å
205F92.1Very high91.2Very high2 Ų230.7 Ų30.71%0.00914%0.144CC..Hα-helixtrans-69.5-39.5172.5-73-56.7000112.6R201 E202 N207 Y229 G232 I233 Y236 H239R201-F205 HydrophobicContact CG-CD2 4.28Å; R201-F205 HydrophobicContact CG-CE2 3.75Å; R201-F205 HydrophobicContact CG-CZ 4.38Å; R201-F205 WeakPolarHBondContact O-CD2 3.38Å; R201-F205 PolarHBondContact O-N 2.99Å; R201-F205 VanDerWaalsContact O-N 3.1Å; E202-F205 WeakPolarHBondContact O-CB 3.2Å; E202-F205 PolarHBondContact O-N 2.85Å; E202-F205 VanDerWaalsContact O-N 3.09Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 3.08Å; F205-Y229 AromaticContact CD1-CD1 3.99Å; F205-Y229 HydrophobicContact CD1-CD1 3.99Å; F205-Y229 AromaticContact CD1-CD2 3.41Å; F205-Y229 HydrophobicContact CD1-CD2 3.41Å; F205-Y229 VanDerWaalsContact CD1-CD2 3.41Å; F205-Y229 HydrophobicContact CD1-CE1 4.36Å; F205-Y229 AromaticContact CD1-CE2 3.82Å; F205-Y229 HydrophobicContact CD1-CE2 3.82Å; F205-Y229 AromaticContact CD1-CG 3.5Å; F205-Y229 HydrophobicContact CD1-CG 3.5Å; F205-Y229 VanDerWaalsContact CD1-CG 3.5Å; F205-Y229 HydrophobicContact CD2-CE2 4.3Å; F205-Y229 AromaticContact CE1-CD1 3.42Å; F205-Y229 HydrophobicContact CE1-CD1 3.42Å; F205-Y229 VanDerWaalsContact CE1-CD1 3.42Å; F205-Y229 AromaticContact CE1-CD2 3.49Å; F205-Y229 HydrophobicContact CE1-CD2 3.49Å; F205-Y229 VanDerWaalsContact CE1-CD2 3.49Å; F205-Y229 AromaticContact CE1-CE1 3.46Å; F205-Y229 HydrophobicContact CE1-CE1 3.46Å; F205-Y229 VanDerWaalsContact CE1-CE1 3.46Å; F205-Y229 AromaticContact CE1-CE2 3.51Å; F205-Y229 HydrophobicContact CE1-CE2 3.51Å; F205-Y229 AromaticContact CE1-CG 3.43Å; F205-Y229 HydrophobicContact CE1-CG 3.43Å; F205-Y229 VanDerWaalsContact CE1-CG 3.43Å; F205-Y229 AromaticContact CE1-CZ 3.5Å; F205-Y229 HydrophobicContact CE2-CE2 4.03Å; F205-Y229 AromaticContact CG-CD2 3.96Å; F205-Y229 HydrophobicContact CG-CD2 3.96Å; F205-Y229 HydrophobicContact CG-CE2 4.2Å; F205-Y229 HydrophobicContact CG-CG 4.46Å; F205-Y229 HydrophobicContact CZ-CD1 4.21Å; F205-Y229 HydrophobicContact CZ-CD2 4.09Å; F205-Y229 AromaticContact CZ-CE1 3.76Å; F205-Y229 HydrophobicContact CZ-CE1 3.76Å; F205-Y229 AromaticContact CZ-CE2 3.63Å; F205-Y229 HydrophobicContact CZ-CE2 3.63Å; F205-Y229 HydrophobicContact CZ-CG 4.36Å; F205-Y229 AromaticContact CZ-CZ 3.44Å; F205-Y229 VanDerWaalsContact CZ-CZ 3.44Å; F205-G232 CarbonylContact O-C 3.48Å; F205-G232 WeakPolarHBondContact O-CA 3.02Å; F205-I233 PolarHBondContact O-N 3.4Å; F205-Y236 HydrophobicContact CB-CD1 3.84Å; F205-Y236 HydrophobicContact CB-CG 3.82Å; F205-Y236 HydrophobicContact CD1-CG 4.33Å; F205-Y236 HydrophobicContact CD2-CD1 4.04Å; F205-Y236 AromaticContact CD2-CD2 3.4Å; F205-Y236 HydrophobicContact CD2-CD2 3.4Å; F205-Y236 VanDerWaalsContact CD2-CD2 3.4Å; F205-Y236 HydrophobicContact CD2-CE1 4.44Å; F205-Y236 AromaticContact CD2-CE2 3.87Å; F205-Y236 HydrophobicContact CD2-CE2 3.87Å; F205-Y236 AromaticContact CD2-CG 3.52Å; F205-Y236 HydrophobicContact CD2-CG 3.52Å; F205-Y236 AromaticContact CE2-CD2 3.58Å; F205-Y236 HydrophobicContact CE2-CD2 3.58Å; F205-Y236 HydrophobicContact CE2-CE2 4.04Å; F205-Y236 HydrophobicContact CE2-CG 4.11Å; F205-Y236 HydrophobicContact CG-CD1 4.15Å; F205-Y236 HydrophobicContact CG-CD2 4.01Å; F205-Y236 AromaticContact CG-CG 3.65Å; F205-Y236 HydrophobicContact CG-CG 3.65Å; F205-Y236 HydrophobicContact CZ-CD2 4.31Å; F205-H239 HydrophobicContact CE1-CB 4.39Å; F205-H239 HydrophobicContact CE2-CB 4.19Å; F205-H239 HydrophobicContact CZ-CB 3.63Å; F205-H239 AromaticContact CZ-CG 3.84Å
206L89.7Confident91.6Very high4 Ų426.1 Ų26.12%0.02113%0.125CC..Hα-helixtrans-75.5-15.9-176.5-66.5170.2000113.9E202 L203 I233 F280 N283 K337E202-L206 HydrophobicContact CG-CD1 3.98Å; E202-L206 WeakPolarHBondContact O-CG 3.38Å; E202-L206 PolarHBondContact O-N 3.1Å; L203-L206 PolarHBondContact O-N 2.96Å; L206-I233 HydrophobicContact CD2-CG2 4.09Å; L206-F280 HydrophobicContact CD1-CD1 3.56Å; L206-F280 HydrophobicContact CD1-CE1 3.75Å; L206-F280 HydrophobicContact CD1-CG 4.04Å; L206-F280 HydrophobicContact CD1-CZ 4.35Å; L206-F280 HydrophobicContact CD2-CB 4.09Å; L206-F280 HydrophobicContact CD2-CD1 4.04Å; L206-F280 HydrophobicContact CD2-CD2 3.63Å; L206-F280 HydrophobicContact CD2-CE1 4.41Å; L206-F280 HydrophobicContact CD2-CE2 4.03Å; L206-F280 HydrophobicContact CD2-CG 3.64Å; L206-F280 HydrophobicContact CD2-CZ 4.41Å; L206-F280 HydrophobicContact CG-CD1 4.45Å; L206-N283 HydrophobicContact CD1-CB 4.44Å; L206-K337 PolarHBondContact O-NZ 3.17Å
207N88Confident91.7Very high10 Ų1029 Ų295%0.05314%0.137CC..SBendtrans-122.984.3179.4-59.8-77.3000108.9L203 F205 G209 L210 N283L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.14Å; L203-N207 PolarHBondContact O-ND2 2.92Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 3.08Å; N207-G209 PolarHBondContact O-N 3.07Å; N207-L210 HydrophobicContact CB-CB 3.88Å; N207-L210 HydrophobicContact CB-CD2 3.78Å; N207-L210 HydrophobicContact CB-CG 4.5Å; N207-L210 VanDerWaalsContact O-CB 3.29Å; N207-L210 WeakPolarHBondContact O-CB 3.03Å; N207-L210 PolarHBondContact O-N 2.92Å; N207-N283 PolarHBondContact ND2-ND2 3.06Å; N207-N283 PolarHBondContact OD1-ND2 2.83Å
208R86.9Confident91.7Very high166 Ų16632.7 Ų32.763%0.62615%0.151SC*.THydrogen-bonded Turntrans-49.1122.9-177.2-175-179.7179.3-172.8-4.7111.7L210 E230R208-L210 VanDerWaalsContact C-N 3.32Å; R208-L210 PolarHBondContact O-N 3.42Å; R208-E230 VanDerWaalsContact CG-O 3.25Å; R208-E230 WeakPolarHBondContact CG-O 3.47Å; R208-E230 PolarHBondContact NE-O 2.74Å
209G84.2Confident91.4Very high37 Ų3735.1 Ų35.138%0.38116%0.158SC..THydrogen-bonded Turntrans79.32178.200000115.9N207 H228 Y229N207-G209 PolarHBondContact O-N 3.07Å; G209-H228 PolarHBondContact O-NE2 3.36Å; G209-Y229 PolarHBondContact N-O 3.23Å
210L91Very high90.9Very high8 Ų842.8 Ų42.84%0.04220%0.196CC..  trans-83.2128.4173.5-176.857.2000110.1I57 A60 I68 N207 R208 L212I57-L210 HydrophobicContact CG1-CD2 4.23Å; A60-L210 HydrophobicContact CB-CD1 3.62Å; A60-L210 HydrophobicContact CB-CD2 3.66Å; A60-L210 HydrophobicContact CB-CG 4.24Å; I68-L210 HydrophobicContact CD1-CD1 4.48Å; I68-L210 HydrophobicContact CD1-CD2 3.93Å; I68-L210 HydrophobicContact CG1-CD1 4.44Å; N207-L210 HydrophobicContact CB-CB 3.88Å; N207-L210 HydrophobicContact CB-CD2 3.78Å; N207-L210 HydrophobicContact CB-CG 4.5Å; N207-L210 VanDerWaalsContact O-CB 3.29Å; N207-L210 WeakPolarHBondContact O-CB 3.03Å; N207-L210 PolarHBondContact O-N 2.92Å; R208-L210 VanDerWaalsContact C-N 3.32Å; R208-L210 PolarHBondContact O-N 3.42Å; L210-L212 HydrophobicContact CB-CD1 4.19Å; L210-L212 HydrophobicContact CD2-CD1 3.77Å; L210-L212 HydrophobicContact CG-CD1 3.64Å; L210-L212 HydrophobicContact CG-CG 4.42Å
211K94.2Very high90.4Very high72 Ų7251 Ų5131%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-88.7111.9174.6-175.2-177.5178-173.80109.8T66 H67 I68 E226 Y227 H228T66-K211 PolarHBondContact O-N 3.34Å; T66-K211 VanDerWaalsContact O-N 3.08Å; H67-K211 VanDerWaalsContact CA-O 3.31Å; H67-K211 WeakPolarHBondContact CA-O 3.18Å; H67-K211 PolarHBondContact ND1-O 3.33Å; H67-K211 VanDerWaalsContact ND1-O 3.08Å; I68-K211 PolarHBondContact N-O 2.99Å; K211-E226 WeakPolarHBondContact CE-OE1 3.24Å; K211-E226 IonicContact NZ-OE1 3.25Å; K211-E226 PolarHBondContact NZ-OE1 3.14Å; K211-Y227 WeakPolarHBondContact CA-O 3.34Å; K211-H228 HydrophobicContact CG-CB 4.43Å
212L95Very high90Very high1 Ų151.7 Ų51.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-106.8139.4169.5-67.892.4000110.8I68 V200 L203 A204 L210 Y227I68-L212 HydrophobicContact CB-CG 4.26Å; I68-L212 CarbonylContact O-C 3.56Å; I68-L212 WeakPolarHBondContact O-CA 3.22Å; V200-L212 HydrophobicContact CG1-CB 3.54Å; V200-L212 HydrophobicContact CG1-CD2 4Å; V200-L212 HydrophobicContact CG1-CG 4.43Å; L203-L212 HydrophobicContact CB-CD2 3.97Å; A204-L212 HydrophobicContact CB-CB 4.42Å; A204-L212 HydrophobicContact CB-CD1 3.71Å; L210-L212 HydrophobicContact CB-CD1 4.19Å; L210-L212 HydrophobicContact CD2-CD1 3.77Å; L210-L212 HydrophobicContact CG-CD1 3.64Å; L210-L212 HydrophobicContact CG-CG 4.42Å; L212-Y227 PolarHBondContact N-O 2.78Å; L212-Y227 PolarHBondContact O-N 3.35Å
213S96.1Very high89.9Confident2 Ų252.9 Ų52.91%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-130.7147.817753.70000110.8H67 I68 H69 V70 R225H67-S213 PolarHBondContact CE1-OG 2.59Å; H67-S213 PolarHBondContact NE2-OG 3.31Å; I68-S213 PolarHBondContact O-N 3.31Å; I68-S213 PolarHBondContact O-OG 3.29Å; H69-S213 WeakPolarHBondContact CA-OG 3.39Å; H69-S213 WeakPolarHBondContact CB-OG 3.11Å; H69-S213 PolarHBondContact CD2-OG 2.93Å; V70-S213 PolarHBondContact N-O 3.15Å; S213-R225 CarbonylContact C-O 3.57Å; S213-R225 VanDerWaalsContact CA-O 3.32Å; S213-R225 WeakPolarHBondContact CA-O 3.45Å
214I96.4Very high90Very high0 Ų057.1 Ų57.10%028%0.275CS..EExtended strand (participates in β ladder)trans-134.6132.4174.4-166.3-179.8000110.7V70 F193 L196 A197 V200 R225 Y227V70-I214 HydrophobicContact CB-CB 4.48Å; V70-I214 HydrophobicContact CB-CG1 4.1Å; V70-I214 HydrophobicContact CG1-CD1 4.48Å; V70-I214 HydrophobicContact CG1-CG1 4.21Å; V70-I214 CarbonylContact O-C 3.52Å; V70-I214 WeakPolarHBondContact O-CA 3Å; F193-I214 HydrophobicContact CD2-CD1 3.94Å; F193-I214 HydrophobicContact CD2-CG1 4.17Å; F193-I214 HydrophobicContact CE2-CB 4.34Å; F193-I214 HydrophobicContact CE2-CD1 3.92Å; F193-I214 HydrophobicContact CE2-CG1 3.73Å; F193-I214 HydrophobicContact CE2-CG2 3.99Å; F193-I214 HydrophobicContact CZ-CG2 4.12Å; L196-I214 HydrophobicContact CB-CD1 3.47Å; L196-I214 VanDerWaalsContact CB-CD1 3.47Å; A197-I214 HydrophobicContact CB-CD1 4.18Å; A197-I214 HydrophobicContact CB-CG2 3.78Å; V200-I214 HydrophobicContact CG1-CB 4.45Å; V200-I214 HydrophobicContact CG2-CB 4.46Å; V200-I214 HydrophobicContact CG2-CD1 4.27Å; I214-R225 HydrophobicContact CG2-CB 3.88Å; I214-R225 PolarHBondContact N-O 3.42Å; I214-R225 PolarHBondContact O-N 2.69Å; I214-Y227 HydrophobicContact CG2-CE2 4.04Å
215E96.8Very high90Very high40 Ų4060.5 Ų60.519%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-123.5133-178.8-170.7179.7-166.200110.7H69 V70 V71 V72 K217 P222 V223 L224H69-E215 IonicContact CE1-OE2 2.69Å; H69-E215 IonicContact NE2-OE2 3.23Å; V70-E215 PolarHBondContact O-N 3Å; V71-E215 WeakPolarHBondContact CA-O 3.1Å; V71-E215 HydrophobicContact CG1-CB 4.4Å; V71-E215 HydrophobicContact CG2-CB 4.38Å; V72-E215 PolarHBondContact N-O 3.06Å; E215-K217 HydrophobicContact CG-CG 4.19Å; E215-K217 WeakPolarHBondContact OE2-CE 3.25Å; E215-P222 HydrophobicContact CG-CB 4.4Å; E215-V223 WeakPolarHBondContact CA-O 3.3Å; E215-L224 HydrophobicContact CB-CD1 3.96Å; E215-L224 HydrophobicContact CG-CD1 4.38Å
216D95.4Very high90.1Very high10 Ų1065.5 Ų65.55%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-106.6114.9168.7-159.3-25.3000109.7F193 R218 P222 V223F193-D216 HydrophobicContact CB-CB 4.47Å; F193-D216 VanDerWaalsContact CB-OD2 3.23Å; F193-D216 WeakPolarHBondContact CB-OD2 3.32Å; F193-D216 HydrophobicContact CD1-CB 4.32Å; F193-D216 HydrophobicContact CD2-CB 3.52Å; F193-D216 HydrophobicContact CE1-CB 4.43Å; F193-D216 HydrophobicContact CE2-CB 3.62Å; F193-D216 HydrophobicContact CG-CB 3.86Å; F193-D216 WeakPolarHBondContact CG-OD2 3.27Å; F193-D216 HydrophobicContact CZ-CB 4.09Å; D216-R218 VanDerWaalsContact OD1-CB 3.32Å; D216-R218 WeakPolarHBondContact OD1-CB 3.31Å; D216-R218 WeakPolarHBondContact OD1-CG 3.01Å; D216-R218 IonicContact OD1-CZ 3.68Å; D216-R218 PolarHBondContact OD1-N 2.85Å; D216-R218 IonicContact OD1-NE 3.56Å; D216-R218 PolarHBondContact OD1-NE 2.77Å; D216-R218 IonicContact OD1-NH2 2.76Å; D216-R218 IonicContact OD2-CZ 3.5Å; D216-R218 IonicContact OD2-NE 3.73Å; D216-R218 PolarHBondContact OD2-NE 3.09Å; D216-R218 IonicContact OD2-NH2 2.89Å; D216-R218 PolarHBondContact OD2-NH2 2.82Å; D216-P222 CarbonylContact O-C 3.38Å; D216-P222 VanDerWaalsContact O-CA 3.23Å; D216-P222 WeakPolarHBondContact O-CA 3.48Å; D216-V223 HydrophobicContact CB-CB 4.35Å; D216-V223 PolarHBondContact N-O 2.9Å; D216-V223 PolarHBondContact O-N 3.15Å
217K94.8Very high90.3Very high61 Ų6166.2 Ų66.227%0.26531%0.314SS..  trans-95.82.1178.6-64.2-174.7-171.1157.70113.9V71 V72 E73 E74 E215 E219 P222V71-K217 HydrophobicContact CG1-CD 4.01Å; V71-K217 HydrophobicContact CG1-CG 4.17Å; V72-K217 PolarHBondContact O-N 3.38Å; E73-K217 IonicContact OE1-NZ 3.55Å; E73-K217 WeakPolarHBondContact OE2-CD 3.31Å; E73-K217 IonicContact OE2-NZ 3.62Å; E73-K217 PolarHBondContact OE2-NZ 2.81Å; E74-K217 HydrophobicContact CG-CB 4.12Å; E74-K217 WeakPolarHBondContact CG-O 3.46Å; E215-K217 HydrophobicContact CG-CG 4.19Å; E215-K217 WeakPolarHBondContact OE2-CE 3.25Å; K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 PolarHBondContact O-N 3.49Å; K217-P222 HydrophobicContact CG-CB 4.5Å
218R90.9Very high90.6Very high78 Ų7870.3 Ų70.329%0.29433%0.332SS..SBendtrans-75.2-19.3-176.6-60.6172.9-63.3178.60.3113.7V72 E73 N76 F191 D216V72-R218 HydrophobicContact CG1-CG 4.43Å; E73-R218 WeakPolarHBondContact O-CG 3.4Å; N76-R218 WeakPolarHBondContact OD1-CD 3.36Å; N76-R218 PolarHBondContact OD1-NH1 2.88Å; F191-R218 PolarHBondContact O-NH1 2.93Å; F191-R218 PolarHBondContact O-NH2 2.79Å; D216-R218 VanDerWaalsContact OD1-CB 3.32Å; D216-R218 WeakPolarHBondContact OD1-CB 3.31Å; D216-R218 WeakPolarHBondContact OD1-CG 3.01Å; D216-R218 IonicContact OD1-CZ 3.68Å; D216-R218 PolarHBondContact OD1-N 2.85Å; D216-R218 IonicContact OD1-NE 3.56Å; D216-R218 PolarHBondContact OD1-NE 2.77Å; D216-R218 IonicContact OD1-NH2 2.76Å; D216-R218 IonicContact OD2-CZ 3.5Å; D216-R218 IonicContact OD2-NE 3.73Å; D216-R218 PolarHBondContact OD2-NE 3.09Å; D216-R218 IonicContact OD2-NH2 2.89Å; D216-R218 PolarHBondContact OD2-NH2 2.82Å
219E83Confident90.7Very high117 Ų11765 Ų6555%0.54731%0.312SS..SBendtrans-88.7155.2175.3-64.4-162178.600112K217 K221K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 PolarHBondContact O-N 3.49Å; E219-K221 PolarHBondContact O-N 2.87Å
220E77.4Confident90.9Very high206 Ų20670 Ų7096%0.96333%0.326SS*.SBendtrans-54-30.3177.1-77.5-172.3165.900113.2
221K82.1Confident90.6Very high174 Ų17471 Ų7176%0.75734%0.339SS*.SBendtrans-116113170.4-71.6-176.3-179.6177.70108.3E219 V223E219-K221 PolarHBondContact O-N 2.87Å; K221-V223 PolarHBondContact O-N 3.31Å
222P83.6Confident90.4Very high75 Ų7567.7 Ų67.749%0.48733%0.325SS..  trans-54.7136.7178.7-27.934.7000112.4E215 D216 K217E215-P222 HydrophobicContact CG-CB 4.4Å; D216-P222 CarbonylContact O-C 3.38Å; D216-P222 VanDerWaalsContact O-CA 3.23Å; D216-P222 WeakPolarHBondContact O-CA 3.48Å; K217-P222 HydrophobicContact CG-CB 4.5Å
223V88.1Confident90.3Very high46 Ų4667.7 Ų67.728%0.27933%0.325SS..EExtended strand (participates in β ladder)trans-100.6103.1179.7-178.70000108.9F193 E215 D216 K221F193-V223 HydrophobicContact CE1-CB 4.42Å; F193-V223 HydrophobicContact CE1-CG1 3.89Å; F193-V223 HydrophobicContact CZ-CB 4.43Å; F193-V223 HydrophobicContact CZ-CG1 4.09Å; F193-V223 WeakPolarHBondContact CZ-O 3.27Å; E215-V223 WeakPolarHBondContact CA-O 3.3Å; D216-V223 HydrophobicContact CB-CB 4.35Å; D216-V223 PolarHBondContact N-O 2.9Å; D216-V223 PolarHBondContact O-N 3.15Å; K221-V223 PolarHBondContact O-N 3.31Å
224L92.5Very high90.2Very high90 Ų9070.1 Ų70.147%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-96130175.5-179.965.4000110.9E215 E226E215-L224 HydrophobicContact CB-CD1 3.96Å; E215-L224 HydrophobicContact CG-CD1 4.38Å; L224-E226 HydrophobicContact CD1-CG 4.39Å; L224-E226 HydrophobicContact CD2-CG 4.25Å; L224-E226 HydrophobicContact CG-CG 4.11Å
225R93Very high90Very high71 Ų7171 Ų7127%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-123.1126.5170.2-62.6-171.1-179.8172.87110.3F193 E194 S213 I214 Y227F193-R225 HydrophobicContact CZ-CG 4.24Å; E194-R225 VanDerWaalsContact CD-NH2 3.28Å; E194-R225 IonicContact OE1-CZ 3.94Å; E194-R225 IonicContact OE1-NH1 2.91Å; E194-R225 IonicContact OE1-NH2 3.95Å; E194-R225 PolarHBondContact OE1-NH2 3.25Å; E194-R225 IonicContact OE2-CZ 3.8Å; E194-R225 VanDerWaalsContact OE2-CZ 3.31Å; E194-R225 IonicContact OE2-NH1 3.4Å; E194-R225 PolarHBondContact OE2-NH1 3.36Å; E194-R225 IonicContact OE2-NH2 3.65Å; E194-R225 PolarHBondContact OE2-NH2 3.46Å; E194-R225 VanDerWaalsContact OE2-NH2 3.08Å; S213-R225 CarbonylContact C-O 3.57Å; S213-R225 VanDerWaalsContact CA-O 3.32Å; S213-R225 WeakPolarHBondContact CA-O 3.45Å; I214-R225 HydrophobicContact CG2-CB 3.88Å; I214-R225 PolarHBondContact N-O 3.42Å; I214-R225 PolarHBondContact O-N 2.69Å; R225-Y227 HydrophobicContact CB-CE1 4.44Å; R225-Y227 HydrophobicContact CB-CE2 4.08Å; R225-Y227 WeakPolarHBondContact CD-OH 3.49Å
226E94.1Very high89.9Confident108 Ų10869.9 Ų69.951%0.50534%0.336SS..EExtended strand (participates in β ladder)trans-116.1136-179.9-60.4-176.799.500110.4K211 L224K211-E226 WeakPolarHBondContact CE-OE1 3.24Å; K211-E226 IonicContact NZ-OE1 3.25Å; K211-E226 PolarHBondContact NZ-OE1 3.14Å; L224-E226 HydrophobicContact CD1-CG 4.39Å; L224-E226 HydrophobicContact CD2-CG 4.25Å; L224-E226 HydrophobicContact CG-CG 4.11Å
227Y94Very high89.8Confident19 Ų1969.4 Ų69.48%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-129.2123-177.1-52.4-66.4000110.1A197 V200 R201 K211 L212 I214 R225 Y229A197-Y227 PolarHBondContact O-OH 3.06Å; V200-Y227 HydrophobicContact CB-CD2 4.48Å; V200-Y227 HydrophobicContact CB-CE2 4.35Å; V200-Y227 HydrophobicContact CG1-CD2 3.85Å; V200-Y227 HydrophobicContact CG1-CE2 4.1Å; R201-Y227 HydrophobicContact CB-CD1 3.81Å; R201-Y227 HydrophobicContact CB-CD2 4.01Å; R201-Y227 HydrophobicContact CB-CE1 3.74Å; R201-Y227 HydrophobicContact CB-CE2 3.91Å; R201-Y227 HydrophobicContact CB-CG 3.93Å; R201-Y227 HydrophobicContact CG-CD1 3.61Å; R201-Y227 HydrophobicContact CG-CE1 3.76Å; R201-Y227 HydrophobicContact CG-CG 4.07Å; K211-Y227 WeakPolarHBondContact CA-O 3.34Å; L212-Y227 PolarHBondContact N-O 2.78Å; L212-Y227 PolarHBondContact O-N 3.35Å; I214-Y227 HydrophobicContact CG2-CE2 4.04Å; R225-Y227 HydrophobicContact CB-CE1 4.44Å; R225-Y227 HydrophobicContact CB-CE2 4.08Å; R225-Y227 WeakPolarHBondContact CD-OH 3.49Å; Y227-Y229 HydrophobicContact CD1-CE2 4.4Å
228H92.8Very high89.6Confident96 Ų9670.6 Ų70.644%0.44434%0.339SS..  trans-149.7115.3177.9-179.7-132.1000108.9G209 K211G209-H228 PolarHBondContact O-NE2 3.36Å; K211-H228 HydrophobicContact CG-CB 4.43Å
229Y90.5Very high89.5Confident53 Ų5369.5 Ų69.521%0.20834%0.338CS..  trans-128.498.5-172.5-59.6-71.3000111.6R201 A204 F205 G209 Y227 G231 G232R201-Y229 HydrophobicContact CG-CE2 3.92Å; A204-Y229 HydrophobicContact CB-CD2 3.81Å; A204-Y229 HydrophobicContact CB-CE2 4.06Å; F205-Y229 AromaticContact CD1-CD1 3.99Å; F205-Y229 HydrophobicContact CD1-CD1 3.99Å; F205-Y229 AromaticContact CD1-CD2 3.41Å; F205-Y229 HydrophobicContact CD1-CD2 3.41Å; F205-Y229 VanDerWaalsContact CD1-CD2 3.41Å; F205-Y229 HydrophobicContact CD1-CE1 4.36Å; F205-Y229 AromaticContact CD1-CE2 3.82Å; F205-Y229 HydrophobicContact CD1-CE2 3.82Å; F205-Y229 AromaticContact CD1-CG 3.5Å; F205-Y229 HydrophobicContact CD1-CG 3.5Å; F205-Y229 VanDerWaalsContact CD1-CG 3.5Å; F205-Y229 HydrophobicContact CD2-CE2 4.3Å; F205-Y229 AromaticContact CE1-CD1 3.42Å; F205-Y229 HydrophobicContact CE1-CD1 3.42Å; F205-Y229 VanDerWaalsContact CE1-CD1 3.42Å; F205-Y229 AromaticContact CE1-CD2 3.49Å; F205-Y229 HydrophobicContact CE1-CD2 3.49Å; F205-Y229 VanDerWaalsContact CE1-CD2 3.49Å; F205-Y229 AromaticContact CE1-CE1 3.46Å; F205-Y229 HydrophobicContact CE1-CE1 3.46Å; F205-Y229 VanDerWaalsContact CE1-CE1 3.46Å; F205-Y229 AromaticContact CE1-CE2 3.51Å; F205-Y229 HydrophobicContact CE1-CE2 3.51Å; F205-Y229 AromaticContact CE1-CG 3.43Å; F205-Y229 HydrophobicContact CE1-CG 3.43Å; F205-Y229 VanDerWaalsContact CE1-CG 3.43Å; F205-Y229 AromaticContact CE1-CZ 3.5Å; F205-Y229 HydrophobicContact CE2-CE2 4.03Å; F205-Y229 AromaticContact CG-CD2 3.96Å; F205-Y229 HydrophobicContact CG-CD2 3.96Å; F205-Y229 HydrophobicContact CG-CE2 4.2Å; F205-Y229 HydrophobicContact CG-CG 4.46Å; F205-Y229 HydrophobicContact CZ-CD1 4.21Å; F205-Y229 HydrophobicContact CZ-CD2 4.09Å; F205-Y229 AromaticContact CZ-CE1 3.76Å; F205-Y229 HydrophobicContact CZ-CE1 3.76Å; F205-Y229 AromaticContact CZ-CE2 3.63Å; F205-Y229 HydrophobicContact CZ-CE2 3.63Å; F205-Y229 HydrophobicContact CZ-CG 4.36Å; F205-Y229 AromaticContact CZ-CZ 3.44Å; F205-Y229 VanDerWaalsContact CZ-CZ 3.44Å; G209-Y229 PolarHBondContact N-O 3.23Å; Y227-Y229 HydrophobicContact CD1-CE2 4.4Å; Y229-G231 VanDerWaalsContact C-N 3.26Å; Y229-G231 PolarHBondContact O-N 3.49Å; Y229-G232 PolarHBondContact O-N 3.05Å; Y229-G232 VanDerWaalsContact O-N 3.12Å
230E87.7Confident89.7Confident142 Ų14265 Ų6566%0.66432%0.317SS*.THydrogen-bonded Turntrans-66.1-26.7178.5-66.4-171171.800113.4R208 G232R208-E230 VanDerWaalsContact CG-O 3.25Å; R208-E230 WeakPolarHBondContact CG-O 3.47Å; R208-E230 PolarHBondContact NE-O 2.74Å; E230-G232 VanDerWaalsContact C-N 3.28Å
231G85Confident90.3Very high31 Ų3155.3 Ų55.332%0.3227%0.272SS..THydrogen-bonded Turntrans-80.1-4.3174.800000114.2Y229 I233 K234 S235Y229-G231 VanDerWaalsContact C-N 3.26Å; Y229-G231 PolarHBondContact O-N 3.49Å; G231-I233 PolarHBondContact O-N 2.98Å; G231-K234 VanDerWaalsContact O-CB 3.26Å; G231-K234 WeakPolarHBondContact O-CB 3.45Å; G231-K234 PolarHBondContact O-N 2.77Å; G231-K234 VanDerWaalsContact O-N 3.1Å; G231-S235 VanDerWaalsContact C-OG 3.23Å; G231-S235 WeakPolarHBondContact CA-OG 3.32Å
232G90.6Very high90.4Very high2 Ų253.3 Ų53.32%0.02127%0.265CS..THydrogen-bonded Turntrans53.2-130.9-179.400000112.5F205 Y229 E230 K234 S235 Y236F205-G232 CarbonylContact O-C 3.48Å; F205-G232 WeakPolarHBondContact O-CA 3.02Å; Y229-G232 PolarHBondContact O-N 3.05Å; Y229-G232 VanDerWaalsContact O-N 3.12Å; E230-G232 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 3.45Å; G232-S235 PolarHBondContact N-OG 2.8Å; G232-S235 WeakPolarHBondContact O-CB 3.48Å; G232-S235 PolarHBondContact O-N 2.97Å; G232-S235 VanDerWaalsContact O-N 3.09Å; G232-S235 PolarHBondContact O-OG 3.3Å; G232-Y236 PolarHBondContact O-N 2.74Å
233I92.8Very high89.9Confident1 Ų151.2 Ų51.21%0.00525%0.25CC..Hα-helixtrans-63.6-19.4-179.862.6164.6000114.3F205 L206 G231 Y236 V237 F253 E264 A266 V333F205-I233 PolarHBondContact O-N 3.4Å; L206-I233 HydrophobicContact CD2-CG2 4.09Å; G231-I233 PolarHBondContact O-N 2.98Å; I233-Y236 WeakPolarHBondContact O-CB 3.38Å; I233-Y236 PolarHBondContact O-N 2.8Å; I233-V237 PolarHBondContact O-N 2.73Å; I233-V237 VanDerWaalsContact O-N 3.1Å; I233-F253 HydrophobicContact CD1-CD2 4.32Å; I233-F253 HydrophobicContact CD1-CE2 3.93Å; I233-F253 HydrophobicContact CG1-CD2 4.11Å; I233-F253 HydrophobicContact CG1-CE2 3.72Å; I233-E264 HydrophobicContact CD1-CB 3.61Å; I233-A266 HydrophobicContact CB-CB 4.3Å; I233-A266 HydrophobicContact CD1-CB 3.94Å; I233-A266 HydrophobicContact CG1-CB 3.88Å; I233-A266 WeakPolarHBondContact O-CB 3.46Å; I233-V333 HydrophobicContact CB-CB 4.35Å; I233-V333 HydrophobicContact CB-CG1 3.84Å; I233-V333 HydrophobicContact CG2-CG1 3.78Å
234K93.5Very high89.4Confident53 Ų5352.4 Ų52.423%0.2325%0.251CS..Hα-helixtrans-61.6-49171-172.4-176.8178.4179.80110.1G231 G232 Y236 V237 E238 E250 P251G231-K234 VanDerWaalsContact O-CB 3.26Å; G231-K234 WeakPolarHBondContact O-CB 3.45Å; G231-K234 PolarHBondContact O-N 2.77Å; G231-K234 VanDerWaalsContact O-N 3.1Å; G232-K234 PolarHBondContact O-N 3.45Å; K234-Y236 PolarHBondContact O-N 3.24Å; K234-V237 PolarHBondContact O-N 3.29Å; K234-V237 VanDerWaalsContact O-N 3.16Å; K234-E238 PolarHBondContact O-N 2.94Å; K234-E238 VanDerWaalsContact O-N 3.11Å; K234-E250 IonicContact NZ-OE2 2.84Å; K234-E250 PolarHBondContact NZ-OE2 3.15Å; K234-P251 HydrophobicContact CG-CB 4.03Å; K234-P251 HydrophobicContact CG-CG 3.94Å
235S92.5Very high88.9Confident19 Ų1950.1 Ų50.113%0.13325%0.245CC..Hα-helixtrans-63.3-27.9175-19.40000111.9G231 G232 E238 H239G231-S235 VanDerWaalsContact C-OG 3.23Å; G231-S235 WeakPolarHBondContact CA-OG 3.32Å; G232-S235 PolarHBondContact N-OG 2.8Å; G232-S235 WeakPolarHBondContact O-CB 3.48Å; G232-S235 PolarHBondContact O-N 2.97Å; G232-S235 VanDerWaalsContact O-N 3.09Å; G232-S235 PolarHBondContact O-OG 3.3Å; S235-E238 PolarHBondContact O-N 3.16Å; S235-H239 WeakPolarHBondContact O-CB 3.41Å; S235-H239 PolarHBondContact O-N 2.93Å
236Y93.5Very high88.8Confident16 Ų1649 Ų496%0.06325%0.247CC..Hα-helixtrans-67.6-44.7175-158.6179.7000111.1E202 F205 G232 I233 K234 E238 H239 L240 L278 F280 V333E202-Y236 HydrophobicContact CG-CE1 3.78Å; E202-Y236 PolarHBondContact OE2-OH 3.02Å; F205-Y236 HydrophobicContact CB-CD1 3.84Å; F205-Y236 HydrophobicContact CB-CG 3.82Å; F205-Y236 HydrophobicContact CD1-CG 4.33Å; F205-Y236 HydrophobicContact CD2-CD1 4.04Å; F205-Y236 AromaticContact CD2-CD2 3.4Å; F205-Y236 HydrophobicContact CD2-CD2 3.4Å; F205-Y236 VanDerWaalsContact CD2-CD2 3.4Å; F205-Y236 HydrophobicContact CD2-CE1 4.44Å; F205-Y236 AromaticContact CD2-CE2 3.87Å; F205-Y236 HydrophobicContact CD2-CE2 3.87Å; F205-Y236 AromaticContact CD2-CG 3.52Å; F205-Y236 HydrophobicContact CD2-CG 3.52Å; F205-Y236 AromaticContact CE2-CD2 3.58Å; F205-Y236 HydrophobicContact CE2-CD2 3.58Å; F205-Y236 HydrophobicContact CE2-CE2 4.04Å; F205-Y236 HydrophobicContact CE2-CG 4.11Å; F205-Y236 HydrophobicContact CG-CD1 4.15Å; F205-Y236 HydrophobicContact CG-CD2 4.01Å; F205-Y236 AromaticContact CG-CG 3.65Å; F205-Y236 HydrophobicContact CG-CG 3.65Å; F205-Y236 HydrophobicContact CZ-CD2 4.31Å; G232-Y236 PolarHBondContact O-N 2.74Å; I233-Y236 WeakPolarHBondContact O-CB 3.38Å; I233-Y236 PolarHBondContact O-N 2.8Å; K234-Y236 PolarHBondContact O-N 3.24Å; Y236-E238 VanDerWaalsContact C-N 3.32Å; Y236-E238 PolarHBondContact O-N 3.35Å; Y236-H239 WeakPolarHBondContact O-CB 3.35Å; Y236-H239 PolarHBondContact O-N 2.89Å; Y236-L240 HydrophobicContact CD2-CD1 4.07Å; Y236-L240 HydrophobicContact CD2-CD2 4.39Å; Y236-L240 HydrophobicContact CD2-CG 3.88Å; Y236-L240 HydrophobicContact CE2-CD1 4.12Å; Y236-L240 HydrophobicContact CE2-CD2 3.9Å; Y236-L240 HydrophobicContact CE2-CG 3.89Å; Y236-L240 VanDerWaalsContact O-CG 3.26Å; Y236-L240 WeakPolarHBondContact O-CG 3.46Å; Y236-L240 PolarHBondContact O-N 3.14Å; Y236-L278 HydrophobicContact CE1-CD1 4.17Å; Y236-F280 HydrophobicContact CE1-CE2 4.18Å; Y236-F280 HydrophobicContact CE1-CZ 4.03Å; Y236-V333 HydrophobicContact CD1-CG1 4.15Å; Y236-V333 HydrophobicContact CD1-CG2 4.02Å; Y236-V333 HydrophobicContact CG-CG2 4.22Å
237V93.1Very high88.6Confident0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-62-41.1175.2173.70000111.4I233 K234 H239 L240 N241 P251 A266 Q268 T331 V333I233-V237 PolarHBondContact O-N 2.73Å; I233-V237 VanDerWaalsContact O-N 3.1Å; K234-V237 PolarHBondContact O-N 3.29Å; K234-V237 VanDerWaalsContact O-N 3.16Å; V237-H239 VanDerWaalsContact C-N 3.34Å; V237-H239 PolarHBondContact O-N 2.68Å; V237-L240 PolarHBondContact O-N 3.15Å; V237-N241 WeakPolarHBondContact O-CB 3.4Å; V237-N241 PolarHBondContact O-N 3.25Å; V237-P251 HydrophobicContact CB-CB 4.28Å; V237-P251 HydrophobicContact CB-CG 4.36Å; V237-P251 HydrophobicContact CG1-CB 4.02Å; V237-P251 HydrophobicContact CG1-CG 4.17Å; V237-A266 HydrophobicContact CB-CB 4.44Å; V237-A266 HydrophobicContact CG2-CB 3.6Å; V237-Q268 HydrophobicContact CG1-CB 3.58Å; V237-T331 HydrophobicContact CG1-CG2 4.31Å; V237-V333 HydrophobicContact CG2-CB 4.14Å; V237-V333 HydrophobicContact CG2-CG2 3.76Å
238E91.7Very high88.5Confident85 Ų8545.1 Ų45.140%0.39723%0.23SC..Hα-helixtrans-59.8-44.9173.6-69.1166.8-175.100111.3K234 S235 Y236 L240 N241 H242 P251K234-E238 PolarHBondContact O-N 2.94Å; K234-E238 VanDerWaalsContact O-N 3.11Å; S235-E238 PolarHBondContact O-N 3.16Å; Y236-E238 VanDerWaalsContact C-N 3.32Å; Y236-E238 PolarHBondContact O-N 3.35Å; E238-L240 PolarHBondContact O-N 3.47Å; E238-N241 CarbonylContact O-C 3.51Å; E238-N241 PolarHBondContact O-N 3.15Å; E238-H242 PolarHBondContact O-N 2.88Å; E238-P251 HydrophobicContact CG-CG 3.52Å; E238-P251 WeakPolarHBondContact OE1-CD 3.48Å
239H89Confident88.2Confident56 Ų5647.3 Ų47.326%0.25924%0.244SC..Hα-helixtrans-62.1-40.4175.1-179.676.9000112.3R201 F205 S235 Y236 V237 N241 H242R201-H239 PolarHBondContact NH1-CE1 3.01Å; R201-H239 VanDerWaalsContact NH1-CE1 3.35Å; F205-H239 HydrophobicContact CE1-CB 4.39Å; F205-H239 HydrophobicContact CE2-CB 4.19Å; F205-H239 HydrophobicContact CZ-CB 3.63Å; F205-H239 AromaticContact CZ-CG 3.84Å; S235-H239 WeakPolarHBondContact O-CB 3.41Å; S235-H239 PolarHBondContact O-N 2.93Å; Y236-H239 WeakPolarHBondContact O-CB 3.35Å; Y236-H239 PolarHBondContact O-N 2.89Å; V237-H239 VanDerWaalsContact C-N 3.34Å; V237-H239 PolarHBondContact O-N 2.68Å; H239-N241 VanDerWaalsContact C-N 3.26Å; H239-N241 PolarHBondContact O-N 2.74Å; H239-H242 PolarHBondContact O-ND1 3.49Å
240L87.2Confident88.1Confident22 Ų2251 Ų5112%0.11526%0.264CS..Hα-helixtrans-70.6-21176.6-67.9171000113.4Y236 V237 E238 L278 T331 V333Y236-L240 HydrophobicContact CD2-CD1 4.07Å; Y236-L240 HydrophobicContact CD2-CD2 4.39Å; Y236-L240 HydrophobicContact CD2-CG 3.88Å; Y236-L240 HydrophobicContact CE2-CD1 4.12Å; Y236-L240 HydrophobicContact CE2-CD2 3.9Å; Y236-L240 HydrophobicContact CE2-CG 3.89Å; Y236-L240 VanDerWaalsContact O-CG 3.26Å; Y236-L240 WeakPolarHBondContact O-CG 3.46Å; Y236-L240 PolarHBondContact O-N 3.14Å; V237-L240 PolarHBondContact O-N 3.15Å; E238-L240 PolarHBondContact O-N 3.47Å; L240-L278 HydrophobicContact CD1-CD1 3.67Å; L240-L278 HydrophobicContact CD1-CG 4.45Å; L240-L278 HydrophobicContact CD2-CD1 4.22Å; L240-T331 HydrophobicContact CB-CG2 3.78Å; L240-T331 HydrophobicContact CD1-CG2 3.94Å; L240-V333 HydrophobicContact CD1-CG2 3.85Å
241N88.8Confident88.4Confident3 Ų344.5 Ų44.52%0.01623%0.234CC..Hα-helixtrans-109.42.4-179.6-74.2-18.4000113.8V237 E238 H239 N243 K244 V246 Q268 T270 T331V237-N241 WeakPolarHBondContact O-CB 3.4Å; V237-N241 PolarHBondContact O-N 3.25Å; E238-N241 CarbonylContact O-C 3.51Å; E238-N241 PolarHBondContact O-N 3.15Å; H239-N241 VanDerWaalsContact C-N 3.26Å; H239-N241 PolarHBondContact O-N 2.74Å; N241-N243 PolarHBondContact O-N 3.32Å; N241-K244 PolarHBondContact O-N 2.87Å; N241-V246 HydrophobicContact CB-CG1 4.04Å; N241-Q268 PolarHBondContact ND2-OE1 2.95Å; N241-T270 HydrophobicContact CB-CG2 4.47Å; N241-T270 WeakPolarHBondContact OD1-CG2 3.42Å; N241-T331 VanDerWaalsContact OD1-CB 3.28Å; N241-T331 WeakPolarHBondContact OD1-CB 3.47Å; N241-T331 PolarHBondContact OD1-OG1 3.4Å
242H83.9Confident88.9Confident132 Ų13243.1 Ų43.161%0.61122%0.219SC*.THydrogen-bonded Turntrans-54.5-32.5-177.479.2-77.2000112.5E238 H239E238-H242 PolarHBondContact O-N 2.88Å; H239-H242 PolarHBondContact O-ND1 3.49Å
243N73.3Confident89.1Confident30 Ų3045.9 Ų45.916%0.1623%0.231CC..THydrogen-bonded Turntrans-100.817.9178.469.8-19.5000113.7N241 R629N241-N243 PolarHBondContact O-N 3.32Å; N243-R629 VanDerWaalsContact C-NH2 3.31Å; N243-R629 PolarHBondContact O-NE 2.94Å; N243-R629 VanDerWaalsContact O-NE 3.09Å; N243-R629 PolarHBondContact O-NH1 2.82Å; N243-R629 PolarHBondContact O-NH2 3.24Å
244K77.9Confident89.2Confident71 Ų7146.5 Ų46.531%0.30923%0.234SC..SBendtrans-123.8153.7178.5-58.8179.3-170.1164.90110.6N241 T270 R629N241-K244 PolarHBondContact O-N 2.87Å; K244-T270 HydrophobicContact CB-CG2 3.62Å; K244-T270 HydrophobicContact CD-CG2 3.9Å; K244-T270 HydrophobicContact CG-CG2 4.41Å; K244-R629 VanDerWaalsContact CA-NH2 3.3Å; K244-R629 PolarHBondContact O-NH2 2.96Å
245A82.1Confident89.2Confident42 Ų4248.8 Ų48.835%0.34725%0.246SC..  trans-86.9113.8175.700000108.6T270 D271A245-T270 CarbonylContact O-C 3.45Å; A245-T270 WeakPolarHBondContact O-CA 3.34Å; A245-T270 WeakPolarHBondContact O-CB 3.07Å; A245-D271 PolarHBondContact O-N 3.07Å
246V90.2Very high89.2Confident49 Ų4948.7 Ų48.730%0.29725%0.248SC..BIsolated β-bridgetrans-82143-175.9-620000110.6N241 F248 Q268 T270N241-V246 HydrophobicContact CB-CG1 4.04Å; V246-F248 VanDerWaalsContact C-N 3.29Å; V246-Q268 HydrophobicContact CB-CG 4.32Å; V246-Q268 VanDerWaalsContact CG1-CD 3.46Å; V246-Q268 HydrophobicContact CG1-CG 4.19Å; V246-T270 HydrophobicContact CG1-CG2 4.48Å
247I90.3Very high89.2Confident38 Ų3854 Ų5420%0.19527%0.273CS..SBendtrans-74.8-25.2178.1-61.6-171.4000111.1Y269 T270 R381 K385I247-Y269 PolarHBondContact N-O 2.74Å; I247-T270 WeakPolarHBondContact CD1-O 3.35Å; I247-R381 HydrophobicContact CG2-CB 3.67Å; I247-R381 HydrophobicContact CG2-CG 4.28Å; I247-R381 WeakPolarHBondContact O-CD 3.24Å; I247-R381 PolarHBondContact O-NH1 2.82Å; I247-K385 HydrophobicContact CD1-CB 3.87Å; I247-K385 HydrophobicContact CD1-CD 3.96Å; I247-K385 HydrophobicContact CD1-CG 3.76Å
248F91.7Very high89Confident7 Ų756.3 Ų56.33%0.03128%0.284CS..SBendtrans-151.8143.8177.549.9-95.8000109.3V246 E250 V252 Q268 Y269 V378 I382V246-F248 VanDerWaalsContact C-N 3.29Å; F248-E250 WeakPolarHBondContact CD2-O 3.15Å; F248-E250 WeakPolarHBondContact CE2-O 3.05Å; F248-V252 HydrophobicContact CE2-CG2 3.88Å; F248-V252 HydrophobicContact CZ-CG2 4.05Å; F248-Q268 HydrophobicContact CD2-CG 4.32Å; F248-Q268 HydrophobicContact CE2-CB 4.36Å; F248-Q268 HydrophobicContact CE2-CG 3.91Å; F248-Q268 HydrophobicContact CZ-CG 4.35Å; F248-Q268 PolarHBondContact O-NE2 3.04Å; F248-Y269 HydrophobicContact CE1-CD2 4Å; F248-Y269 HydrophobicContact CE1-CG 4.48Å; F248-Y269 HydrophobicContact CZ-CD2 4.09Å; F248-V378 HydrophobicContact CB-CG2 4.4Å; F248-V378 HydrophobicContact CD1-CG1 3.88Å; F248-V378 HydrophobicContact CD2-CG1 4.04Å; F248-V378 HydrophobicContact CE1-CG1 3.97Å; F248-V378 HydrophobicContact CE2-CG1 4.13Å; F248-V378 HydrophobicContact CG-CG1 3.91Å; F248-V378 HydrophobicContact CZ-CG1 4.09Å; F248-I382 HydrophobicContact CE1-CD1 4.04Å; F248-I382 HydrophobicContact CE1-CG1 3.71Å; F248-I382 HydrophobicContact CZ-CD1 4.18Å; F248-I382 HydrophobicContact CZ-CG1 4.32Å
249D86.1Confident88.7Confident141 Ų14158.6 Ų58.675%0.75430%0.295SS*.SBendtrans-69.1-41.9-162-57.5-31.1000113.5Q268D249-Q268 PolarHBondContact O-NE2 3.27Å
250E90.2Very high88.5Confident132 Ų13261.4 Ų61.462%0.61731%0.312SS*.SBendtrans-95.9128.1-178.5-69.2-161.5-152.400112.7K234 F248K234-E250 IonicContact NZ-OE2 2.84Å; K234-E250 PolarHBondContact NZ-OE2 3.15Å; F248-E250 WeakPolarHBondContact CD2-O 3.15Å; F248-E250 WeakPolarHBondContact CE2-O 3.05Å
251P93.7Very high88.6Confident5 Ų560.6 Ų60.63%0.03231%0.307CS..PPolyproline II helixtrans-60141.2170.8-15.723.6000112K234 V237 E238 F253 Q268K234-P251 HydrophobicContact CG-CB 4.03Å; K234-P251 HydrophobicContact CG-CG 3.94Å; V237-P251 HydrophobicContact CB-CB 4.28Å; V237-P251 HydrophobicContact CB-CG 4.36Å; V237-P251 HydrophobicContact CG1-CB 4.02Å; V237-P251 HydrophobicContact CG1-CG 4.17Å; E238-P251 HydrophobicContact CG-CG 3.52Å; E238-P251 WeakPolarHBondContact OE1-CD 3.48Å; P251-F253 PolarHBondContact O-N 3.1Å; P251-Q268 HydrophobicContact CB-CB 4.09Å; P251-Q268 HydrophobicContact CG-CB 4.48Å
252V94.9Very high88.7Confident1 Ų162.2 Ų62.21%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-68.8126.1170.1-175.40000108.3F248 V254 A266 M267 F368 F371F248-V252 HydrophobicContact CE2-CG2 3.88Å; F248-V252 HydrophobicContact CZ-CG2 4.05Å; V252-V254 HydrophobicContact CG1-CG1 4.41Å; V252-A266 CarbonylContact O-C 3.51Å; V252-A266 VanDerWaalsContact O-CA 3.23Å; V252-A266 WeakPolarHBondContact O-CA 3.27Å; V252-M267 HydrophobicContact CB-CG 3.8Å; V252-M267 WeakPolarHBondContact CB-O 3.24Å; V252-M267 HydrophobicContact CG1-CG 4.38Å; V252-M267 HydrophobicContact CG2-CG 4.38Å; V252-M267 PolarHBondContact N-O 3.3Å; V252-M267 PolarHBondContact O-N 3.32Å; V252-F368 HydrophobicContact CG1-CD2 3.95Å; V252-F368 HydrophobicContact CG1-CE2 3.97Å; V252-F371 HydrophobicContact CB-CD1 4.44Å; V252-F371 HydrophobicContact CB-CE1 4.03Å; V252-F371 HydrophobicContact CB-CZ 4.08Å; V252-F371 HydrophobicContact CG1-CD1 3.54Å; V252-F371 HydrophobicContact CG1-CD2 3.99Å; V252-F371 HydrophobicContact CG1-CE1 3.61Å; V252-F371 HydrophobicContact CG1-CE2 4.03Å; V252-F371 HydrophobicContact CG1-CG 3.75Å; V252-F371 HydrophobicContact CG1-CZ 3.86Å; V252-F371 HydrophobicContact CG2-CD1 4.14Å; V252-F371 HydrophobicContact CG2-CE1 3.39Å; V252-F371 HydrophobicContact CG2-CZ 3.62Å
253F95.1Very high89.2Confident61 Ų6156.1 Ų56.127%0.26829%0.289SS..EExtended strand (participates in β ladder)trans-122.7128.4175.2177.5-104.6000109.7I233 P251 E255 E264 V265 A266I233-F253 HydrophobicContact CD1-CD2 4.32Å; I233-F253 HydrophobicContact CD1-CE2 3.93Å; I233-F253 HydrophobicContact CG1-CD2 4.11Å; I233-F253 HydrophobicContact CG1-CE2 3.72Å; P251-F253 PolarHBondContact O-N 3.1Å; F253-E255 HydrophobicContact CE1-CB 4.09Å; F253-E255 HydrophobicContact CE1-CG 4.14Å; F253-E255 WeakPolarHBondContact CE1-OE2 3.38Å; F253-E255 HydrophobicContact CZ-CB 4.03Å; F253-E264 HydrophobicContact CE2-CB 4.31Å; F253-V265 WeakPolarHBondContact CA-O 3.18Å; F253-A266 HydrophobicContact CD2-CB 4.28Å
254V94.5Very high90.2Very high13 Ų1356.5 Ų56.58%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-132.6136.8175.4-63.80000109.7V252 V265 F364 N367 F368V252-V254 HydrophobicContact CG1-CG1 4.41Å; V254-V265 HydrophobicContact CG2-CB 3.8Å; V254-V265 PolarHBondContact N-O 3.16Å; V254-V265 PolarHBondContact O-N 3.22Å; V254-F364 HydrophobicContact CG2-CD2 3.58Å; V254-F364 HydrophobicContact CG2-CE2 3.78Å; V254-N367 HydrophobicContact CB-CB 3.88Å; V254-N367 HydrophobicContact CG1-CB 3.97Å; V254-F368 HydrophobicContact CG1-CB 4.49Å
255E93.9Very high91.1Very high102 Ų10253.2 Ų53.248%0.47728%0.276SS..EExtended strand (participates in β ladder)trans-133.2153.5178.266.8-177.8-171.300110.4F253 V263 E264 N367F253-E255 HydrophobicContact CE1-CB 4.09Å; F253-E255 HydrophobicContact CE1-CG 4.14Å; F253-E255 WeakPolarHBondContact CE1-OE2 3.38Å; F253-E255 HydrophobicContact CZ-CB 4.03Å; E255-V263 CarbonylContact C-O 3.52Å; E255-V263 WeakPolarHBondContact CA-O 3.49Å; E255-E264 HydrophobicContact CB-CG 4.24Å; E255-N367 PolarHBondContact O-ND2 2.81Å
256G92.4Very high91.8Very high17 Ų1751.2 Ų51.218%0.17526%0.26CS..EExtended strand (participates in β ladder)trans-170.3161.7173.500000112T262 V263G256-T262 WeakPolarHBondContact O-CA 3.41Å; G256-V263 PolarHBondContact N-O 3.5Å; G256-V263 PolarHBondContact O-N 3.04Å
257E92.2Very high92.1Very high126 Ų12648.9 Ų48.959%0.58925%0.246SC*.EExtended strand (participates in β ladder)trans-131.3133.3177.9-171.5-177.1164.800109.5I261E257-I261 WeakPolarHBondContact CA-O 3.32Å
258Q90Very high92.3Very high50 Ų5047.3 Ų47.323%0.23424%0.237CC..EExtended strand (participates in β ladder)trans-149.9133.3174.4-172.4-172.9-19.600109.2D260 I261 V359 L363Q258-D260 VanDerWaalsContact C-N 3.3Å; Q258-D260 PolarHBondContact O-N 3.17Å; Q258-I261 PolarHBondContact N-O 3.41Å; Q258-I261 WeakPolarHBondContact O-CB 3.06Å; Q258-I261 PolarHBondContact O-N 2.94Å; Q258-V359 HydrophobicContact CB-CG1 4.07Å; Q258-L363 HydrophobicContact CB-CD1 3.98Å; Q258-L363 HydrophobicContact CB-CD2 4.1Å; Q258-L363 HydrophobicContact CB-CG 4.18Å
259Q85.7Confident92.5Very high132 Ų13247.1 Ų47.162%0.61724%0.236SC*.THydrogen-bonded Turntrans55.442.7179.9-64.9171.8-30.700112.9I261Q259-I261 PolarHBondContact O-N 3.29Å
260D84.3Confident92.6Very high115 Ų11540.7 Ų40.762%0.61520%0.202SC*.THydrogen-bonded Turntrans59.114.5-175.8-53.4-52.7000114.3Q258 P339Q258-D260 VanDerWaalsContact C-N 3.3Å; Q258-D260 PolarHBondContact O-N 3.17Å; D260-P339 HydrophobicContact CB-CG 3.9Å; D260-P339 WeakPolarHBondContact O-CD 3.35Å; D260-P339 WeakPolarHBondContact O-CG 3.31Å
261I88.3Confident92.3Very high5 Ų539.1 Ų39.13%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-104.6115.5173.8-58.2164.2000108.2E257 Q258 Q259 V263 K337 E355 V356 V359E257-I261 WeakPolarHBondContact CA-O 3.32Å; Q258-I261 PolarHBondContact N-O 3.41Å; Q258-I261 WeakPolarHBondContact O-CB 3.06Å; Q258-I261 PolarHBondContact O-N 2.94Å; Q259-I261 PolarHBondContact O-N 3.29Å; I261-V263 HydrophobicContact CG2-CG2 4.28Å; I261-K337 WeakPolarHBondContact CA-O 2.99Å; I261-E355 HydrophobicContact CD1-CG 4.47Å; I261-V356 HydrophobicContact CD1-CG2 4.14Å; I261-V359 HydrophobicContact CB-CG1 4.19Å; I261-V359 HydrophobicContact CD1-CG2 4.25Å; I261-V359 HydrophobicContact CG2-CG1 4.17Å
262T91.4Very high91.3Very high37 Ų3740 Ų4023%0.22721%0.208CC..EExtended strand (participates in β ladder)trans-89.3135.5172.6-42.20000109.3G256 I336 K337G256-T262 WeakPolarHBondContact O-CA 3.41Å; T262-I336 CarbonylContact O-C 3.55Å; T262-I336 VanDerWaalsContact O-CA 3.26Å; T262-I336 WeakPolarHBondContact O-CA 3.28Å; T262-K337 PolarHBondContact N-O 2.76Å; T262-K337 PolarHBondContact O-N 3.35Å
263V94.2Very high90.5Very high4 Ų447.5 Ų47.52%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-125.6123.1176178.10000108.3E255 G256 I261 V265 I336 V359 T360 L363E255-V263 CarbonylContact C-O 3.52Å; E255-V263 WeakPolarHBondContact CA-O 3.49Å; G256-V263 PolarHBondContact N-O 3.5Å; G256-V263 PolarHBondContact O-N 3.04Å; I261-V263 HydrophobicContact CG2-CG2 4.28Å; V263-V265 HydrophobicContact CG1-CG2 4.11Å; V263-I336 HydrophobicContact CG1-CG2 4.44Å; V263-I336 HydrophobicContact CG2-CG2 4.09Å; V263-V359 HydrophobicContact CG2-CG1 4.26Å; V263-T360 HydrophobicContact CG1-CG2 4.03Å; V263-L363 HydrophobicContact CB-CD1 4.03Å; V263-L363 HydrophobicContact CG2-CD1 3.86Å
264E94.9Very high89.5Confident39 Ų3949.8 Ų49.818%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-120131173.2-63.5177.9-169.100109I233 F253 E255 S335I233-E264 HydrophobicContact CD1-CB 3.61Å; F253-E264 HydrophobicContact CE2-CB 4.31Å; E255-E264 HydrophobicContact CB-CG 4.24Å; E264-S335 PolarHBondContact N-O 3.14Å; E264-S335 PolarHBondContact O-N 3.11Å
265V96.6Very high89Confident1 Ų152.1 Ų52.11%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-132.7124.7176.3-177.40000109.7F253 V254 V263 F296 V333 I334 F364F253-V265 WeakPolarHBondContact CA-O 3.18Å; V254-V265 HydrophobicContact CG2-CB 3.8Å; V254-V265 PolarHBondContact N-O 3.16Å; V254-V265 PolarHBondContact O-N 3.22Å; V263-V265 HydrophobicContact CG1-CG2 4.11Å; V265-F296 HydrophobicContact CG1-CD2 3.95Å; V265-F296 HydrophobicContact CG1-CE2 3.63Å; V265-F296 HydrophobicContact CG1-CZ 4.45Å; V265-F296 HydrophobicContact CG2-CD2 4.39Å; V265-V333 WeakPolarHBondContact CA-O 3.49Å; V265-I334 HydrophobicContact CG1-CG1 4.4Å; V265-I334 HydrophobicContact CG2-CG1 4.49Å; V265-I334 HydrophobicContact CG2-CG2 4.21Å; V265-F364 HydrophobicContact CB-CD2 3.97Å; V265-F364 HydrophobicContact CB-CE2 4.1Å; V265-F364 HydrophobicContact CG1-CD2 4.07Å; V265-F364 HydrophobicContact CG1-CE2 3.76Å; V265-F364 HydrophobicContact CG2-CD2 3.92Å; V265-F364 HydrophobicContact CG2-CE2 4.46Å
266A96.7Very high88.8Confident0 Ų049.2 Ų49.20%025%0.251CS..EExtended strand (participates in β ladder)trans-111.1137.1167.400000109.6I233 V237 V252 F253 A332 V333I233-A266 HydrophobicContact CB-CB 4.3Å; I233-A266 HydrophobicContact CD1-CB 3.94Å; I233-A266 HydrophobicContact CG1-CB 3.88Å; I233-A266 WeakPolarHBondContact O-CB 3.46Å; V237-A266 HydrophobicContact CB-CB 4.44Å; V237-A266 HydrophobicContact CG2-CB 3.6Å; V252-A266 CarbonylContact O-C 3.51Å; V252-A266 VanDerWaalsContact O-CA 3.23Å; V252-A266 WeakPolarHBondContact O-CA 3.27Å; F253-A266 HydrophobicContact CD2-CB 4.28Å; A266-A332 CarbonylContact O-C 3.48Å; A266-A332 VanDerWaalsContact O-CA 3.25Å; A266-A332 WeakPolarHBondContact O-CA 3.3Å; A266-V333 PolarHBondContact N-O 2.64Å; A266-V333 PolarHBondContact O-N 3.29Å
267M96.4Very high88.8Confident1 Ų149.8 Ų49.81%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-151.1146.4178.761.6179.6-77.400113.6V252 Y269 F296 L300 L330 T331 A332 F364 F368V252-M267 HydrophobicContact CB-CG 3.8Å; V252-M267 WeakPolarHBondContact CB-O 3.24Å; V252-M267 HydrophobicContact CG1-CG 4.38Å; V252-M267 HydrophobicContact CG2-CG 4.38Å; V252-M267 PolarHBondContact N-O 3.3Å; V252-M267 PolarHBondContact O-N 3.32Å; M267-Y269 HydrophobicContact CE-CD2 4.34Å; M267-Y269 HydrophobicContact CE-CE2 3.5Å; M267-F296 HydrophobicContact SD-CE2 4.32Å; M267-L300 HydrophobicContact CE-CD1 3.64Å; M267-L300 HydrophobicContact SD-CD1 4.03Å; M267-L330 HydrophobicContact CB-CD1 3.9Å; M267-L330 HydrophobicContact CE-CD1 3.5Å; M267-L330 VanDerWaalsContact CE-CD1 3.5Å; M267-T331 CarbonylContact C-O 3.53Å; M267-T331 VanDerWaalsContact CA-O 3.27Å; M267-T331 WeakPolarHBondContact CA-O 3.37Å; M267-A332 HydrophobicContact CB-CB 3.88Å; M267-F364 HydrophobicContact SD-CE2 4.15Å; M267-F364 HydrophobicContact SD-CZ 3.82Å; M267-F368 HydrophobicContact CE-CE2 4.21Å; M267-F368 HydrophobicContact CE-CZ 3.97Å; M267-F368 HydrophobicContact SD-CD2 4.42Å; M267-F368 HydrophobicContact SD-CE2 3.91Å; M267-F368 HydrophobicContact SD-CZ 4.11Å
268Q95.8Very high88.9Confident4 Ų444.1 Ų44.12%0.01922%0.223CC..EExtended strand (participates in β ladder)trans-150139.5176.6-172.9179.241.600109.8V237 N241 V246 F248 D249 P251 T331V237-Q268 HydrophobicContact CG1-CB 3.58Å; N241-Q268 PolarHBondContact ND2-OE1 2.95Å; V246-Q268 HydrophobicContact CB-CG 4.32Å; V246-Q268 VanDerWaalsContact CG1-CD 3.46Å; V246-Q268 HydrophobicContact CG1-CG 4.19Å; F248-Q268 HydrophobicContact CD2-CG 4.32Å; F248-Q268 HydrophobicContact CE2-CB 4.36Å; F248-Q268 HydrophobicContact CE2-CG 3.91Å; F248-Q268 HydrophobicContact CZ-CG 4.35Å; F248-Q268 PolarHBondContact O-NE2 3.04Å; D249-Q268 PolarHBondContact O-NE2 3.27Å; P251-Q268 HydrophobicContact CB-CB 4.09Å; P251-Q268 HydrophobicContact CG-CB 4.48Å; Q268-T331 PolarHBondContact N-O 2.95Å; Q268-T331 PolarHBondContact O-N 2.97Å
269Y94.2Very high89Confident3 Ų341.8 Ų41.81%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-91.7142.5176.2-75.7-96.8000111.1I247 F248 M267 V326 G329 L330 I382 K385I247-Y269 PolarHBondContact N-O 2.74Å; F248-Y269 HydrophobicContact CE1-CD2 4Å; F248-Y269 HydrophobicContact CE1-CG 4.48Å; F248-Y269 HydrophobicContact CZ-CD2 4.09Å; M267-Y269 HydrophobicContact CE-CD2 4.34Å; M267-Y269 HydrophobicContact CE-CE2 3.5Å; Y269-V326 VanDerWaalsContact CE1-O 3.25Å; Y269-V326 WeakPolarHBondContact CE1-O 3.39Å; Y269-V326 VanDerWaalsContact CZ-O 3.31Å; Y269-V326 PolarHBondContact OH-O 3.37Å; Y269-G329 CarbonylContact C-O 3.5Å; Y269-G329 WeakPolarHBondContact CA-O 3.49Å; Y269-L330 HydrophobicContact CD1-CB 4.31Å; Y269-L330 HydrophobicContact CD2-CD1 4.18Å; Y269-L330 HydrophobicContact CE1-CB 3.95Å; Y269-L330 HydrophobicContact CE1-CD1 4.28Å; Y269-L330 HydrophobicContact CE2-CD1 3.82Å; Y269-I382 HydrophobicContact CD2-CD1 4.23Å; Y269-I382 HydrophobicContact CD2-CG1 3.77Å; Y269-I382 HydrophobicContact CD2-CG2 4.35Å; Y269-I382 HydrophobicContact CE2-CB 4.34Å; Y269-I382 HydrophobicContact CE2-CD1 4.12Å; Y269-I382 HydrophobicContact CE2-CG1 3.86Å; Y269-I382 HydrophobicContact CE2-CG2 3.67Å; Y269-K385 HydrophobicContact CD1-CG 4.19Å
270T89.7Confident89.3Confident6 Ų635.5 Ų35.54%0.03718%0.183CC..BIsolated β-bridgetrans-112.2167.6170.3710000110.2N241 K244 A245 V246 I247 G272 G329 K385N241-T270 HydrophobicContact CB-CG2 4.47Å; N241-T270 WeakPolarHBondContact OD1-CG2 3.42Å; K244-T270 HydrophobicContact CB-CG2 3.62Å; K244-T270 HydrophobicContact CD-CG2 3.9Å; K244-T270 HydrophobicContact CG-CG2 4.41Å; A245-T270 CarbonylContact O-C 3.45Å; A245-T270 WeakPolarHBondContact O-CA 3.34Å; A245-T270 WeakPolarHBondContact O-CB 3.07Å; V246-T270 HydrophobicContact CG1-CG2 4.48Å; I247-T270 WeakPolarHBondContact CD1-O 3.35Å; T270-G272 PolarHBondContact O-N 3.38Å; T270-G272 PolarHBondContact OG1-N 2.84Å; T270-G329 PolarHBondContact N-O 3.31Å; T270-G329 PolarHBondContact OG1-O 2.95Å; T270-K385 WeakPolarHBondContact O-CE 3.44Å
271D82.7Confident89.6Confident100 Ų10030 Ų3054%0.53515%0.154SC..SBendtrans-67-19172.664.3-17.6000113.6A245 K385A245-D271 PolarHBondContact O-N 3.07Å; D271-K385 PolarHBondContact O-NZ 3.01Å
272G73.8Confident89.4Confident23 Ų2330 Ų3024%0.23715%0.154CC..SBendtrans-61.8171.6179.500000115T270 G329 K385T270-G272 PolarHBondContact O-N 3.38Å; T270-G272 PolarHBondContact OG1-N 2.84Å; G272-G329 WeakPolarHBondContact O-CA 2.99Å; G272-G329 PolarHBondContact O-N 3.24Å; G272-K385 WeakPolarHBondContact O-CE 3.39Å; G272-K385 PolarHBondContact O-NZ 3.14Å
273Y76.6Confident89.2Confident159 Ų15928.4 Ų28.462%0.62414%0.144SC*.SBendtrans-101.7-19.9-175.5-55.9-77.7000113.3E328Y273-E328 HydrophobicContact CD1-CG 4.49Å; Y273-E328 VanDerWaalsContact O-CG 3.32Å; Y273-E328 WeakPolarHBondContact O-CG 3.49Å
274H74.2Confident88.6Confident109 Ų10929.2 Ų29.251%0.50515%0.148SC..  trans-85146.1-175-63-63.9000112.6G329H274-G329 VanDerWaalsContact O-CA 3.27Å; H274-G329 WeakPolarHBondContact O-CA 3.32Å; H274-G329 PolarHBondContact O-N 3.33Å
275T85.4Confident88.2Confident62 Ų6229.7 Ų29.738%0.3815%0.15SC..  trans-94.2131.4170.8-54.20000109.3I277 R327 L330T275-I277 HydrophobicContact CG2-CD1 3.61Å; T275-I277 HydrophobicContact CG2-CG1 3.73Å; T275-R327 HydrophobicContact CG2-CB 3.89Å; T275-R327 WeakPolarHBondContact OG1-CB 3.41Å; T275-R327 PolarHBondContact OG1-O 3.17Å; T275-L330 CarbonylContact C-O 3.56Å; T275-L330 WeakPolarHBondContact CA-O 3.31Å; T275-L330 HydrophobicContact CG2-CB 4.47Å
276N89Confident87.8Confident40 Ų4029.7 Ų29.721%0.21415%0.15CC..EExtended strand (participates in β ladder)trans-122104172.2-176.623.6000109.7L330 T331 A332N276-L330 PolarHBondContact N-O 3.16Å; N276-T331 HydrophobicContact CB-CG2 4.36Å; N276-T331 CarbonylContact O-C 3.57Å; N276-T331 VanDerWaalsContact O-CA 3.24Å; N276-T331 WeakPolarHBondContact O-CA 3.36Å; N276-A332 PolarHBondContact O-N 2.8Å
277I93.3Very high87.1Confident30 Ų3036.7 Ų36.715%0.15418%0.177CC..EExtended strand (participates in β ladder)trans-116.8120.3178.4-66.8165.9000108.1T275 E293 F296 K297 A332 I334T275-I277 HydrophobicContact CG2-CD1 3.61Å; T275-I277 HydrophobicContact CG2-CG1 3.73Å; I277-E293 HydrophobicContact CG2-CG 4.08Å; I277-F296 HydrophobicContact CD1-CE1 4.23Å; I277-K297 HydrophobicContact CD1-CG 4.42Å; I277-A332 WeakPolarHBondContact CA-O 3.25Å; I277-A332 HydrophobicContact CG1-CB 4.33Å; I277-I334 HydrophobicContact CG2-CD1 3.65Å
278L92.5Very high86.4Confident7 Ų741.7 Ų41.74%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-108.6128170.8-57-178.7000108.7Y236 L240 F280 A332 V333 I334 I616Y236-L278 HydrophobicContact CE1-CD1 4.17Å; L240-L278 HydrophobicContact CD1-CD1 3.67Å; L240-L278 HydrophobicContact CD1-CG 4.45Å; L240-L278 HydrophobicContact CD2-CD1 4.22Å; L278-F280 HydrophobicContact CB-CE2 3.65Å; L278-F280 HydrophobicContact CB-CZ 4.12Å; L278-A332 PolarHBondContact N-O 2.73Å; L278-V333 HydrophobicContact CB-CG2 4.47Å; L278-V333 CarbonylContact O-C 3.38Å; L278-V333 WeakPolarHBondContact O-CA 3.47Å; L278-I334 PolarHBondContact O-N 3.19Å; L278-I616 HydrophobicContact CD2-CD1 4.34Å
279S93.4Very high86Confident1 Ų141.7 Ų41.71%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-122.5139.6-177.860.90000111.3H285 T286 E293 I334S279-H285 PolarHBondContact O-CD2 2.94Å; S279-H285 VanDerWaalsContact O-CD2 3.28Å; S279-T286 WeakPolarHBondContact CB-OG1 3.49Å; S279-T286 PolarHBondContact O-N 3.32Å; S279-T286 PolarHBondContact O-OG1 3.42Å; S279-T286 PolarHBondContact OG-O 2.84Å; S279-T286 PolarHBondContact OG-OG1 2.82Å; S279-E293 WeakPolarHBondContact CB-OE2 3.47Å; S279-E293 PolarHBondContact OG-OE2 2.95Å; S279-I334 CarbonylContact C-O 3.59Å; S279-I334 WeakPolarHBondContact CA-O 3.17Å
280F92.1Very high85.8Confident0 Ų042.2 Ų42.20%021%0.208CC..EExtended strand (participates in β ladder)trans-136.7137.7-172.5-60.3-87.6000110.8E202 L206 Y236 L278 I284 H285 V333 I334 I336E202-F280 HydrophobicContact CG-CE1 4.2Å; E202-F280 HydrophobicContact CG-CZ 4.2Å; E202-F280 VanDerWaalsContact OE1-CE1 3.3Å; E202-F280 WeakPolarHBondContact OE1-CE1 3.33Å; L206-F280 HydrophobicContact CD1-CD1 3.56Å; L206-F280 HydrophobicContact CD1-CE1 3.75Å; L206-F280 HydrophobicContact CD1-CG 4.04Å; L206-F280 HydrophobicContact CD1-CZ 4.35Å; L206-F280 HydrophobicContact CD2-CB 4.09Å; L206-F280 HydrophobicContact CD2-CD1 4.04Å; L206-F280 HydrophobicContact CD2-CD2 3.63Å; L206-F280 HydrophobicContact CD2-CE1 4.41Å; L206-F280 HydrophobicContact CD2-CE2 4.03Å; L206-F280 HydrophobicContact CD2-CG 3.64Å; L206-F280 HydrophobicContact CD2-CZ 4.41Å; L206-F280 HydrophobicContact CG-CD1 4.45Å; Y236-F280 HydrophobicContact CE1-CE2 4.18Å; Y236-F280 HydrophobicContact CE1-CZ 4.03Å; L278-F280 HydrophobicContact CB-CE2 3.65Å; L278-F280 HydrophobicContact CB-CZ 4.12Å; F280-I284 CarbonylContact C-O 3.58Å; F280-I284 WeakPolarHBondContact CA-O 3.37Å; F280-H285 HydrophobicContact CD1-CB 3.98Å; F280-H285 HydrophobicContact CE1-CB 3.67Å; F280-H285 AromaticContact CE1-CD2 3.69Å; F280-H285 AromaticContact CE1-CG 3.88Å; F280-H285 AromaticContact CZ-CD2 3.86Å; F280-V333 HydrophobicContact CD2-CG1 4.11Å; F280-V333 HydrophobicContact CE2-CG1 3.98Å; F280-I334 PolarHBondContact N-O 2.86Å; F280-I336 WeakPolarHBondContact O-CG1 3.29Å; F280-I336 PolarHBondContact O-N 3.04Å
281A89.3Confident86Confident0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-125.9117.5170.300000109.3N283 I284 T286 I336 F343 L351A281-N283 VanDerWaalsContact C-N 3.29Å; A281-N283 PolarHBondContact O-N 3.15Å; A281-I284 PolarHBondContact N-O 3.21Å; A281-I284 VanDerWaalsContact O-CB 3.31Å; A281-I284 WeakPolarHBondContact O-CB 3.42Å; A281-I284 PolarHBondContact O-N 3.39Å; A281-T286 HydrophobicContact CB-CG2 4.19Å; A281-I336 HydrophobicContact CB-CD1 3.96Å; A281-I336 HydrophobicContact CB-CG1 3.73Å; A281-F343 HydrophobicContact CB-CE1 4.05Å; A281-F343 HydrophobicContact CB-CZ 3.92Å; A281-L351 HydrophobicContact CB-CD1 4.03Å; A281-L351 HydrophobicContact CB-CD2 4.4Å
282N86.2Confident86.6Confident4 Ų438.4 Ų38.42%0.02119%0.188CC..THydrogen-bonded Turntrans50.645.8-175.9-63.30.6000113.1V120 S121 I284 I336 K337 H338 P341V120-N282 VanDerWaalsContact CG1-OD1 3.28Å; V120-N282 WeakPolarHBondContact CG1-OD1 3.27Å; S121-N282 PolarHBondContact O-ND2 2.96Å; N282-I284 PolarHBondContact O-N 2.82Å; N282-I336 PolarHBondContact N-O 3.45Å; N282-K337 VanDerWaalsContact OD1-CA 3.31Å; N282-K337 WeakPolarHBondContact OD1-CA 3.46Å; N282-H338 PolarHBondContact ND2-O 2.95Å; N282-H338 PolarHBondContact OD1-N 3.47Å; N282-H338 PolarHBondContact OD1-O 2.87Å; N282-P341 WeakPolarHBondContact ND2-CG 3.27Å
283N85.4Confident87.6Confident4 Ų438.4 Ų38.42%0.02118%0.182CC..THydrogen-bonded Turntrans691.4-177.2-53.9-25.7000115.9I57 R199 L203 L206 N207 A281 K337I57-N283 WeakPolarHBondContact CG2-ND2 3.01Å; R199-N283 PolarHBondContact NH2-O 2.89Å; L203-N283 HydrophobicContact CD2-CB 4.1Å; L206-N283 HydrophobicContact CD1-CB 4.44Å; N207-N283 PolarHBondContact ND2-ND2 3.06Å; N207-N283 PolarHBondContact OD1-ND2 2.83Å; A281-N283 VanDerWaalsContact C-N 3.29Å; A281-N283 PolarHBondContact O-N 3.15Å; N283-K337 PolarHBondContact OD1-NZ 3.22Å
284I83.1Confident88.4Confident21 Ų2135.6 Ų35.611%0.10817%0.173CC..EExtended strand (participates in β ladder)trans-88.1128.5174.9-58.5161.2000108.5F280 A281 N282 T286 F343 K348F280-I284 CarbonylContact C-O 3.58Å; F280-I284 WeakPolarHBondContact CA-O 3.37Å; A281-I284 PolarHBondContact N-O 3.21Å; A281-I284 VanDerWaalsContact O-CB 3.31Å; A281-I284 WeakPolarHBondContact O-CB 3.42Å; A281-I284 PolarHBondContact O-N 3.39Å; N282-I284 PolarHBondContact O-N 2.82Å; I284-T286 PolarHBondContact O-N 3.14Å; I284-F343 HydrophobicContact CB-CZ 4.39Å; I284-F343 HydrophobicContact CD1-CE2 4.04Å; I284-F343 HydrophobicContact CD1-CZ 3.87Å; I284-K348 HydrophobicContact CD1-CB 4.41Å; I284-K348 HydrophobicContact CD1-CD 3.62Å; I284-K348 HydrophobicContact CG2-CB 3.96Å; I284-K348 WeakPolarHBondContact CG2-O 3.5Å
285H86Confident89.4Confident49 Ų4930.4 Ų30.423%0.22715%0.149CC..EExtended strand (participates in β ladder)trans-74.1116.5177.9-176-148000109.9S279 F280 Y287S279-H285 PolarHBondContact O-CD2 2.94Å; S279-H285 VanDerWaalsContact O-CD2 3.28Å; F280-H285 HydrophobicContact CD1-CB 3.98Å; F280-H285 HydrophobicContact CE1-CB 3.67Å; F280-H285 AromaticContact CE1-CD2 3.69Å; F280-H285 AromaticContact CE1-CG 3.88Å; F280-H285 AromaticContact CZ-CD2 3.86Å; H285-Y287 PolarHBondContact O-N 2.99Å
286T87.3Confident89.9Confident0 Ų027.4 Ų27.40%013%0.131CC..  trans-94.170.7177.651.70000110.3S279 A281 I284 E288 G289 H292 F343 T349 L351S279-T286 WeakPolarHBondContact CB-OG1 3.49Å; S279-T286 PolarHBondContact O-N 3.32Å; S279-T286 PolarHBondContact O-OG1 3.42Å; S279-T286 PolarHBondContact OG-O 2.84Å; S279-T286 PolarHBondContact OG-OG1 2.82Å; A281-T286 HydrophobicContact CB-CG2 4.19Å; I284-T286 PolarHBondContact O-N 3.14Å; T286-E288 PolarHBondContact O-N 2.89Å; T286-G289 WeakPolarHBondContact CB-O 3.3Å; T286-G289 VanDerWaalsContact O-CA 3.25Å; T286-G289 WeakPolarHBondContact O-CA 3.29Å; T286-G289 PolarHBondContact O-N 3.31Å; T286-H292 PolarHBondContact OG1-CE1 3.05Å; T286-H292 VanDerWaalsContact OG1-CE1 3.24Å; T286-H292 PolarHBondContact OG1-NE2 3.25Å; T286-F343 HydrophobicContact CG2-CD1 4.35Å; T286-F343 HydrophobicContact CG2-CE1 3.75Å; T286-T349 CarbonylContact C-O 3.57Å; T286-T349 WeakPolarHBondContact CA-O 3.12Å; T286-T349 WeakPolarHBondContact CB-O 3.46Å; T286-L351 HydrophobicContact CG2-CB 4.45Å
287Y83.5Confident90.2Very high147 Ų14728.6 Ų28.658%0.57613%0.134SC*.THydrogen-bonded Turntrans-66.7-20.9-173.766-97.3000113.9H285 T349H285-Y287 PolarHBondContact O-N 2.99Å; Y287-T349 HydrophobicContact CD1-CG2 4.22Å; Y287-T349 HydrophobicContact CE1-CG2 3.26Å; Y287-T349 VanDerWaalsContact CZ-CG2 3.45Å; Y287-T349 PolarHBondContact N-O 3.39Å; Y287-T349 VanDerWaalsContact OH-CG2 3.24Å; Y287-T349 WeakPolarHBondContact OH-CG2 3.34Å
288E81.7Confident90.3Very high107 Ų10729.8 Ų29.850%0.514%0.143SC..THydrogen-bonded Turntrans-83.62.7168.8-74.1178.9-144.900112.6T286 T349 K350T286-E288 PolarHBondContact O-N 2.89Å; E288-T349 PolarHBondContact N-O 3.02Å; E288-T349 PolarHBondContact OE1-OG1 3.34Å; E288-T349 VanDerWaalsContact OE1-OG1 3.1Å; E288-K350 HydrophobicContact CB-CB 3.86Å; E288-K350 HydrophobicContact CB-CD 4.26Å; E288-K350 HydrophobicContact CB-CG 4.35Å
289G86.8Confident90.5Very high3 Ų329.4 Ų29.43%0.03114%0.141CC..  trans76.3-140-178.400000112.9T286 H292 E293 K350 L351T286-G289 WeakPolarHBondContact CB-O 3.3Å; T286-G289 VanDerWaalsContact O-CA 3.25Å; T286-G289 WeakPolarHBondContact O-CA 3.29Å; T286-G289 PolarHBondContact O-N 3.31Å; G289-H292 PolarHBondContact O-CE1 3.42Å; G289-E293 VanDerWaalsContact CA-OE2 3.26Å; G289-E293 WeakPolarHBondContact CA-OE2 3.35Å; G289-K350 VanDerWaalsContact O-CA 3.32Å; G289-K350 WeakPolarHBondContact O-CA 3.21Å; G289-L351 PolarHBondContact O-N 3.22Å
290G90.1Very high90.6Very high14 Ų1429.4 Ų29.414%0.14414%0.141CC..BIsolated β-bridgetrans152.1-169.5-179.300000112.7H292 E293 F294 L351G290-H292 VanDerWaalsContact C-N 3.34Å; G290-H292 PolarHBondContact O-N 3.15Å; G290-E293 PolarHBondContact O-N 3.45Å; G290-F294 WeakPolarHBondContact O-CB 3.46Å; G290-F294 PolarHBondContact O-N 3.1Å; G290-L351 VanDerWaalsContact CA-O 3.28Å; G290-L351 WeakPolarHBondContact CA-O 3.25Å
291T94.5Very high90.8Very high26 Ų2630.7 Ų30.716%0.1615%0.148CC..Hα-helixtrans-63.5-36.1-176.551.80000113.3G295 L351 N353 R357T291-G295 PolarHBondContact O-N 3.26Å; T291-L351 PolarHBondContact N-O 2.99Å; T291-N353 WeakPolarHBondContact CB-O 3.45Å; T291-N353 VanDerWaalsContact CG2-O 3.27Å; T291-N353 WeakPolarHBondContact CG2-O 3.42Å; T291-N353 PolarHBondContact OG1-O 2.79Å; T291-R357 VanDerWaalsContact O-CA 3.25Å; T291-R357 WeakPolarHBondContact O-CA 3.37Å; T291-R357 WeakPolarHBondContact O-CB 3.43Å
292H94Very high91.1Very high0 Ų035.8 Ų35.80%017%0.168CC..Hα-helixtrans-61.1-54.2171.953.7-35000112.6T286 G289 G290 F294 G295 F296 I336 L351 V356 T360T286-H292 PolarHBondContact OG1-CE1 3.05Å; T286-H292 VanDerWaalsContact OG1-CE1 3.24Å; T286-H292 PolarHBondContact OG1-NE2 3.25Å; G289-H292 PolarHBondContact O-CE1 3.42Å; G290-H292 VanDerWaalsContact C-N 3.34Å; G290-H292 PolarHBondContact O-N 3.15Å; H292-F294 VanDerWaalsContact C-N 3.29Å; H292-F294 PolarHBondContact O-N 3.38Å; H292-G295 PolarHBondContact O-N 3.35Å; H292-G295 VanDerWaalsContact O-N 3.11Å; H292-F296 PolarHBondContact O-N 3.15Å; H292-I336 HydrophobicContact CB-CD1 4.09Å; H292-I336 HydrophobicContact CB-CG2 3.9Å; H292-L351 HydrophobicContact CB-CD2 4.24Å; H292-V356 HydrophobicContact CB-CG1 3.63Å; H292-T360 VanDerWaalsContact O-CG2 3.31Å; H292-T360 WeakPolarHBondContact O-CG2 3.02Å
293E94.8Very high91.5Very high24 Ų2435.9 Ų35.911%0.11217%0.168CC..Hα-helixtrans-61.8-39.6180-173.8179.3136.800111.5I277 S279 G289 G290 F296 K297 I334I277-E293 HydrophobicContact CG2-CG 4.08Å; S279-E293 WeakPolarHBondContact CB-OE2 3.47Å; S279-E293 PolarHBondContact OG-OE2 2.95Å; G289-E293 VanDerWaalsContact CA-OE2 3.26Å; G289-E293 WeakPolarHBondContact CA-OE2 3.35Å; G290-E293 PolarHBondContact O-N 3.45Å; E293-F296 PolarHBondContact O-N 3.47Å; E293-K297 HydrophobicContact CG-CD 4.34Å; E293-K297 WeakPolarHBondContact O-CG 3.29Å; E293-K297 PolarHBondContact O-N 3.44Å; E293-K297 WeakPolarHBondContact OE1-CE 3.41Å; E293-K297 IonicContact OE1-NZ 2.71Å; E293-K297 PolarHBondContact OE1-NZ 3.24Å; E293-I334 HydrophobicContact CB-CD1 4.41Å; E293-I334 HydrophobicContact CG-CD1 4.07Å
294F94.1Very high92Very high99 Ų9935.8 Ų35.843%0.43417%0.168SC..Hα-helixtrans-62.2-43.8174.2-172.2-81.6000111.9G290 H292 K297 T298 R357G290-F294 WeakPolarHBondContact O-CB 3.46Å; G290-F294 PolarHBondContact O-N 3.1Å; H292-F294 VanDerWaalsContact C-N 3.29Å; H292-F294 PolarHBondContact O-N 3.38Å; F294-K297 PolarHBondContact O-N 3.12Å; F294-T298 WeakPolarHBondContact CE1-OG1 3.39Å; F294-T298 WeakPolarHBondContact O-CB 3.27Å; F294-T298 PolarHBondContact O-N 3.35Å; F294-T298 VanDerWaalsContact O-N 3.11Å; F294-T298 PolarHBondContact O-OG1 2.91Å; F294-R357 HydrophobicContact CD1-CG 4.07Å; F294-R357 VanDerWaalsContact CE1-NH2 3.33Å
295G94.6Very high92.6Very high0 Ų035.3 Ų35.30%017%0.166CC..Hα-helixtrans-57.1-48.4174.600000112T291 H292 T298 A299T291-G295 PolarHBondContact O-N 3.26Å; H292-G295 PolarHBondContact O-N 3.35Å; H292-G295 VanDerWaalsContact O-N 3.11Å; G295-T298 PolarHBondContact O-N 2.86Å; G295-A299 WeakPolarHBondContact O-CB 3.49Å; G295-A299 PolarHBondContact O-N 3.03Å
296F96.6Very high92.9Very high0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-58.8-52.3175.1165.4-100.2000112.8V265 M267 I277 H292 E293 T298 A299 L300 L330 A332 I334 T360 F364V265-F296 HydrophobicContact CG1-CD2 3.95Å; V265-F296 HydrophobicContact CG1-CE2 3.63Å; V265-F296 HydrophobicContact CG1-CZ 4.45Å; V265-F296 HydrophobicContact CG2-CD2 4.39Å; M267-F296 HydrophobicContact SD-CE2 4.32Å; I277-F296 HydrophobicContact CD1-CE1 4.23Å; H292-F296 PolarHBondContact O-N 3.15Å; E293-F296 PolarHBondContact O-N 3.47Å; F296-T298 VanDerWaalsContact C-N 3.26Å; F296-T298 PolarHBondContact O-N 2.67Å; F296-A299 PolarHBondContact O-N 3.41Å; F296-L300 HydrophobicContact CE1-CD2 4.28Å; F296-L300 HydrophobicContact CZ-CD2 4.02Å; F296-L300 WeakPolarHBondContact O-CB 3.28Å; F296-L300 PolarHBondContact O-N 3.41Å; F296-L330 HydrophobicContact CE1-CD2 4.43Å; F296-L330 HydrophobicContact CZ-CD2 4.26Å; F296-A332 HydrophobicContact CE1-CB 4.29Å; F296-A332 HydrophobicContact CZ-CB 3.93Å; F296-I334 HydrophobicContact CB-CD1 3.85Å; F296-I334 HydrophobicContact CB-CG1 4.48Å; F296-I334 HydrophobicContact CD1-CD1 3.32Å; F296-I334 HydrophobicContact CD1-CG1 4.13Å; F296-I334 HydrophobicContact CD2-CD1 4.38Å; F296-I334 HydrophobicContact CD2-CG1 4.42Å; F296-I334 HydrophobicContact CE1-CD1 3.91Å; F296-I334 HydrophobicContact CE1-CG1 4.48Å; F296-I334 HydrophobicContact CG-CD1 3.59Å; F296-I334 HydrophobicContact CG-CG1 4.08Å; F296-T360 HydrophobicContact CB-CG2 4.22Å; F296-F364 HydrophobicContact CD2-CD1 4.09Å; F296-F364 AromaticContact CD2-CD2 3.87Å; F296-F364 HydrophobicContact CD2-CD2 3.87Å; F296-F364 AromaticContact CD2-CE1 3.97Å; F296-F364 HydrophobicContact CD2-CE1 3.97Å; F296-F364 AromaticContact CD2-CE2 3.76Å; F296-F364 HydrophobicContact CD2-CE2 3.76Å; F296-F364 HydrophobicContact CD2-CG 4.05Å; F296-F364 AromaticContact CD2-CZ 3.81Å; F296-F364 HydrophobicContact CD2-CZ 3.81Å; F296-F364 HydrophobicContact CE2-CD2 4.14Å; F296-F364 AromaticContact CE2-CE1 3.95Å; F296-F364 HydrophobicContact CE2-CE1 3.95Å; F296-F364 AromaticContact CE2-CE2 3.54Å; F296-F364 HydrophobicContact CE2-CE2 3.54Å; F296-F364 AromaticContact CE2-CZ 3.43Å; F296-F364 HydrophobicContact CE2-CZ 3.43Å; F296-F364 VanDerWaalsContact CE2-CZ 3.43Å
297K95.6Very high93.3Very high64 Ų6436.6 Ų36.628%0.27817%0.174SC..Hα-helixtrans-58.4-39.4-177.4-75.9179-179.21710112.2I277 E293 F294 T301I277-K297 HydrophobicContact CD1-CG 4.42Å; E293-K297 HydrophobicContact CG-CD 4.34Å; E293-K297 WeakPolarHBondContact O-CG 3.29Å; E293-K297 PolarHBondContact O-N 3.44Å; E293-K297 WeakPolarHBondContact OE1-CE 3.41Å; E293-K297 IonicContact OE1-NZ 2.71Å; E293-K297 PolarHBondContact OE1-NZ 3.24Å; F294-K297 PolarHBondContact O-N 3.12Å; K297-T301 PolarHBondContact O-N 3.03Å; K297-T301 PolarHBondContact O-OG1 2.98Å
298T94.7Very high93.7Very high55 Ų5529.6 Ų29.634%0.33715%0.147SC..Hα-helixtrans-70.3-47.9-179.9-46.60000110.8F294 G295 F296 T301 R302F294-T298 WeakPolarHBondContact CE1-OG1 3.39Å; F294-T298 WeakPolarHBondContact O-CB 3.27Å; F294-T298 PolarHBondContact O-N 3.35Å; F294-T298 VanDerWaalsContact O-N 3.11Å; F294-T298 PolarHBondContact O-OG1 2.91Å; G295-T298 PolarHBondContact O-N 2.86Å; F296-T298 VanDerWaalsContact C-N 3.26Å; F296-T298 PolarHBondContact O-N 2.67Å; T298-T301 PolarHBondContact O-N 3.08Å; T298-R302 PolarHBondContact O-N 3.08Å
299A96Very high94.2Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-61.6-45.9178.200000112.7G295 F296 T301 R302 V303 D361 F364 S365G295-A299 WeakPolarHBondContact O-CB 3.49Å; G295-A299 PolarHBondContact O-N 3.03Å; F296-A299 PolarHBondContact O-N 3.41Å; A299-T301 VanDerWaalsContact C-N 3.34Å; A299-T301 PolarHBondContact O-N 3.03Å; A299-R302 PolarHBondContact O-N 3.29Å; A299-V303 WeakPolarHBondContact O-CB 3.43Å; A299-V303 VanDerWaalsContact O-CG2 3.27Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 2.98Å; A299-D361 HydrophobicContact CB-CB 4.38Å; A299-F364 HydrophobicContact CB-CD1 3.75Å; A299-S365 WeakPolarHBondContact CB-OG 3.45Å
300L96.7Very high94.4Very high0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-54.3-49177.9-17971.4000112.1M267 F296 R302 I304 V326 R327 L330 F364 F368M267-L300 HydrophobicContact CE-CD1 3.64Å; M267-L300 HydrophobicContact SD-CD1 4.03Å; F296-L300 HydrophobicContact CE1-CD2 4.28Å; F296-L300 HydrophobicContact CZ-CD2 4.02Å; F296-L300 WeakPolarHBondContact O-CB 3.28Å; F296-L300 PolarHBondContact O-N 3.41Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 3.47Å; L300-I304 HydrophobicContact CD1-CD1 3.64Å; L300-I304 HydrophobicContact CG-CD1 4.07Å; L300-I304 PolarHBondContact O-N 2.95Å; L300-I304 VanDerWaalsContact O-N 3.14Å; L300-V326 HydrophobicContact CD2-CG1 4.03Å; L300-V326 HydrophobicContact CG-CG1 3.82Å; L300-R327 HydrophobicContact CD2-CG 3.99Å; L300-L330 HydrophobicContact CD2-CD2 3.58Å; L300-F364 HydrophobicContact CB-CE1 3.98Å; L300-F364 HydrophobicContact CD1-CE1 4.05Å; L300-F364 HydrophobicContact CD1-CZ 3.98Å; L300-F368 HydrophobicContact CD1-CD1 4.4Å; L300-F368 HydrophobicContact CD1-CE1 3.71Å; L300-F368 HydrophobicContact CD1-CZ 4.11Å
301T95.6Very high94.4Very high27 Ų2738.1 Ų38.117%0.16618%0.176CC..Hα-helixtrans-62.2-43.4-179.6-510000111.1K297 T298 A299 N305 G323 V326K297-T301 PolarHBondContact O-N 3.03Å; K297-T301 PolarHBondContact O-OG1 2.98Å; T298-T301 PolarHBondContact O-N 3.08Å; A299-T301 VanDerWaalsContact C-N 3.34Å; A299-T301 PolarHBondContact O-N 3.03Å; T301-N305 PolarHBondContact O-N 2.89Å; T301-N305 PolarHBondContact O-ND2 2.84Å; T301-G323 WeakPolarHBondContact OG1-CA 3.42Å; T301-V326 HydrophobicContact CG2-CG2 4.4Å
302R95.5Very high94.1Very high107 Ų10745.7 Ų45.740%0.40421%0.207SC..Hα-helixtrans-66.3-51.2179.5-176.8179.164.3-153.8-3.4111.8T298 A299 L300 I304 N305 D306 D361 S365T298-R302 PolarHBondContact O-N 3.08Å; A299-R302 PolarHBondContact O-N 3.29Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 3.47Å; R302-I304 PolarHBondContact O-N 3.36Å; R302-N305 PolarHBondContact O-N 2.76Å; R302-D306 WeakPolarHBondContact O-CB 3.48Å; R302-D306 PolarHBondContact O-N 3.31Å; R302-D361 IonicContact CZ-OD1 2.82Å; R302-D361 IonicContact CZ-OD2 3.55Å; R302-D361 IonicContact NH1-OD1 2.95Å; R302-D361 PolarHBondContact NH1-OD1 3.01Å; R302-D361 IonicContact NH1-OD2 3.81Å; R302-D361 IonicContact NH2-OD1 3.75Å; R302-D361 PolarHBondContact NH2-OD1 2.85Å; R302-D361 IonicContact NH2-OD2 2.67Å; R302-S365 PolarHBondContact NH2-OG 3.01Å
303V96Very high93.9Very high6 Ų647.9 Ų47.94%0.03622%0.218CC..Hα-helixtrans-62.3-41.4-175.4173.70000111.9A299 D306 Y307 F368 M369 L372A299-V303 WeakPolarHBondContact O-CB 3.43Å; A299-V303 VanDerWaalsContact O-CG2 3.27Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 2.98Å; V303-D306 PolarHBondContact O-N 3Å; V303-Y307 VanDerWaalsContact O-CB 3.27Å; V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 3.23Å; V303-F368 HydrophobicContact CB-CD1 4.1Å; V303-F368 HydrophobicContact CG1-CD1 3.6Å; V303-F368 HydrophobicContact CG1-CE1 4.13Å; V303-F368 HydrophobicContact CG1-CG 4.5Å; V303-M369 HydrophobicContact CG1-CB 4.04Å; V303-M369 HydrophobicContact CG1-SD 4.06Å; V303-L372 HydrophobicContact CG1-CD1 3.86Å
304I95.7Very high93.5Very high3 Ų347.2 Ų47.22%0.01522%0.215CC..Hα-helixtrans-66.6-42.6179.6-74.6171.9000111.4L300 R302 Y307 A308 L321 V326 F368 I382 V383L300-I304 HydrophobicContact CD1-CD1 3.64Å; L300-I304 HydrophobicContact CG-CD1 4.07Å; L300-I304 PolarHBondContact O-N 2.95Å; L300-I304 VanDerWaalsContact O-N 3.14Å; R302-I304 PolarHBondContact O-N 3.36Å; I304-Y307 PolarHBondContact O-N 3.32Å; I304-A308 VanDerWaalsContact O-CB 3.28Å; I304-A308 WeakPolarHBondContact O-CB 3.37Å; I304-A308 PolarHBondContact O-N 3.3Å; I304-L321 HydrophobicContact CG2-CD1 4.23Å; I304-V326 HydrophobicContact CB-CG1 4.21Å; I304-V326 HydrophobicContact CD1-CG1 3.32Å; I304-V326 HydrophobicContact CG1-CG1 4.27Å; I304-V326 HydrophobicContact CG2-CG1 4.36Å; I304-V326 HydrophobicContact CG2-CG2 4.28Å; I304-F368 HydrophobicContact CD1-CE1 4.11Å; I304-F368 HydrophobicContact CD1-CZ 4.35Å; I304-F368 HydrophobicContact CG1-CE1 3.93Å; I304-F368 HydrophobicContact CG1-CZ 4.44Å; I304-I382 HydrophobicContact CD1-CG2 3.59Å; I304-I382 HydrophobicContact CG1-CG2 4.19Å; I304-V383 HydrophobicContact CG2-CG2 4.22Å
305N94.7Very high93Very high11 Ų1149.9 Ų49.96%0.05923%0.226CC..Hα-helixtrans-63.7-43.7174.7-81.7-69.6000111.7T301 R302 A308 R309 N320 L321T301-N305 PolarHBondContact O-N 2.89Å; T301-N305 PolarHBondContact O-ND2 2.84Å; R302-N305 PolarHBondContact O-N 2.76Å; N305-A308 PolarHBondContact O-N 3.36Å; N305-R309 WeakPolarHBondContact O-CG 3.2Å; N305-R309 PolarHBondContact O-N 3.42Å; N305-R309 VanDerWaalsContact O-N 3.08Å; N305-N320 WeakPolarHBondContact OD1-CA 3.18Å; N305-N320 WeakPolarHBondContact OD1-CB 3.06Å; N305-L321 PolarHBondContact ND2-O 3.48Å; N305-L321 PolarHBondContact OD1-N 2.87Å
306D93.1Very high92.1Very high73 Ų7356.1 Ų56.139%0.3926%0.26SS..Hα-helixtrans-63.7-42.4178-74.2-13.2000112R302 V303 K310 M369R302-D306 WeakPolarHBondContact O-CB 3.48Å; R302-D306 PolarHBondContact O-N 3.31Å; V303-D306 PolarHBondContact O-N 3Å; D306-K310 WeakPolarHBondContact O-CB 3.36Å; D306-K310 WeakPolarHBondContact O-CG 3.49Å; D306-K310 PolarHBondContact O-N 2.89Å; D306-M369 HydrophobicContact CB-CE 4.36Å
307Y94.6Very high91.4Very high3 Ų363.7 Ų63.71%0.01230%0.301CS..Hα-helixtrans-64.5-46.5175.9179.7-96.4000111.5V303 I304 R309 K310 Q311 I313 M369 L372 M373 P376 V383V303-Y307 VanDerWaalsContact O-CB 3.27Å; V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 3.23Å; I304-Y307 PolarHBondContact O-N 3.32Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.18Å; Y307-K310 PolarHBondContact O-N 3.06Å; Y307-Q311 HydrophobicContact CD1-CG 4.35Å; Y307-Q311 HydrophobicContact CD2-CG 4.09Å; Y307-Q311 HydrophobicContact CE1-CG 3.95Å; Y307-Q311 HydrophobicContact CE2-CG 3.66Å; Y307-Q311 HydrophobicContact CG-CG 4.41Å; Y307-Q311 WeakPolarHBondContact O-CB 3.32Å; Y307-Q311 WeakPolarHBondContact O-CG 3.26Å; Y307-Q311 PolarHBondContact O-N 2.86Å; Y307-I313 HydrophobicContact CE1-CD1 4.21Å; Y307-M369 HydrophobicContact CD2-SD 4.24Å; Y307-L372 HydrophobicContact CD1-CD1 4.39Å; Y307-L372 HydrophobicContact CD2-CB 3.66Å; Y307-L372 HydrophobicContact CD2-CD1 4.21Å; Y307-L372 HydrophobicContact CE2-CB 3.66Å; Y307-L372 WeakPolarHBondContact CE2-O 3.4Å; Y307-L372 HydrophobicContact CG-CB 4.17Å; Y307-L372 HydrophobicContact CG-CD1 3.95Å; Y307-L372 PolarHBondContact OH-O 2.96Å; Y307-M373 HydrophobicContact CD2-SD 4.14Å; Y307-M373 HydrophobicContact CE2-SD 3.95Å; Y307-P376 WeakPolarHBondContact OH-CA 3.28Å; Y307-V383 HydrophobicContact CD1-CG2 3.99Å; Y307-V383 HydrophobicContact CE1-CG2 4.46Å
308A93.1Very high90.7Very high0 Ų063.9 Ų63.90%031%0.305CS..Hα-helixtrans-58.4-39.9178.500000112.6I304 N305 K312 I313 M314 V383I304-A308 VanDerWaalsContact O-CB 3.28Å; I304-A308 WeakPolarHBondContact O-CB 3.37Å; I304-A308 PolarHBondContact O-N 3.3Å; N305-A308 PolarHBondContact O-N 3.36Å; A308-K312 PolarHBondContact O-N 2.92Å; A308-I313 PolarHBondContact O-N 2.75Å; A308-M314 HydrophobicContact CB-CB 4.48Å; A308-M314 HydrophobicContact CB-CG 4.1Å; A308-M314 HydrophobicContact CB-SD 3.79Å; A308-M314 PolarHBondContact O-N 3.45Å; A308-V383 HydrophobicContact CB-CG1 3.66Å; A308-V383 HydrophobicContact CB-CG2 3.96Å
309R90.5Very high90.2Very high80 Ų8068.1 Ų68.130%0.30232%0.321SS..Hα-helixtrans-70.7-47.4175.4-71.6-173.7-178.9-91.7-5.8112N305 Y307 Q311 K312 D316 D318 N320N305-R309 WeakPolarHBondContact O-CG 3.2Å; N305-R309 PolarHBondContact O-N 3.42Å; N305-R309 VanDerWaalsContact O-N 3.08Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.18Å; R309-Q311 VanDerWaalsContact C-N 3.31Å; R309-Q311 PolarHBondContact O-N 2.85Å; R309-K312 PolarHBondContact O-N 2.85Å; R309-K312 VanDerWaalsContact O-N 3.07Å; R309-D316 PolarHBondContact NH1-O 3.01Å; R309-D318 PolarHBondContact NH2-O 2.83Å; R309-D318 VanDerWaalsContact NH2-O 3.16Å; R309-N320 PolarHBondContact NE-OD1 3.14Å; R309-N320 PolarHBondContact NH2-OD1 2.88Å
310K90.8Very high90Very high141 Ų14172.5 Ų72.561%0.61334%0.344SS*.Hα-helixtrans-60.5-38.4179.1-77.4177.4-177.4175.10112.9D306 Y307 K312 M369D306-K310 WeakPolarHBondContact O-CB 3.36Å; D306-K310 WeakPolarHBondContact O-CG 3.49Å; D306-K310 PolarHBondContact O-N 2.89Å; Y307-K310 PolarHBondContact O-N 3.06Å; K310-K312 VanDerWaalsContact C-N 3.29Å; K310-M369 HydrophobicContact CD-CE 3.73Å
311Q91.4Very high89.8Confident82 Ų8272.8 Ų72.838%0.38335%0.345SS..THydrogen-bonded Turntrans-85.53.2178.1-62.8-59.8-24.200113.8Y307 R309 I313 M373Y307-Q311 HydrophobicContact CD1-CG 4.35Å; Y307-Q311 HydrophobicContact CD2-CG 4.09Å; Y307-Q311 HydrophobicContact CE1-CG 3.95Å; Y307-Q311 HydrophobicContact CE2-CG 3.66Å; Y307-Q311 HydrophobicContact CG-CG 4.41Å; Y307-Q311 WeakPolarHBondContact O-CB 3.32Å; Y307-Q311 WeakPolarHBondContact O-CG 3.26Å; Y307-Q311 PolarHBondContact O-N 2.86Å; R309-Q311 VanDerWaalsContact C-N 3.31Å; R309-Q311 PolarHBondContact O-N 2.85Å; Q311-I313 HydrophobicContact CB-CD1 3.96Å; Q311-I313 HydrophobicContact CB-CG1 3.93Å; Q311-I313 PolarHBondContact O-N 3.37Å; Q311-M373 PolarHBondContact NE2-SD 2.83Å; Q311-M373 VanDerWaalsContact NE2-SD 3.42Å
312K88.2Confident89.6Confident184 Ų18473.3 Ų73.380%0.835%0.35SS*.THydrogen-bonded Turntrans54.833-179-55.8-179.7178.4-179.90113.7A308 R309 K310A308-K312 PolarHBondContact O-N 2.92Å; R309-K312 PolarHBondContact O-N 2.85Å; R309-K312 VanDerWaalsContact O-N 3.07Å; K310-K312 VanDerWaalsContact C-N 3.29Å
313I89.9Confident89.3Confident46 Ų4669 Ų6924%0.23634%0.339CS..SBendtrans-77.9-38.4175.1-57170.2000109.7Y307 A308 Q311 R380 V383 I387Y307-I313 HydrophobicContact CE1-CD1 4.21Å; A308-I313 PolarHBondContact O-N 2.75Å; Q311-I313 HydrophobicContact CB-CD1 3.96Å; Q311-I313 HydrophobicContact CB-CG1 3.93Å; Q311-I313 PolarHBondContact O-N 3.37Å; I313-R380 HydrophobicContact CD1-CB 4.49Å; I313-R380 HydrophobicContact CD1-CG 4.31Å; I313-V383 HydrophobicContact CB-CG1 4.16Å; I313-V383 HydrophobicContact CD1-CB 4.27Å; I313-V383 HydrophobicContact CD1-CG1 4.35Å; I313-V383 HydrophobicContact CD1-CG2 4.29Å; I313-V383 HydrophobicContact CG2-CB 4.39Å; I313-V383 HydrophobicContact CG2-CG1 3.62Å; I313-I387 HydrophobicContact CG2-CD1 4.16Å
314M86.2Confident88.9Confident10 Ų1074.5 Ų74.55%0.04936%0.364CS..SBendtrans-102.5146169.2-69.5173.165.500110A308 D318 E319 L321 I387A308-M314 HydrophobicContact CB-CB 4.48Å; A308-M314 HydrophobicContact CB-CG 4.1Å; A308-M314 HydrophobicContact CB-SD 3.79Å; A308-M314 PolarHBondContact O-N 3.45Å; M314-D318 HydrophobicContact CB-CB 4.39Å; M314-D318 HydrophobicContact CE-CB 4.04Å; M314-E319 WeakPolarHBondContact CE-O 3.39Å; M314-L321 HydrophobicContact CE-CG 4.33Å; M314-L321 HydrophobicContact SD-CD1 4.3Å; M314-L321 HydrophobicContact SD-CG 4.03Å; M314-I387 HydrophobicContact CG-CD1 3.98Å; M314-I387 HydrophobicContact CG-CG1 4.38Å
315K82.4Confident88.7Confident155 Ų15574.5 Ų74.567%0.67437%0.365SS*.  trans-75.8156.8174.8-60.6177.5-178.7176.70110.2N317 D318K315-N317 PolarHBondContact O-N 3.3Å; K315-N317 VanDerWaalsContact O-N 3.1Å; K315-D318 WeakPolarHBondContact CB-OD2 3.44Å; K315-D318 PolarHBondContact N-OD2 3.36Å; K315-D318 WeakPolarHBondContact O-CB 3.3Å; K315-D318 PolarHBondContact O-N 2.79Å
316D76.6Confident88.6Confident131 Ų13174.1 Ų74.170%0.70136%0.362SS*.THydrogen-bonded Turntrans-57.4-30.8179.5-69-36.4000113.1R309R309-D316 PolarHBondContact NH1-O 3.01Å
317N81.4Confident88.6Confident160 Ų16073 Ų7386%0.85635%0.353SS*.THydrogen-bonded Turntrans-89.9-4.5179.8-62.9-9.1000114.4K315K315-N317 PolarHBondContact O-N 3.3Å; K315-N317 VanDerWaalsContact O-N 3.1Å
318D81.8Confident88.3Confident68 Ų6874.3 Ų74.336%0.36436%0.359SS..SBendtrans-71.9141.5177.5-67.3-21.5000109.7R309 M314 K315R309-D318 PolarHBondContact NH2-O 2.83Å; R309-D318 VanDerWaalsContact NH2-O 3.16Å; M314-D318 HydrophobicContact CB-CB 4.39Å; M314-D318 HydrophobicContact CE-CB 4.04Å; K315-D318 WeakPolarHBondContact CB-OD2 3.44Å; K315-D318 PolarHBondContact N-OD2 3.36Å; K315-D318 WeakPolarHBondContact O-CB 3.3Å; K315-D318 PolarHBondContact O-N 2.79Å
319E84.6Confident87.9Confident144 Ų14474.3 Ų74.367%0.67336%0.359SS*.PPolyproline II helixtrans-62.9140173.1-73.2-175.8174.800110.2M314M314-E319 WeakPolarHBondContact CE-O 3.39Å
320N90.8Very high88.1Confident91 Ų9170.5 Ų70.549%0.48735%0.345SS..PPolyproline II helixtrans-61.1144.7174.9-76.4-15.7000110.9N305 R309 S322N305-N320 WeakPolarHBondContact OD1-CA 3.18Å; N305-N320 WeakPolarHBondContact OD1-CB 3.06Å; R309-N320 PolarHBondContact NE-OD1 3.14Å; R309-N320 PolarHBondContact NH2-OD1 2.88Å; N320-S322 PolarHBondContact O-N 3.16Å
321L92.2Very high88.3Confident7 Ų763.9 Ų63.94%0.03732%0.316CS..PPolyproline II helixtrans-63129.9170.1-58.8178.3000108.9I304 N305 M314 D325 V326 G386 I387 A390I304-L321 HydrophobicContact CG2-CD1 4.23Å; N305-L321 PolarHBondContact ND2-O 3.48Å; N305-L321 PolarHBondContact OD1-N 2.87Å; M314-L321 HydrophobicContact CE-CG 4.33Å; M314-L321 HydrophobicContact SD-CD1 4.3Å; M314-L321 HydrophobicContact SD-CG 4.03Å; L321-D325 HydrophobicContact CB-CB 4.24Å; L321-D325 HydrophobicContact CD2-CB 4.47Å; L321-V326 HydrophobicContact CB-CG2 3.7Å; L321-V326 HydrophobicContact CD1-CG2 4.37Å; L321-G386 WeakPolarHBondContact CD2-O 3.43Å; L321-I387 HydrophobicContact CD2-CG1 4.29Å; L321-A390 HydrophobicContact CD2-CB 3.69Å
322S92.2Very high88.5Confident38 Ų3860 Ų6027%0.26630%0.298SS..PPolyproline II helixtrans-72.5164.3174.872.80000111N320 E324 D325 V326N320-S322 PolarHBondContact O-N 3.16Å; S322-E324 PolarHBondContact O-N 2.87Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 2.98Å; S322-D325 PolarHBondContact N-OD2 3.13Å; S322-D325 PolarHBondContact O-N 3.04Å; S322-D325 VanDerWaalsContact O-N 3.13Å; S322-D325 PolarHBondContact OG-N 2.7Å; S322-D325 PolarHBondContact OG-OD1 2.81Å; S322-D325 PolarHBondContact OG-OD2 3.29Å; S322-V326 WeakPolarHBondContact O-CG2 3.14Å; S322-V326 PolarHBondContact O-N 3.41Å; S322-V326 VanDerWaalsContact O-N 3.07Å
323G89.7Confident88.8Confident17 Ų1751.2 Ų51.218%0.17526%0.26CS..Hα-helixtrans-59.7-31.1177.500000113.4T301 R327T301-G323 WeakPolarHBondContact OG1-CA 3.42Å; G323-R327 VanDerWaalsContact C-NH2 3.31Å; G323-R327 WeakPolarHBondContact O-CB 3.14Å; G323-R327 WeakPolarHBondContact O-CG 3.34Å; G323-R327 PolarHBondContact O-N 3.45Å; G323-R327 PolarHBondContact O-NE 3.12Å; G323-R327 PolarHBondContact O-NH1 2.85Å; G323-R327 VanDerWaalsContact O-NH1 3.16Å; G323-R327 PolarHBondContact O-NH2 3.27Å
324E86.7Confident89.1Confident120 Ų12049 Ų4956%0.56125%0.248SC*.Hα-helixtrans-68.1-47174.2-67.7179.6173.600111.2S322 V326 R327 E328S322-E324 PolarHBondContact O-N 2.87Å; E324-V326 PolarHBondContact O-N 3.31Å; E324-R327 PolarHBondContact O-N 2.98Å; E324-E328 PolarHBondContact O-N 3.43Å; E324-E328 VanDerWaalsContact O-N 3.08Å
325D90.8Very high89.5Confident4 Ų448.6 Ų48.62%0.02125%0.246CC..Hα-helixtrans-57.4-40.1179.2-55.6-39.3000111.1L321 S322 A389 A390 R393L321-D325 HydrophobicContact CB-CB 4.24Å; L321-D325 HydrophobicContact CD2-CB 4.47Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 2.98Å; S322-D325 PolarHBondContact N-OD2 3.13Å; S322-D325 PolarHBondContact O-N 3.04Å; S322-D325 VanDerWaalsContact O-N 3.13Å; S322-D325 PolarHBondContact OG-N 2.7Å; S322-D325 PolarHBondContact OG-OD1 2.81Å; S322-D325 PolarHBondContact OG-OD2 3.29Å; D325-A389 HydrophobicContact CB-CB 4.21Å; D325-A390 HydrophobicContact CB-CB 4.25Å; D325-A390 WeakPolarHBondContact OD1-CA 3.47Å; D325-R393 IonicContact OD1-CZ 3.34Å; D325-R393 IonicContact OD1-NE 3.11Å; D325-R393 PolarHBondContact OD1-NE 2.91Å; D325-R393 IonicContact OD1-NH2 3.67Å; D325-R393 IonicContact OD2-CZ 3.85Å; D325-R393 IonicContact OD2-NE 3.25Å; D325-R393 PolarHBondContact OD2-NE 3.38Å; D325-R393 IonicContact OD2-NH2 2.82Å; D325-R393 PolarHBondContact OD2-NH2 2.96Å
326V93.4Very high90Very high2 Ų241.2 Ų41.21%0.01221%0.214CC..Hα-helixtrans-72.9-27.5-179.3178.40000112.3Y269 L300 T301 I304 L321 S322 E324Y269-V326 VanDerWaalsContact CE1-O 3.25Å; Y269-V326 WeakPolarHBondContact CE1-O 3.39Å; Y269-V326 VanDerWaalsContact CZ-O 3.31Å; Y269-V326 PolarHBondContact OH-O 3.37Å; L300-V326 HydrophobicContact CD2-CG1 4.03Å; L300-V326 HydrophobicContact CG-CG1 3.82Å; T301-V326 HydrophobicContact CG2-CG2 4.4Å; I304-V326 HydrophobicContact CB-CG1 4.21Å; I304-V326 HydrophobicContact CD1-CG1 3.32Å; I304-V326 HydrophobicContact CG1-CG1 4.27Å; I304-V326 HydrophobicContact CG2-CG1 4.36Å; I304-V326 HydrophobicContact CG2-CG2 4.28Å; L321-V326 HydrophobicContact CB-CG2 3.7Å; L321-V326 HydrophobicContact CD1-CG2 4.37Å; S322-V326 WeakPolarHBondContact O-CG2 3.14Å; S322-V326 PolarHBondContact O-N 3.41Å; S322-V326 VanDerWaalsContact O-N 3.07Å; E324-V326 PolarHBondContact O-N 3.31Å
327R93.6Very high90.6Very high49 Ų4936 Ų3619%0.18519%0.186CC..Hα-helixtrans-95.8-4.6-178.1-69.5-174.9-64.1-90.30.7113.7T275 L300 G323 E324 G329 L330T275-R327 HydrophobicContact CG2-CB 3.89Å; T275-R327 WeakPolarHBondContact OG1-CB 3.41Å; T275-R327 PolarHBondContact OG1-O 3.17Å; L300-R327 HydrophobicContact CD2-CG 3.99Å; G323-R327 VanDerWaalsContact C-NH2 3.31Å; G323-R327 WeakPolarHBondContact O-CB 3.14Å; G323-R327 WeakPolarHBondContact O-CG 3.34Å; G323-R327 PolarHBondContact O-N 3.45Å; G323-R327 PolarHBondContact O-NE 3.12Å; G323-R327 PolarHBondContact O-NH1 2.85Å; G323-R327 VanDerWaalsContact O-NH1 3.16Å; G323-R327 PolarHBondContact O-NH2 3.27Å; E324-R327 PolarHBondContact O-N 2.98Å; R327-G329 PolarHBondContact O-N 3.35Å; R327-L330 HydrophobicContact CB-CD2 4.35Å; R327-L330 HydrophobicContact CG-CD2 4Å; R327-L330 WeakPolarHBondContact O-CB 3.3Å; R327-L330 PolarHBondContact O-N 3.12Å
328E87.6Confident90.9Very high32 Ų3229 Ų2915%0.1515%0.147CC..THydrogen-bonded Turntrans-59.2122178.5-167.7-169.9102.300110.9Y273 E324 L330 K385 A389Y273-E328 HydrophobicContact CD1-CG 4.49Å; Y273-E328 VanDerWaalsContact O-CG 3.32Å; Y273-E328 WeakPolarHBondContact O-CG 3.49Å; E324-E328 PolarHBondContact O-N 3.43Å; E324-E328 VanDerWaalsContact O-N 3.08Å; E328-L330 PolarHBondContact O-N 3.08Å; E328-K385 WeakPolarHBondContact O-CE 3.46Å; E328-K385 IonicContact OE1-NZ 3.53Å; E328-K385 PolarHBondContact OE1-NZ 3.17Å; E328-A389 HydrophobicContact CB-CB 3.85Å; E328-A389 HydrophobicContact CG-CB 4.21Å; E328-A389 WeakPolarHBondContact OE2-CA 3.44Å; E328-A389 WeakPolarHBondContact OE2-CB 3.5Å
329G85.2Confident90.8Very high0 Ų028.3 Ų28.30%015%0.147CC..THydrogen-bonded Turntrans7310.4-177.600000114.8Y269 T270 G272 H274 R327Y269-G329 CarbonylContact C-O 3.5Å; Y269-G329 WeakPolarHBondContact CA-O 3.49Å; T270-G329 PolarHBondContact N-O 3.31Å; T270-G329 PolarHBondContact OG1-O 2.95Å; G272-G329 WeakPolarHBondContact O-CA 2.99Å; G272-G329 PolarHBondContact O-N 3.24Å; H274-G329 VanDerWaalsContact O-CA 3.27Å; H274-G329 WeakPolarHBondContact O-CA 3.32Å; H274-G329 PolarHBondContact O-N 3.33Å; R327-G329 PolarHBondContact O-N 3.35Å
330L94.4Very high90.6Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-81.2125.2179.3176.966.4000111M267 Y269 T275 N276 F296 L300 R327 E328 A332M267-L330 HydrophobicContact CB-CD1 3.9Å; M267-L330 HydrophobicContact CE-CD1 3.5Å; M267-L330 VanDerWaalsContact CE-CD1 3.5Å; Y269-L330 HydrophobicContact CD1-CB 4.31Å; Y269-L330 HydrophobicContact CD2-CD1 4.18Å; Y269-L330 HydrophobicContact CE1-CB 3.95Å; Y269-L330 HydrophobicContact CE1-CD1 4.28Å; Y269-L330 HydrophobicContact CE2-CD1 3.82Å; T275-L330 CarbonylContact C-O 3.56Å; T275-L330 WeakPolarHBondContact CA-O 3.31Å; T275-L330 HydrophobicContact CG2-CB 4.47Å; N276-L330 PolarHBondContact N-O 3.16Å; F296-L330 HydrophobicContact CE1-CD2 4.43Å; F296-L330 HydrophobicContact CZ-CD2 4.26Å; L300-L330 HydrophobicContact CD2-CD2 3.58Å; R327-L330 HydrophobicContact CB-CD2 4.35Å; R327-L330 HydrophobicContact CG-CD2 4Å; R327-L330 WeakPolarHBondContact O-CB 3.3Å; R327-L330 PolarHBondContact O-N 3.12Å; E328-L330 PolarHBondContact O-N 3.08Å; L330-A332 HydrophobicContact CD1-CB 4.36Å; L330-A332 HydrophobicContact CD2-CB 4.38Å; L330-A332 HydrophobicContact CG-CB 4.21Å
331T94.5Very high90.2Very high1 Ų124.8 Ų24.81%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-105124.4159.5-60.80000108.8V237 L240 N241 M267 Q268 N276V237-T331 HydrophobicContact CG1-CG2 4.31Å; L240-T331 HydrophobicContact CB-CG2 3.78Å; L240-T331 HydrophobicContact CD1-CG2 3.94Å; N241-T331 VanDerWaalsContact OD1-CB 3.28Å; N241-T331 WeakPolarHBondContact OD1-CB 3.47Å; N241-T331 PolarHBondContact OD1-OG1 3.4Å; M267-T331 CarbonylContact C-O 3.53Å; M267-T331 VanDerWaalsContact CA-O 3.27Å; M267-T331 WeakPolarHBondContact CA-O 3.37Å; Q268-T331 PolarHBondContact N-O 2.95Å; Q268-T331 PolarHBondContact O-N 2.97Å; N276-T331 HydrophobicContact CB-CG2 4.36Å; N276-T331 CarbonylContact O-C 3.57Å; N276-T331 VanDerWaalsContact O-CA 3.24Å; N276-T331 WeakPolarHBondContact O-CA 3.36Å
332A95.8Very high89.8Confident0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-139.6142.1179.800000112.7A266 M267 N276 I277 L278 F296 L330A266-A332 CarbonylContact O-C 3.48Å; A266-A332 VanDerWaalsContact O-CA 3.25Å; A266-A332 WeakPolarHBondContact O-CA 3.3Å; M267-A332 HydrophobicContact CB-CB 3.88Å; N276-A332 PolarHBondContact O-N 2.8Å; I277-A332 WeakPolarHBondContact CA-O 3.25Å; I277-A332 HydrophobicContact CG1-CB 4.33Å; L278-A332 PolarHBondContact N-O 2.73Å; F296-A332 HydrophobicContact CE1-CB 4.29Å; F296-A332 HydrophobicContact CZ-CB 3.93Å; L330-A332 HydrophobicContact CD1-CB 4.36Å; L330-A332 HydrophobicContact CD2-CB 4.38Å; L330-A332 HydrophobicContact CG-CB 4.21Å
333V95.9Very high89.4Confident0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-117.8122.5172.2176.50000108.2I233 Y236 V237 L240 V265 A266 L278 F280I233-V333 HydrophobicContact CB-CB 4.35Å; I233-V333 HydrophobicContact CB-CG1 3.84Å; I233-V333 HydrophobicContact CG2-CG1 3.78Å; Y236-V333 HydrophobicContact CD1-CG1 4.15Å; Y236-V333 HydrophobicContact CD1-CG2 4.02Å; Y236-V333 HydrophobicContact CG-CG2 4.22Å; V237-V333 HydrophobicContact CG2-CB 4.14Å; V237-V333 HydrophobicContact CG2-CG2 3.76Å; L240-V333 HydrophobicContact CD1-CG2 3.85Å; V265-V333 WeakPolarHBondContact CA-O 3.49Å; A266-V333 PolarHBondContact N-O 2.64Å; A266-V333 PolarHBondContact O-N 3.29Å; L278-V333 HydrophobicContact CB-CG2 4.47Å; L278-V333 CarbonylContact O-C 3.38Å; L278-V333 WeakPolarHBondContact O-CA 3.47Å; F280-V333 HydrophobicContact CD2-CG1 4.11Å; F280-V333 HydrophobicContact CE2-CG1 3.98Å
334I95.9Very high88.8Confident0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-115.7111.3-177.7-53.9161.1000107.3V265 I277 L278 S279 F280 E293 F296V265-I334 HydrophobicContact CG1-CG1 4.4Å; V265-I334 HydrophobicContact CG2-CG1 4.49Å; V265-I334 HydrophobicContact CG2-CG2 4.21Å; I277-I334 HydrophobicContact CG2-CD1 3.65Å; L278-I334 PolarHBondContact O-N 3.19Å; S279-I334 CarbonylContact C-O 3.59Å; S279-I334 WeakPolarHBondContact CA-O 3.17Å; F280-I334 PolarHBondContact N-O 2.86Å; E293-I334 HydrophobicContact CB-CD1 4.41Å; E293-I334 HydrophobicContact CG-CD1 4.07Å; F296-I334 HydrophobicContact CB-CD1 3.85Å; F296-I334 HydrophobicContact CB-CG1 4.48Å; F296-I334 HydrophobicContact CD1-CD1 3.32Å; F296-I334 HydrophobicContact CD1-CG1 4.13Å; F296-I334 HydrophobicContact CD2-CD1 4.38Å; F296-I334 HydrophobicContact CD2-CG1 4.42Å; F296-I334 HydrophobicContact CE1-CD1 3.91Å; F296-I334 HydrophobicContact CE1-CG1 4.48Å; F296-I334 HydrophobicContact CG-CD1 3.59Å; F296-I334 HydrophobicContact CG-CG1 4.08Å
335S94.3Very high87.9Confident1 Ų131.2 Ų31.21%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-117.6124.7179.6-176.40000109.8E264E264-S335 PolarHBondContact N-O 3.14Å; E264-S335 PolarHBondContact O-N 3.11Å
336I93Very high86.6Confident0 Ų036.6 Ų36.60%019%0.188CC..EExtended strand (participates in β ladder)trans-115.9148.8173.473.7165000111.3T262 V263 F280 A281 N282 H292 L351 V356T262-I336 CarbonylContact O-C 3.55Å; T262-I336 VanDerWaalsContact O-CA 3.26Å; T262-I336 WeakPolarHBondContact O-CA 3.28Å; V263-I336 HydrophobicContact CG1-CG2 4.44Å; V263-I336 HydrophobicContact CG2-CG2 4.09Å; F280-I336 WeakPolarHBondContact O-CG1 3.29Å; F280-I336 PolarHBondContact O-N 3.04Å; A281-I336 HydrophobicContact CB-CD1 3.96Å; A281-I336 HydrophobicContact CB-CG1 3.73Å; N282-I336 PolarHBondContact N-O 3.45Å; H292-I336 HydrophobicContact CB-CD1 4.09Å; H292-I336 HydrophobicContact CB-CG2 3.9Å; I336-L351 HydrophobicContact CD1-CD2 3.29Å; I336-V356 HydrophobicContact CD1-CG1 3.65Å; I336-V356 HydrophobicContact CD1-CG2 4.47Å
337K88.8Confident85Confident23 Ų2341 Ų4110%0.122%0.215CC..EExtended strand (participates in β ladder)trans-117.7113.6170.5-55.3-64.8178.5168.60107.5V120 L206 I261 T262 N282 N283V120-K337 HydrophobicContact CG1-CB 4.04Å; V120-K337 HydrophobicContact CG2-CB 4.36Å; L206-K337 PolarHBondContact O-NZ 3.17Å; I261-K337 WeakPolarHBondContact CA-O 2.99Å; T262-K337 PolarHBondContact N-O 2.76Å; T262-K337 PolarHBondContact O-N 3.35Å; N282-K337 VanDerWaalsContact OD1-CA 3.31Å; N282-K337 WeakPolarHBondContact OD1-CA 3.46Å; N283-K337 PolarHBondContact OD1-NZ 3.22Å
338H87.7Confident84.1Confident11 Ų1140 Ų405%0.05121%0.212CC..  trans-122.7133.3-174.1-169.6-77.5000110.3N282 E340 P341 N353 E355 V356N282-H338 PolarHBondContact ND2-O 2.95Å; N282-H338 PolarHBondContact OD1-N 3.47Å; N282-H338 PolarHBondContact OD1-O 2.87Å; H338-E340 PolarHBondContact CE1-O 2.83Å; H338-E340 WeakPolarHBondContact ND1-CA 3.4Å; H338-E340 PolarHBondContact ND1-N 3.22Å; H338-E340 PolarHBondContact ND1-O 2.96Å; H338-P341 HydrophobicContact CB-CB 4.3Å; H338-P341 VanDerWaalsContact ND1-N 3.17Å; H338-P341 WeakPolarHBondContact O-CD 3.24Å; H338-N353 PolarHBondContact CE1-ND2 3.03Å; H338-E355 IonicContact NE2-OE1 3.44Å; H338-V356 WeakPolarHBondContact CD2-CG2 3.22Å
339P79.4Confident83.7Confident55 Ų5538.7 Ų38.736%0.35721%0.207SC..SBendtrans-63.7-41.6-179.9-24.134.3000113.7D260D260-P339 HydrophobicContact CB-CG 3.9Å; D260-P339 WeakPolarHBondContact O-CD 3.35Å; D260-P339 WeakPolarHBondContact O-CG 3.31Å
340E80.7Confident83.7Confident150 Ų15041.7 Ų41.770%0.70122%0.22SC*.SBendtrans-130.966.6-176-62.4-173.3162.300112.9H338 N353H338-E340 PolarHBondContact CE1-O 2.83Å; H338-E340 WeakPolarHBondContact ND1-CA 3.4Å; H338-E340 PolarHBondContact ND1-N 3.22Å; H338-E340 PolarHBondContact ND1-O 2.96Å; E340-N353 PolarHBondContact O-ND2 3.19Å
341P82.5Confident83.5Confident10 Ų1041.8 Ų41.87%0.06522%0.22CC..  trans-69.8136-176.231.9-37.4000111.2L124 N282 H338 F343 L351 N353L124-P341 HydrophobicContact CD1-CG 3.99Å; L124-P341 HydrophobicContact CD2-CG 3.49Å; L124-P341 VanDerWaalsContact CD2-CG 3.49Å; L124-P341 HydrophobicContact CG-CG 4.29Å; N282-P341 WeakPolarHBondContact ND2-CG 3.27Å; H338-P341 HydrophobicContact CB-CB 4.3Å; H338-P341 VanDerWaalsContact ND1-N 3.17Å; H338-P341 WeakPolarHBondContact O-CD 3.24Å; P341-F343 HydrophobicContact CB-CD2 4.46Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.22Å; P341-F343 HydrophobicContact CG-CE2 4.02Å; P341-L351 HydrophobicContact CB-CD1 4Å; P341-N353 WeakPolarHBondContact CA-OD1 3.48Å
342Q84.3Confident83.3Confident130 Ų13043.1 Ų43.161%0.60723%0.234SC*.  trans-112.6120.3174.9-63.9-174.9-2.800108.2G352 N353Q342-G352 PolarHBondContact O-N 3.43Å; Q342-N353 PolarHBondContact N-OD1 3.29Å; Q342-N353 PolarHBondContact O-OD1 3.17Å
343F82.5Confident83Confident35 Ų3543.3 Ų43.315%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-105.4149.7177.7-63.8-90.4000111.1L124 A281 I284 T286 P341 G345 K348 K350 L351L124-F343 HydrophobicContact CD1-CD2 4.07Å; L124-F343 HydrophobicContact CD1-CE2 3.93Å; A281-F343 HydrophobicContact CB-CE1 4.05Å; A281-F343 HydrophobicContact CB-CZ 3.92Å; I284-F343 HydrophobicContact CB-CZ 4.39Å; I284-F343 HydrophobicContact CD1-CE2 4.04Å; I284-F343 HydrophobicContact CD1-CZ 3.87Å; T286-F343 HydrophobicContact CG2-CD1 4.35Å; T286-F343 HydrophobicContact CG2-CE1 3.75Å; P341-F343 HydrophobicContact CB-CD2 4.46Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.22Å; P341-F343 HydrophobicContact CG-CE2 4.02Å; F343-G345 PolarHBondContact O-N 3.29Å; F343-K348 HydrophobicContact CB-CB 4.19Å; F343-K348 HydrophobicContact CB-CG 4.47Å; F343-K348 HydrophobicContact CD1-CB 3.91Å; F343-K348 WeakPolarHBondContact CD1-O 3.41Å; F343-K348 HydrophobicContact CD2-CB 3.91Å; F343-K348 HydrophobicContact CD2-CD 4.38Å; F343-K348 HydrophobicContact CD2-CG 3.99Å; F343-K348 HydrophobicContact CE1-CB 4.23Å; F343-K348 WeakPolarHBondContact CE1-O 3.2Å; F343-K348 HydrophobicContact CE2-CB 4.23Å; F343-K348 HydrophobicContact CE2-CD 4.41Å; F343-K348 HydrophobicContact CE2-CG 4.43Å; F343-K348 HydrophobicContact CG-CB 3.74Å; F343-K348 HydrophobicContact CG-CG 4.19Å; F343-K348 HydrophobicContact CZ-CB 4.38Å; F343-K350 CarbonylContact C-O 3.46Å; F343-K350 WeakPolarHBondContact CA-O 3.36Å; F343-L351 HydrophobicContact CD1-CD1 4.32Å; F343-L351 HydrophobicContact CE1-CD1 4.05Å; F343-L351 HydrophobicContact CZ-CD1 4.24Å
344E77.7Confident82.7Confident99 Ų9947.5 Ų47.546%0.46327%0.265SS..EExtended strand (participates in β ladder)trans-74.4113.1165.9-64.1-179.3-162.200108.2K350E344-K350 HydrophobicContact CB-CB 4.28Å; E344-K350 VanDerWaalsContact CD-NZ 3.26Å; E344-K350 PolarHBondContact N-O 3.26Å; E344-K350 WeakPolarHBondContact OE1-CE 3.41Å; E344-K350 IonicContact OE1-NZ 2.85Å; E344-K350 PolarHBondContact OE1-NZ 3.07Å; E344-K350 WeakPolarHBondContact OE2-CD 3.44Å; E344-K350 WeakPolarHBondContact OE2-CE 3.42Å; E344-K350 IonicContact OE2-NZ 3.11Å; E344-K350 PolarHBondContact OE2-NZ 3.3Å
345G68.1Low82.5Confident53 Ų5351 Ų5155%0.54628%0.281SS..THydrogen-bonded Turntrans81.5165.6-179.400000115F343 T347F343-G345 PolarHBondContact O-N 3.29Å; G345-T347 VanDerWaalsContact C-N 3.33Å
346Q62.8Low82.4Confident118 Ų11851 Ų5155%0.55128%0.281SS*.THydrogen-bonded Turntrans-74.3-23.5-176.8-176.259.525.300113.1K348Q346-K348 PolarHBondContact O-N 3.36Å
347T61.3Low82.5Confident94 Ų9456.8 Ų56.858%0.57730%0.303SS*.THydrogen-bonded Turntrans-71.6-8.1179.947.20000113.3G345 T349G345-T347 VanDerWaalsContact C-N 3.33Å; T347-T349 WeakPolarHBondContact O-CG2 3.31Å; T347-T349 PolarHBondContact O-N 2.93Å; T347-T349 WeakPolarHBondContact OG1-CG2 3.45Å
348K74.6Confident82.7Confident27 Ų2760.4 Ų60.412%0.11733%0.327CS..THydrogen-bonded Turntrans57.838.7176.1-51179.5-162.21590114.5I284 F343 Q346I284-K348 HydrophobicContact CD1-CB 4.41Å; I284-K348 HydrophobicContact CD1-CD 3.62Å; I284-K348 HydrophobicContact CG2-CB 3.96Å; I284-K348 WeakPolarHBondContact CG2-O 3.5Å; F343-K348 HydrophobicContact CB-CB 4.19Å; F343-K348 HydrophobicContact CB-CG 4.47Å; F343-K348 HydrophobicContact CD1-CB 3.91Å; F343-K348 WeakPolarHBondContact CD1-O 3.41Å; F343-K348 HydrophobicContact CD2-CB 3.91Å; F343-K348 HydrophobicContact CD2-CD 4.38Å; F343-K348 HydrophobicContact CD2-CG 3.99Å; F343-K348 HydrophobicContact CE1-CB 4.23Å; F343-K348 WeakPolarHBondContact CE1-O 3.2Å; F343-K348 HydrophobicContact CE2-CB 4.23Å; F343-K348 HydrophobicContact CE2-CD 4.41Å; F343-K348 HydrophobicContact CE2-CG 4.43Å; F343-K348 HydrophobicContact CG-CB 3.74Å; F343-K348 HydrophobicContact CG-CG 4.19Å; F343-K348 HydrophobicContact CZ-CB 4.38Å; Q346-K348 PolarHBondContact O-N 3.36Å
349T77.5Confident83Confident6 Ų660 Ų604%0.03733%0.325CS..  trans-93.1-21.3-16960.50000113.6T286 Y287 E288 T347T286-T349 CarbonylContact C-O 3.57Å; T286-T349 WeakPolarHBondContact CA-O 3.12Å; T286-T349 WeakPolarHBondContact CB-O 3.46Å; Y287-T349 HydrophobicContact CD1-CG2 4.22Å; Y287-T349 HydrophobicContact CE1-CG2 3.26Å; Y287-T349 VanDerWaalsContact CZ-CG2 3.45Å; Y287-T349 PolarHBondContact N-O 3.39Å; Y287-T349 VanDerWaalsContact OH-CG2 3.24Å; Y287-T349 WeakPolarHBondContact OH-CG2 3.34Å; E288-T349 PolarHBondContact N-O 3.02Å; E288-T349 PolarHBondContact OE1-OG1 3.34Å; E288-T349 VanDerWaalsContact OE1-OG1 3.1Å; T347-T349 WeakPolarHBondContact O-CG2 3.31Å; T347-T349 PolarHBondContact O-N 2.93Å; T347-T349 WeakPolarHBondContact OG1-CG2 3.45Å
350K86.4Confident83.7Confident63 Ų6357.3 Ų57.327%0.27431%0.308SS..EExtended strand (participates in β ladder)trans-137.4128.7-178.9-173.7172.2164.4-149.80111.9E288 G289 F343 E344E288-K350 HydrophobicContact CB-CB 3.86Å; E288-K350 HydrophobicContact CB-CD 4.26Å; E288-K350 HydrophobicContact CB-CG 4.35Å; G289-K350 VanDerWaalsContact O-CA 3.32Å; G289-K350 WeakPolarHBondContact O-CA 3.21Å; F343-K350 CarbonylContact C-O 3.46Å; F343-K350 WeakPolarHBondContact CA-O 3.36Å; E344-K350 HydrophobicContact CB-CB 4.28Å; E344-K350 VanDerWaalsContact CD-NZ 3.26Å; E344-K350 PolarHBondContact N-O 3.26Å; E344-K350 WeakPolarHBondContact OE1-CE 3.41Å; E344-K350 IonicContact OE1-NZ 2.85Å; E344-K350 PolarHBondContact OE1-NZ 3.07Å; E344-K350 WeakPolarHBondContact OE2-CD 3.44Å; E344-K350 WeakPolarHBondContact OE2-CE 3.42Å; E344-K350 IonicContact OE2-NZ 3.11Å; E344-K350 PolarHBondContact OE2-NZ 3.3Å
351L89.7Confident84.3Confident1 Ų151.6 Ų51.61%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-83.1127.8179.8-169.676.1000111.9A281 T286 G289 G290 T291 H292 I336 P341 F343 N353 V356A281-L351 HydrophobicContact CB-CD1 4.03Å; A281-L351 HydrophobicContact CB-CD2 4.4Å; T286-L351 HydrophobicContact CG2-CB 4.45Å; G289-L351 PolarHBondContact O-N 3.22Å; G290-L351 VanDerWaalsContact CA-O 3.28Å; G290-L351 WeakPolarHBondContact CA-O 3.25Å; T291-L351 PolarHBondContact N-O 2.99Å; H292-L351 HydrophobicContact CB-CD2 4.24Å; I336-L351 HydrophobicContact CD1-CD2 3.29Å; P341-L351 HydrophobicContact CB-CD1 4Å; F343-L351 HydrophobicContact CD1-CD1 4.32Å; F343-L351 HydrophobicContact CE1-CD1 4.05Å; F343-L351 HydrophobicContact CZ-CD1 4.24Å; L351-N353 WeakPolarHBondContact CD1-OD1 3.41Å; L351-V356 HydrophobicContact CD2-CB 4.23Å; L351-V356 HydrophobicContact CD2-CG1 3.76Å; L351-V356 HydrophobicContact CD2-CG2 4.27Å
352G89.8Confident84.9Confident30 Ų3057.2 Ų57.231%0.30930%0.302SS..  trans-105.5-5.7-17500000116.3Q342 S354Q342-G352 PolarHBondContact O-N 3.43Å; G352-S354 PolarHBondContact O-N 3.43Å; G352-S354 VanDerWaalsContact O-N 3.15Å
353N91Very high85.4Confident3 Ų351.7 Ų51.72%0.01628%0.277CS..  trans-63.5112.3-179-69.186.9000112.4T291 H338 E340 P341 Q342 L351 E355 V356T291-N353 WeakPolarHBondContact CB-O 3.45Å; T291-N353 VanDerWaalsContact CG2-O 3.27Å; T291-N353 WeakPolarHBondContact CG2-O 3.42Å; T291-N353 PolarHBondContact OG1-O 2.79Å; H338-N353 PolarHBondContact CE1-ND2 3.03Å; E340-N353 PolarHBondContact O-ND2 3.19Å; P341-N353 WeakPolarHBondContact CA-OD1 3.48Å; Q342-N353 PolarHBondContact N-OD1 3.29Å; Q342-N353 PolarHBondContact O-OD1 3.17Å; L351-N353 WeakPolarHBondContact CD1-OD1 3.41Å; N353-E355 VanDerWaalsContact C-N 3.34Å; N353-E355 WeakPolarHBondContact CB-OE1 3.24Å; N353-E355 PolarHBondContact ND2-OE1 3.16Å; N353-E355 PolarHBondContact O-N 3.29Å; N353-V356 HydrophobicContact CB-CB 4.09Å; N353-V356 HydrophobicContact CB-CG2 3.48Å; N353-V356 VanDerWaalsContact CB-CG2 3.48Å; N353-V356 WeakPolarHBondContact O-CB 3.26Å; N353-V356 PolarHBondContact O-N 3.19Å
354S89.7Confident86Confident89 Ų8950.1 Ų50.162%0.62227%0.27SS*.Hα-helixtrans-64.5-34.9-174.667.10000114.2G352 V356 R357G352-S354 PolarHBondContact O-N 3.43Å; G352-S354 VanDerWaalsContact O-N 3.15Å; S354-V356 VanDerWaalsContact C-N 3.35Å; S354-R357 WeakPolarHBondContact O-CB 3.47Å; S354-R357 PolarHBondContact O-N 2.82Å
355E91.6Very high86.8Confident73 Ų7346.1 Ų46.134%0.34125%0.253SS..Hα-helixtrans-65.6-36.4179.660.7-77.6-177.700112I261 H338 N353 R357 T358 V359I261-E355 HydrophobicContact CD1-CG 4.47Å; H338-E355 IonicContact NE2-OE1 3.44Å; N353-E355 VanDerWaalsContact C-N 3.34Å; N353-E355 WeakPolarHBondContact CB-OE1 3.24Å; N353-E355 PolarHBondContact ND2-OE1 3.16Å; N353-E355 PolarHBondContact O-N 3.29Å; E355-R357 PolarHBondContact O-N 3.09Å; E355-T358 PolarHBondContact O-N 2.84Å; E355-V359 PolarHBondContact O-N 3.1Å
356V92.2Very high88.1Confident0 Ų048.7 Ų48.70%025%0.25CS..Hα-helixtrans-60.2-33.9-179.2173.60000111.8I261 H292 I336 H338 L351 N353 S354 T358 V359 T360I261-V356 HydrophobicContact CD1-CG2 4.14Å; H292-V356 HydrophobicContact CB-CG1 3.63Å; I336-V356 HydrophobicContact CD1-CG1 3.65Å; I336-V356 HydrophobicContact CD1-CG2 4.47Å; H338-V356 WeakPolarHBondContact CD2-CG2 3.22Å; L351-V356 HydrophobicContact CD2-CB 4.23Å; L351-V356 HydrophobicContact CD2-CG1 3.76Å; L351-V356 HydrophobicContact CD2-CG2 4.27Å; N353-V356 HydrophobicContact CB-CB 4.09Å; N353-V356 HydrophobicContact CB-CG2 3.48Å; N353-V356 VanDerWaalsContact CB-CG2 3.48Å; N353-V356 WeakPolarHBondContact O-CB 3.26Å; N353-V356 PolarHBondContact O-N 3.19Å; S354-V356 VanDerWaalsContact C-N 3.35Å; V356-T358 VanDerWaalsContact C-N 3.32Å; V356-T358 PolarHBondContact O-N 3.1Å; V356-V359 PolarHBondContact O-N 2.89Å; V356-T360 VanDerWaalsContact O-CB 3.27Å; V356-T360 WeakPolarHBondContact O-CB 3.46Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.25Å
357R93.6Very high89.6Confident122 Ų12245.4 Ų45.446%0.4624%0.236SC..Hα-helixtrans-57.2-46.7174.3175.5-178.2165.5178.2-3111.7T291 F294 S354 E355 D361T291-R357 VanDerWaalsContact O-CA 3.25Å; T291-R357 WeakPolarHBondContact O-CA 3.37Å; T291-R357 WeakPolarHBondContact O-CB 3.43Å; F294-R357 HydrophobicContact CD1-CG 4.07Å; F294-R357 VanDerWaalsContact CE1-NH2 3.33Å; S354-R357 WeakPolarHBondContact O-CB 3.47Å; S354-R357 PolarHBondContact O-N 2.82Å; E355-R357 PolarHBondContact O-N 3.09Å; R357-D361 VanDerWaalsContact O-CB 3.29Å; R357-D361 WeakPolarHBondContact O-CB 3.25Å; R357-D361 PolarHBondContact O-N 3.05Å
358T93.4Very high91.3Very high99 Ų9940.9 Ų40.961%0.60721%0.209SC*.Hα-helixtrans-73-40.2-176-51.60000110.9E355 V356 R362E355-T358 PolarHBondContact O-N 2.84Å; V356-T358 VanDerWaalsContact C-N 3.32Å; V356-T358 PolarHBondContact O-N 3.1Å; T358-R362 WeakPolarHBondContact O-CB 3.47Å; T358-R362 PolarHBondContact O-N 3.35Å; T358-R362 VanDerWaalsContact O-N 3.07Å
359V93.6Very high92.3Very high2 Ų241.3 Ų41.31%0.01221%0.212CC..Hα-helixtrans-63.4-48.8176.7171.80000111.1Q258 I261 V263 E355 V356 D361 R362 L363Q258-V359 HydrophobicContact CB-CG1 4.07Å; I261-V359 HydrophobicContact CB-CG1 4.19Å; I261-V359 HydrophobicContact CD1-CG2 4.25Å; I261-V359 HydrophobicContact CG2-CG1 4.17Å; V263-V359 HydrophobicContact CG2-CG1 4.26Å; E355-V359 PolarHBondContact O-N 3.1Å; V356-V359 PolarHBondContact O-N 2.89Å; V359-D361 PolarHBondContact O-N 2.79Å; V359-R362 PolarHBondContact O-N 2.85Å; V359-L363 HydrophobicContact CG1-CD1 3.67Å; V359-L363 HydrophobicContact CG1-CG 4.32Å; V359-L363 WeakPolarHBondContact O-CB 3.32Å; V359-L363 WeakPolarHBondContact O-CG 3.46Å; V359-L363 PolarHBondContact O-N 2.94Å
360T94.1Very high93.1Very high0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-62.6-45.2178.9-52.40000111.4V263 H292 F296 V356 R362 F364V263-T360 HydrophobicContact CG1-CG2 4.03Å; H292-T360 VanDerWaalsContact O-CG2 3.31Å; H292-T360 WeakPolarHBondContact O-CG2 3.02Å; F296-T360 HydrophobicContact CB-CG2 4.22Å; V356-T360 VanDerWaalsContact O-CB 3.27Å; V356-T360 WeakPolarHBondContact O-CB 3.46Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.25Å; T360-R362 PolarHBondContact O-N 3.1Å; T360-F364 WeakPolarHBondContact O-CB 3.31Å; T360-F364 PolarHBondContact O-N 3.45Å
361D95Very high93.5Very high30 Ų3045.7 Ų45.716%0.1623%0.23CC..Hα-helixtrans-57.8-46.7177.6177.8-76.9000111.8A299 R302 R357 V359 S365A299-D361 HydrophobicContact CB-CB 4.38Å; R302-D361 IonicContact CZ-OD1 2.82Å; R302-D361 IonicContact CZ-OD2 3.55Å; R302-D361 IonicContact NH1-OD1 2.95Å; R302-D361 PolarHBondContact NH1-OD1 3.01Å; R302-D361 IonicContact NH1-OD2 3.81Å; R302-D361 IonicContact NH2-OD1 3.75Å; R302-D361 PolarHBondContact NH2-OD1 2.85Å; R302-D361 IonicContact NH2-OD2 2.67Å; R357-D361 VanDerWaalsContact O-CB 3.29Å; R357-D361 WeakPolarHBondContact O-CB 3.25Å; R357-D361 PolarHBondContact O-N 3.05Å; V359-D361 PolarHBondContact O-N 2.79Å; D361-S365 WeakPolarHBondContact O-CB 3.29Å; D361-S365 PolarHBondContact O-N 3.03Å; D361-S365 PolarHBondContact O-OG 3.18Å
362R94Very high93.7Very high128 Ų12845.7 Ų45.748%0.48323%0.23SC..Hα-helixtrans-69.6-54.7-176.8-174177.4-178.2174.1-0.6112.4T358 V359 T360 F364 S365 E366T358-R362 WeakPolarHBondContact O-CB 3.47Å; T358-R362 PolarHBondContact O-N 3.35Å; T358-R362 VanDerWaalsContact O-N 3.07Å; V359-R362 PolarHBondContact O-N 2.85Å; T360-R362 PolarHBondContact O-N 3.1Å; R362-F364 VanDerWaalsContact C-N 3.32Å; R362-F364 PolarHBondContact O-N 2.85Å; R362-S365 PolarHBondContact O-N 3.41Å; R362-E366 WeakPolarHBondContact CG-OE1 3.32Å; R362-E366 IonicContact CZ-OE1 3.17Å; R362-E366 IonicContact NE-OE1 2.63Å; R362-E366 PolarHBondContact NE-OE1 2.97Å; R362-E366 IonicContact NH2-OE1 2.73Å; R362-E366 WeakPolarHBondContact O-CG 3.37Å; R362-E366 PolarHBondContact O-N 2.97Å
363L94.2Very high93.9Very high14 Ų1449.1 Ų49.17%0.07324%0.24CC..Hα-helixtrans-59.9-43.1-178.5-73.2177.5000111.4Q258 V263 V359 N367Q258-L363 HydrophobicContact CB-CD1 3.98Å; Q258-L363 HydrophobicContact CB-CD2 4.1Å; Q258-L363 HydrophobicContact CB-CG 4.18Å; V263-L363 HydrophobicContact CB-CD1 4.03Å; V263-L363 HydrophobicContact CG2-CD1 3.86Å; V359-L363 HydrophobicContact CG1-CD1 3.67Å; V359-L363 HydrophobicContact CG1-CG 4.32Å; V359-L363 WeakPolarHBondContact O-CB 3.32Å; V359-L363 WeakPolarHBondContact O-CG 3.46Å; V359-L363 PolarHBondContact O-N 2.94Å; L363-N367 WeakPolarHBondContact O-CB 3.16Å; L363-N367 PolarHBondContact O-N 3.31Å; L363-N367 PolarHBondContact O-ND2 3.28Å
364F96.1Very high94Very high2 Ų254.9 Ų54.91%0.00927%0.266CS..Hα-helixtrans-65.6-45.3175.8-176.9-100.7000111.3V254 V265 M267 F296 A299 L300 T360 R362 E366 F368V254-F364 HydrophobicContact CG2-CD2 3.58Å; V254-F364 HydrophobicContact CG2-CE2 3.78Å; V265-F364 HydrophobicContact CB-CD2 3.97Å; V265-F364 HydrophobicContact CB-CE2 4.1Å; V265-F364 HydrophobicContact CG1-CD2 4.07Å; V265-F364 HydrophobicContact CG1-CE2 3.76Å; V265-F364 HydrophobicContact CG2-CD2 3.92Å; V265-F364 HydrophobicContact CG2-CE2 4.46Å; M267-F364 HydrophobicContact SD-CE2 4.15Å; M267-F364 HydrophobicContact SD-CZ 3.82Å; F296-F364 HydrophobicContact CD2-CD1 4.09Å; F296-F364 AromaticContact CD2-CD2 3.87Å; F296-F364 HydrophobicContact CD2-CD2 3.87Å; F296-F364 AromaticContact CD2-CE1 3.97Å; F296-F364 HydrophobicContact CD2-CE1 3.97Å; F296-F364 AromaticContact CD2-CE2 3.76Å; F296-F364 HydrophobicContact CD2-CE2 3.76Å; F296-F364 HydrophobicContact CD2-CG 4.05Å; F296-F364 AromaticContact CD2-CZ 3.81Å; F296-F364 HydrophobicContact CD2-CZ 3.81Å; F296-F364 HydrophobicContact CE2-CD2 4.14Å; F296-F364 AromaticContact CE2-CE1 3.95Å; F296-F364 HydrophobicContact CE2-CE1 3.95Å; F296-F364 AromaticContact CE2-CE2 3.54Å; F296-F364 HydrophobicContact CE2-CE2 3.54Å; F296-F364 AromaticContact CE2-CZ 3.43Å; F296-F364 HydrophobicContact CE2-CZ 3.43Å; F296-F364 VanDerWaalsContact CE2-CZ 3.43Å; A299-F364 HydrophobicContact CB-CD1 3.75Å; L300-F364 HydrophobicContact CB-CE1 3.98Å; L300-F364 HydrophobicContact CD1-CE1 4.05Å; L300-F364 HydrophobicContact CD1-CZ 3.98Å; T360-F364 WeakPolarHBondContact O-CB 3.31Å; T360-F364 PolarHBondContact O-N 3.45Å; R362-F364 VanDerWaalsContact C-N 3.32Å; R362-F364 PolarHBondContact O-N 2.85Å; F364-E366 PolarHBondContact O-N 3.46Å; F364-F368 HydrophobicContact CD1-CB 4.36Å; F364-F368 HydrophobicContact CD2-CB 4.44Å; F364-F368 HydrophobicContact CE1-CB 4.03Å; F364-F368 AromaticContact CE1-CD1 3.7Å; F364-F368 HydrophobicContact CE1-CD1 3.7Å; F364-F368 HydrophobicContact CE1-CE1 4.4Å; F364-F368 AromaticContact CE1-CG 3.98Å; F364-F368 HydrophobicContact CE1-CG 3.98Å; F364-F368 HydrophobicContact CE2-CB 4.09Å; F364-F368 HydrophobicContact CE2-CD2 4.49Å; F364-F368 HydrophobicContact CE2-CG 4.19Å; F364-F368 HydrophobicContact CZ-CB 3.87Å; F364-F368 AromaticContact CZ-CD1 3.68Å; F364-F368 HydrophobicContact CZ-CD1 3.68Å; F364-F368 HydrophobicContact CZ-CD2 4.12Å; F364-F368 HydrophobicContact CZ-CE1 4.24Å; F364-F368 AromaticContact CZ-CG 3.63Å; F364-F368 HydrophobicContact CZ-CG 3.63Å; F364-F368 WeakPolarHBondContact O-CB 3.39Å; F364-F368 PolarHBondContact O-N 3.14Å
365S95.1Very high94.1Very high15 Ų1553.3 Ų53.311%0.10525%0.251CS..Hα-helixtrans-61.4-46.3-177.7-65.60000113.3A299 R302 D361 R362 M369A299-S365 WeakPolarHBondContact CB-OG 3.45Å; R302-S365 PolarHBondContact NH2-OG 3.01Å; D361-S365 WeakPolarHBondContact O-CB 3.29Å; D361-S365 PolarHBondContact O-N 3.03Å; D361-S365 PolarHBondContact O-OG 3.18Å; R362-S365 PolarHBondContact O-N 3.41Å; S365-M369 WeakPolarHBondContact O-CB 3.38Å; S365-M369 PolarHBondContact O-N 3.49Å; S365-M369 VanDerWaalsContact O-N 3.1Å
366E94Very high94.2Very high106 Ų10653.2 Ų53.250%0.49526%0.257SS..Hα-helixtrans-64.2-50.1-178.2-70.7176.6-171.800110.8R362 F364 K370R362-E366 WeakPolarHBondContact CG-OE1 3.32Å; R362-E366 IonicContact CZ-OE1 3.17Å; R362-E366 IonicContact NE-OE1 2.63Å; R362-E366 PolarHBondContact NE-OE1 2.97Å; R362-E366 IonicContact NH2-OE1 2.73Å; R362-E366 WeakPolarHBondContact O-CG 3.37Å; R362-E366 PolarHBondContact O-N 2.97Å; F364-E366 PolarHBondContact O-N 3.46Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 PolarHBondContact O-N 2.83Å; E366-K370 VanDerWaalsContact O-N 3.15Å
367N95.3Very high94.1Very high49 Ų4957 Ų5726%0.26228%0.284SS..Hα-helixtrans-74.5-38.9-176.6-71.4-50.5000113.3V254 E255 L363 K370 F371V254-N367 HydrophobicContact CB-CB 3.88Å; V254-N367 HydrophobicContact CG1-CB 3.97Å; E255-N367 PolarHBondContact O-ND2 2.81Å; L363-N367 WeakPolarHBondContact O-CB 3.16Å; L363-N367 PolarHBondContact O-N 3.31Å; L363-N367 PolarHBondContact O-ND2 3.28Å; N367-K370 WeakPolarHBondContact O-CB 3.49Å; N367-K370 PolarHBondContact O-N 2.87Å; N367-F371 PolarHBondContact O-N 3.5Å
368F96.5Very high94.1Very high0 Ų052.3 Ų52.30%027%0.268CS..Hα-helixtrans-69.4-39178.5-174.5-126.4000111.7V252 V254 M267 L300 V303 I304 F364 K370 F371 L372 I382V252-F368 HydrophobicContact CG1-CD2 3.95Å; V252-F368 HydrophobicContact CG1-CE2 3.97Å; V254-F368 HydrophobicContact CG1-CB 4.49Å; M267-F368 HydrophobicContact CE-CE2 4.21Å; M267-F368 HydrophobicContact CE-CZ 3.97Å; M267-F368 HydrophobicContact SD-CD2 4.42Å; M267-F368 HydrophobicContact SD-CE2 3.91Å; M267-F368 HydrophobicContact SD-CZ 4.11Å; L300-F368 HydrophobicContact CD1-CD1 4.4Å; L300-F368 HydrophobicContact CD1-CE1 3.71Å; L300-F368 HydrophobicContact CD1-CZ 4.11Å; V303-F368 HydrophobicContact CB-CD1 4.1Å; V303-F368 HydrophobicContact CG1-CD1 3.6Å; V303-F368 HydrophobicContact CG1-CE1 4.13Å; V303-F368 HydrophobicContact CG1-CG 4.5Å; I304-F368 HydrophobicContact CD1-CE1 4.11Å; I304-F368 HydrophobicContact CD1-CZ 4.35Å; I304-F368 HydrophobicContact CG1-CE1 3.93Å; I304-F368 HydrophobicContact CG1-CZ 4.44Å; F364-F368 HydrophobicContact CD1-CB 4.36Å; F364-F368 HydrophobicContact CD2-CB 4.44Å; F364-F368 HydrophobicContact CE1-CB 4.03Å; F364-F368 AromaticContact CE1-CD1 3.7Å; F364-F368 HydrophobicContact CE1-CD1 3.7Å; F364-F368 HydrophobicContact CE1-CE1 4.4Å; F364-F368 AromaticContact CE1-CG 3.98Å; F364-F368 HydrophobicContact CE1-CG 3.98Å; F364-F368 HydrophobicContact CE2-CB 4.09Å; F364-F368 HydrophobicContact CE2-CD2 4.49Å; F364-F368 HydrophobicContact CE2-CG 4.19Å; F364-F368 HydrophobicContact CZ-CB 3.87Å; F364-F368 AromaticContact CZ-CD1 3.68Å; F364-F368 HydrophobicContact CZ-CD1 3.68Å; F364-F368 HydrophobicContact CZ-CD2 4.12Å; F364-F368 HydrophobicContact CZ-CE1 4.24Å; F364-F368 AromaticContact CZ-CG 3.63Å; F364-F368 HydrophobicContact CZ-CG 3.63Å; F364-F368 WeakPolarHBondContact O-CB 3.39Å; F364-F368 PolarHBondContact O-N 3.14Å; F368-K370 VanDerWaalsContact C-N 3.33Å; F368-K370 PolarHBondContact O-N 3.35Å; F368-F371 HydrophobicContact CE2-CD1 4.48Å; F368-F371 WeakPolarHBondContact O-CB 3.29Å; F368-F371 PolarHBondContact O-N 2.97Å; F368-L372 HydrophobicContact CD1-CD1 4.13Å; F368-L372 HydrophobicContact CD2-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.79Å; F368-L372 HydrophobicContact CE1-CG 4.33Å; F368-L372 HydrophobicContact CE2-CD2 4.13Å; F368-L372 HydrophobicContact CE2-CG 4.19Å; F368-L372 HydrophobicContact CZ-CD1 4Å; F368-L372 HydrophobicContact CZ-CD2 3.99Å; F368-L372 HydrophobicContact CZ-CG 4.11Å; F368-L372 WeakPolarHBondContact O-CG 3.3Å; F368-L372 PolarHBondContact O-N 3.3Å; F368-I382 HydrophobicContact CZ-CD1 4.46Å
369M95.3Very high94.1Very high35 Ų3547.6 Ų47.617%0.17224%0.239CC..Hα-helixtrans-63.6-40.1173.7-173.859.6144.500111.7V303 D306 Y307 K310 S365 L372 M373V303-M369 HydrophobicContact CG1-CB 4.04Å; V303-M369 HydrophobicContact CG1-SD 4.06Å; D306-M369 HydrophobicContact CB-CE 4.36Å; Y307-M369 HydrophobicContact CD2-SD 4.24Å; K310-M369 HydrophobicContact CD-CE 3.73Å; S365-M369 WeakPolarHBondContact O-CB 3.38Å; S365-M369 PolarHBondContact O-N 3.49Å; S365-M369 VanDerWaalsContact O-N 3.1Å; M369-L372 PolarHBondContact O-N 3.02Å; M369-M373 VanDerWaalsContact O-CG 3.24Å; M369-M373 WeakPolarHBondContact O-CG 3.47Å; M369-M373 PolarHBondContact O-N 2.87Å; M369-M373 VanDerWaalsContact O-N 3.15Å
370K94.6Very high94Very high121 Ų12154.6 Ų54.653%0.52627%0.265SS..Hα-helixtrans-59.1-48.4172.6-178.2-176.8172.3-170.50111.1E366 N367 F368 L372 M373 E374E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 PolarHBondContact O-N 2.83Å; E366-K370 VanDerWaalsContact O-N 3.15Å; N367-K370 WeakPolarHBondContact O-CB 3.49Å; N367-K370 PolarHBondContact O-N 2.87Å; F368-K370 VanDerWaalsContact C-N 3.33Å; F368-K370 PolarHBondContact O-N 3.35Å; K370-L372 PolarHBondContact O-N 2.69Å; K370-M373 PolarHBondContact O-N 3.02Å; K370-E374 WeakPolarHBondContact CE-OE1 3.47Å; K370-E374 WeakPolarHBondContact O-CG 3.45Å; K370-E374 PolarHBondContact O-N 3.38Å
371F95.2Very high94Very high40 Ų4060.5 Ų60.518%0.17529%0.288CS..Hα-helixtrans-57-46.8177.2176-88.2000112.7V252 N367 F368 M373 E374 N375 V378V252-F371 HydrophobicContact CB-CD1 4.44Å; V252-F371 HydrophobicContact CB-CE1 4.03Å; V252-F371 HydrophobicContact CB-CZ 4.08Å; V252-F371 HydrophobicContact CG1-CD1 3.54Å; V252-F371 HydrophobicContact CG1-CD2 3.99Å; V252-F371 HydrophobicContact CG1-CE1 3.61Å; V252-F371 HydrophobicContact CG1-CE2 4.03Å; V252-F371 HydrophobicContact CG1-CG 3.75Å; V252-F371 HydrophobicContact CG1-CZ 3.86Å; V252-F371 HydrophobicContact CG2-CD1 4.14Å; V252-F371 HydrophobicContact CG2-CE1 3.39Å; V252-F371 HydrophobicContact CG2-CZ 3.62Å; N367-F371 PolarHBondContact O-N 3.5Å; F368-F371 HydrophobicContact CE2-CD1 4.48Å; F368-F371 WeakPolarHBondContact O-CB 3.29Å; F368-F371 PolarHBondContact O-N 2.97Å; F371-M373 VanDerWaalsContact C-N 3.3Å; F371-M373 PolarHBondContact O-N 2.84Å; F371-E374 PolarHBondContact O-N 2.84Å; F371-N375 HydrophobicContact CE1-CB 4.21Å; F371-N375 WeakPolarHBondContact CE2-ND2 3.48Å; F371-N375 HydrophobicContact CZ-CB 4.19Å; F371-N375 WeakPolarHBondContact O-CB 3.4Å; F371-N375 PolarHBondContact O-N 3.02Å; F371-N375 PolarHBondContact O-ND2 2.82Å; F371-V378 HydrophobicContact CE1-CG1 4.02Å; F371-V378 HydrophobicContact CZ-CG1 4.44Å
372L94.6Very high93.9Very high1 Ų159.2 Ų59.21%0.00528%0.281CS..Hα-helixtrans-63-36.2179.8-68.9174.2000112.4V303 Y307 F368 M369 K370 N375 I382V303-L372 HydrophobicContact CG1-CD1 3.86Å; Y307-L372 HydrophobicContact CD1-CD1 4.39Å; Y307-L372 HydrophobicContact CD2-CB 3.66Å; Y307-L372 HydrophobicContact CD2-CD1 4.21Å; Y307-L372 HydrophobicContact CE2-CB 3.66Å; Y307-L372 WeakPolarHBondContact CE2-O 3.4Å; Y307-L372 HydrophobicContact CG-CB 4.17Å; Y307-L372 HydrophobicContact CG-CD1 3.95Å; Y307-L372 PolarHBondContact OH-O 2.96Å; F368-L372 HydrophobicContact CD1-CD1 4.13Å; F368-L372 HydrophobicContact CD2-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.79Å; F368-L372 HydrophobicContact CE1-CG 4.33Å; F368-L372 HydrophobicContact CE2-CD2 4.13Å; F368-L372 HydrophobicContact CE2-CG 4.19Å; F368-L372 HydrophobicContact CZ-CD1 4Å; F368-L372 HydrophobicContact CZ-CD2 3.99Å; F368-L372 HydrophobicContact CZ-CG 4.11Å; F368-L372 WeakPolarHBondContact O-CG 3.3Å; F368-L372 PolarHBondContact O-N 3.3Å; M369-L372 PolarHBondContact O-N 3.02Å; K370-L372 PolarHBondContact O-N 2.69Å; L372-N375 CarbonylContact O-C 3.54Å; L372-I382 HydrophobicContact CD2-CD1 4.08Å
373M92.7Very high93.9Very high103 Ų10353.1 Ų53.151%0.50726%0.258SS..Hα-helixtrans-72.1-34.2177.2-67.1-68.5-70.100112.4Y307 Q311 M369 K370 F371Y307-M373 HydrophobicContact CD2-SD 4.14Å; Y307-M373 HydrophobicContact CE2-SD 3.95Å; Q311-M373 PolarHBondContact NE2-SD 2.83Å; Q311-M373 VanDerWaalsContact NE2-SD 3.42Å; M369-M373 VanDerWaalsContact O-CG 3.24Å; M369-M373 WeakPolarHBondContact O-CG 3.47Å; M369-M373 PolarHBondContact O-N 2.87Å; M369-M373 VanDerWaalsContact O-N 3.15Å; K370-M373 PolarHBondContact O-N 3.02Å; F371-M373 VanDerWaalsContact C-N 3.3Å; F371-M373 PolarHBondContact O-N 2.84Å
374E93.2Very high93.8Very high123 Ų12357 Ų5758%0.57528%0.276SS*.Hα-helixtrans-75.1-28.6174.7-71.2172.8177.600112.2K370 F371 P376K370-E374 WeakPolarHBondContact CE-OE1 3.47Å; K370-E374 WeakPolarHBondContact O-CG 3.45Å; K370-E374 PolarHBondContact O-N 3.38Å; F371-E374 PolarHBondContact O-N 2.84Å; E374-P376 VanDerWaalsContact C-CD 3.43Å; E374-P376 VanDerWaalsContact O-CD 3.28Å; E374-P376 WeakPolarHBondContact O-CD 3.43Å
375N93Very high93.6Very high56 Ų5657.6 Ų57.630%0.29928%0.278SS..  trans-121.866.8-176.2-60.7-81.4000112.3F371 L372 S377 V378 G379F371-N375 HydrophobicContact CE1-CB 4.21Å; F371-N375 WeakPolarHBondContact CE2-ND2 3.48Å; F371-N375 HydrophobicContact CZ-CB 4.19Å; F371-N375 WeakPolarHBondContact O-CB 3.4Å; F371-N375 PolarHBondContact O-N 3.02Å; F371-N375 PolarHBondContact O-ND2 2.82Å; L372-N375 CarbonylContact O-C 3.54Å; N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 2.87Å; N375-V378 HydrophobicContact CB-CB 4.16Å; N375-V378 HydrophobicContact CB-CG2 4.22Å; N375-V378 PolarHBondContact O-N 3.4Å; N375-V378 VanDerWaalsContact O-N 3.14Å; N375-G379 PolarHBondContact O-N 2.91Å
376P92Very high93.4Very high72 Ų7257 Ų5747%0.46827%0.274SS..Hα-helixtrans-65.2-27.5-17124-34.1000114.2Y307 E374 R380Y307-P376 WeakPolarHBondContact OH-CA 3.28Å; E374-P376 VanDerWaalsContact C-CD 3.43Å; E374-P376 VanDerWaalsContact O-CD 3.28Å; E374-P376 WeakPolarHBondContact O-CD 3.43Å; P376-R380 WeakPolarHBondContact O-CB 3.16Å; P376-R380 PolarHBondContact O-N 2.92Å
377S91.3Very high93.2Very high80 Ų8054 Ų5456%0.55926%0.261SS*.Hα-helixtrans-64.5-46174.2540000111.7N375 R380 R381N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 2.87Å; S377-R380 PolarHBondContact O-N 2.85Å; S377-R381 WeakPolarHBondContact O-CG 3.33Å; S377-R381 PolarHBondContact O-N 3.3Å
378V92.9Very high92.7Very high22 Ų2256.8 Ų56.813%0.13328%0.275CS..Hα-helixtrans-65.1-48176178.40000109.9F248 F371 N375 R380 R381 I382F248-V378 HydrophobicContact CB-CG2 4.4Å; F248-V378 HydrophobicContact CD1-CG1 3.88Å; F248-V378 HydrophobicContact CD2-CG1 4.04Å; F248-V378 HydrophobicContact CE1-CG1 3.97Å; F248-V378 HydrophobicContact CE2-CG1 4.13Å; F248-V378 HydrophobicContact CG-CG1 3.91Å; F248-V378 HydrophobicContact CZ-CG1 4.09Å; F371-V378 HydrophobicContact CE1-CG1 4.02Å; F371-V378 HydrophobicContact CZ-CG1 4.44Å; N375-V378 HydrophobicContact CB-CB 4.16Å; N375-V378 HydrophobicContact CB-CG2 4.22Å; N375-V378 PolarHBondContact O-N 3.4Å; N375-V378 VanDerWaalsContact O-N 3.14Å; V378-R380 VanDerWaalsContact C-N 3.28Å; V378-R380 PolarHBondContact O-N 3.31Å; V378-R381 PolarHBondContact O-N 2.94Å; V378-R381 VanDerWaalsContact O-N 3.14Å; V378-I382 HydrophobicContact CG1-CD1 3.96Å; V378-I382 HydrophobicContact CG1-CG1 4.48Å; V378-I382 WeakPolarHBondContact O-CG1 3.33Å; V378-I382 PolarHBondContact O-N 3.22Å
379G93.1Very high92Very high0 Ų056.9 Ų56.90%028%0.276CS..Hα-helixtrans-59.4-37.5178.600000113.3N375 V383N375-G379 PolarHBondContact O-N 2.91Å; G379-V383 WeakPolarHBondContact O-CG2 3.09Å; G379-V383 PolarHBondContact O-N 2.96Å
380R92.9Very high91.6Very high149 Ų14955.8 Ų55.856%0.56227%0.272SS*.Hα-helixtrans-63.7-46.3174.7-169.6-179.1-163.7135.87.7112.2I313 P376 S377 V378 I382 V383 E384I313-R380 HydrophobicContact CD1-CB 4.49Å; I313-R380 HydrophobicContact CD1-CG 4.31Å; P376-R380 WeakPolarHBondContact O-CB 3.16Å; P376-R380 PolarHBondContact O-N 2.92Å; S377-R380 PolarHBondContact O-N 2.85Å; V378-R380 VanDerWaalsContact C-N 3.28Å; V378-R380 PolarHBondContact O-N 3.31Å; R380-I382 VanDerWaalsContact C-N 3.35Å; R380-I382 PolarHBondContact O-N 3.48Å; R380-V383 PolarHBondContact O-N 3.38Å; R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 WeakPolarHBondContact CG-OE1 3.36Å; R380-E384 IonicContact NE-OE1 3.71Å; R380-E384 PolarHBondContact NE-OE1 2.63Å; R380-E384 WeakPolarHBondContact O-CB 3.5Å; R380-E384 WeakPolarHBondContact O-CG 3.31Å; R380-E384 PolarHBondContact O-N 2.79Å
381R92.6Very high91.1Very high124 Ų12456.6 Ų56.647%0.46828%0.276SS..Hα-helixtrans-62.5-39.7179.1-70.3-176.2-175.3179.83.7112.5I247 S377 V378 E384 K385I247-R381 HydrophobicContact CG2-CB 3.67Å; I247-R381 HydrophobicContact CG2-CG 4.28Å; I247-R381 WeakPolarHBondContact O-CD 3.24Å; I247-R381 PolarHBondContact O-NH1 2.82Å; S377-R381 WeakPolarHBondContact O-CG 3.33Å; S377-R381 PolarHBondContact O-N 3.3Å; V378-R381 PolarHBondContact O-N 2.94Å; V378-R381 VanDerWaalsContact O-N 3.14Å; R381-E384 PolarHBondContact O-N 3.06Å; R381-K385 PolarHBondContact O-N 3.06Å
382I93.9Very high90Very high3 Ų357.3 Ų57.32%0.01529%0.289CS..Hα-helixtrans-60.5-47.6175.3-68.3172.2000110.8F248 Y269 I304 F368 L372 V378 R380 K385 G386F248-I382 HydrophobicContact CE1-CD1 4.04Å; F248-I382 HydrophobicContact CE1-CG1 3.71Å; F248-I382 HydrophobicContact CZ-CD1 4.18Å; F248-I382 HydrophobicContact CZ-CG1 4.32Å; Y269-I382 HydrophobicContact CD2-CD1 4.23Å; Y269-I382 HydrophobicContact CD2-CG1 3.77Å; Y269-I382 HydrophobicContact CD2-CG2 4.35Å; Y269-I382 HydrophobicContact CE2-CB 4.34Å; Y269-I382 HydrophobicContact CE2-CD1 4.12Å; Y269-I382 HydrophobicContact CE2-CG1 3.86Å; Y269-I382 HydrophobicContact CE2-CG2 3.67Å; I304-I382 HydrophobicContact CD1-CG2 3.59Å; I304-I382 HydrophobicContact CG1-CG2 4.19Å; F368-I382 HydrophobicContact CZ-CD1 4.46Å; L372-I382 HydrophobicContact CD2-CD1 4.08Å; V378-I382 HydrophobicContact CG1-CD1 3.96Å; V378-I382 HydrophobicContact CG1-CG1 4.48Å; V378-I382 WeakPolarHBondContact O-CG1 3.33Å; V378-I382 PolarHBondContact O-N 3.22Å; R380-I382 VanDerWaalsContact C-N 3.35Å; R380-I382 PolarHBondContact O-N 3.48Å; I382-K385 PolarHBondContact O-N 3.2Å; I382-G386 PolarHBondContact O-N 2.95Å; I382-G386 VanDerWaalsContact O-N 3.13Å
383V94.2Very high89.3Confident1 Ų161 Ų611%0.00630%0.303CS..Hα-helixtrans-65-41.2178.5175.70000111.2I304 Y307 A308 I313 G379 R380 K385 G386 I387I304-V383 HydrophobicContact CG2-CG2 4.22Å; Y307-V383 HydrophobicContact CD1-CG2 3.99Å; Y307-V383 HydrophobicContact CE1-CG2 4.46Å; A308-V383 HydrophobicContact CB-CG1 3.66Å; A308-V383 HydrophobicContact CB-CG2 3.96Å; I313-V383 HydrophobicContact CB-CG1 4.16Å; I313-V383 HydrophobicContact CD1-CB 4.27Å; I313-V383 HydrophobicContact CD1-CG1 4.35Å; I313-V383 HydrophobicContact CD1-CG2 4.29Å; I313-V383 HydrophobicContact CG2-CB 4.39Å; I313-V383 HydrophobicContact CG2-CG1 3.62Å; G379-V383 WeakPolarHBondContact O-CG2 3.09Å; G379-V383 PolarHBondContact O-N 2.96Å; R380-V383 PolarHBondContact O-N 3.38Å; V383-K385 PolarHBondContact O-N 2.69Å; V383-G386 PolarHBondContact O-N 3.21Å; V383-I387 HydrophobicContact CG1-CD1 3.83Å; V383-I387 HydrophobicContact CG1-CG1 4.32Å; V383-I387 WeakPolarHBondContact O-CG1 3.44Å; V383-I387 PolarHBondContact O-N 2.89Å
384E91.8Very high88.5Confident96 Ų9658.8 Ų58.845%0.44929%0.293SS..Hα-helixtrans-61.4-41.6177.3-76.2171.4179.700112.4R380 R381 I387 L388R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 WeakPolarHBondContact CG-OE1 3.36Å; R380-E384 IonicContact NE-OE1 3.71Å; R380-E384 PolarHBondContact NE-OE1 2.63Å; R380-E384 WeakPolarHBondContact O-CB 3.5Å; R380-E384 WeakPolarHBondContact O-CG 3.31Å; R380-E384 PolarHBondContact O-N 2.79Å; R381-E384 PolarHBondContact O-N 3.06Å; E384-I387 PolarHBondContact O-N 3.05Å; E384-L388 PolarHBondContact O-N 3.07Å
385K90.6Very high87.4Confident14 Ų1455.1 Ų55.16%0.06128%0.284CS..Hα-helixtrans-59.9-45.7173178.156.8168.5164.40111.4I247 Y269 T270 D271 G272 E328 R381 I382 V383 I387 L388 A389I247-K385 HydrophobicContact CD1-CB 3.87Å; I247-K385 HydrophobicContact CD1-CD 3.96Å; I247-K385 HydrophobicContact CD1-CG 3.76Å; Y269-K385 HydrophobicContact CD1-CG 4.19Å; T270-K385 WeakPolarHBondContact O-CE 3.44Å; D271-K385 PolarHBondContact O-NZ 3.01Å; G272-K385 WeakPolarHBondContact O-CE 3.39Å; G272-K385 PolarHBondContact O-NZ 3.14Å; E328-K385 WeakPolarHBondContact O-CE 3.46Å; E328-K385 IonicContact OE1-NZ 3.53Å; E328-K385 PolarHBondContact OE1-NZ 3.17Å; R381-K385 PolarHBondContact O-N 3.06Å; I382-K385 PolarHBondContact O-N 3.2Å; V383-K385 PolarHBondContact O-N 2.69Å; K385-I387 PolarHBondContact O-N 2.98Å; K385-L388 WeakPolarHBondContact O-CB 3.5Å; K385-L388 PolarHBondContact O-N 3.16Å; K385-A389 PolarHBondContact O-N 3.34Å
386G90.9Very high85.9Confident1 Ų152.9 Ų52.91%0.0127%0.273CS..Hα-helixtrans-63.5-38.8175.800000113.8L321 I382 V383 L388 A389 A390L321-G386 WeakPolarHBondContact CD2-O 3.43Å; I382-G386 PolarHBondContact O-N 2.95Å; I382-G386 VanDerWaalsContact O-N 3.13Å; V383-G386 PolarHBondContact O-N 3.21Å; G386-L388 VanDerWaalsContact C-N 3.34Å; G386-A389 WeakPolarHBondContact O-CB 3.41Å; G386-A389 PolarHBondContact O-N 2.88Å; G386-A390 WeakPolarHBondContact O-CB 3.34Å; G386-A390 PolarHBondContact O-N 3.33Å
387I90.9Very high84.8Confident43 Ų4355 Ų5522%0.22127%0.274CS..Hα-helixtrans-64.6-39.4174.9-69.4168.3000111.1I313 M314 L321 V383 E384 K385 A390 K391I313-I387 HydrophobicContact CG2-CD1 4.16Å; M314-I387 HydrophobicContact CG-CD1 3.98Å; M314-I387 HydrophobicContact CG-CG1 4.38Å; L321-I387 HydrophobicContact CD2-CG1 4.29Å; V383-I387 HydrophobicContact CG1-CD1 3.83Å; V383-I387 HydrophobicContact CG1-CG1 4.32Å; V383-I387 WeakPolarHBondContact O-CG1 3.44Å; V383-I387 PolarHBondContact O-N 2.89Å; E384-I387 PolarHBondContact O-N 3.05Å; K385-I387 PolarHBondContact O-N 2.98Å; I387-A390 PolarHBondContact O-N 3.42Å; I387-K391 HydrophobicContact CG2-CD 4.41Å; I387-K391 WeakPolarHBondContact O-CG 3.43Å; I387-K391 PolarHBondContact O-N 2.88Å
388L84.3Confident83.7Confident109 Ų10959.6 Ų59.657%0.57128%0.28SS*.Hα-helixtrans-63-46.7176.3-171.172.1000111E384 K385 G386 A390 K391 A392E384-L388 PolarHBondContact O-N 3.07Å; K385-L388 WeakPolarHBondContact O-CB 3.5Å; K385-L388 PolarHBondContact O-N 3.16Å; G386-L388 VanDerWaalsContact C-N 3.34Å; L388-A390 PolarHBondContact O-N 3.23Å; L388-K391 PolarHBondContact O-N 3.37Å; L388-A392 PolarHBondContact O-N 3.4Å
389A82.3Confident82Confident1 Ų160.5 Ų60.51%0.00829%0.29CS..Hα-helixtrans-56.7-49174.700000111.7D325 E328 K385 G386 K391 A392 R393D325-A389 HydrophobicContact CB-CB 4.21Å; E328-A389 HydrophobicContact CB-CB 3.85Å; E328-A389 HydrophobicContact CG-CB 4.21Å; E328-A389 WeakPolarHBondContact OE2-CA 3.44Å; E328-A389 WeakPolarHBondContact OE2-CB 3.5Å; K385-A389 PolarHBondContact O-N 3.34Å; G386-A389 WeakPolarHBondContact O-CB 3.41Å; G386-A389 PolarHBondContact O-N 2.88Å; A389-K391 PolarHBondContact O-N 2.89Å; A389-A392 PolarHBondContact O-N 2.94Å; A389-R393 WeakPolarHBondContact O-CB 3.47Å; A389-R393 PolarHBondContact O-N 3.4Å
390A87.1Confident80.2Confident12 Ų1263.6 Ų63.610%0.09930%0.301CS..Hα-helixtrans-61.2-41.1178.200000112.7L321 D325 G386 I387 L388 R393 L394L321-A390 HydrophobicContact CD2-CB 3.69Å; D325-A390 HydrophobicContact CB-CB 4.25Å; D325-A390 WeakPolarHBondContact OD1-CA 3.47Å; G386-A390 WeakPolarHBondContact O-CB 3.34Å; G386-A390 PolarHBondContact O-N 3.33Å; I387-A390 PolarHBondContact O-N 3.42Å; L388-A390 PolarHBondContact O-N 3.23Å; A390-R393 PolarHBondContact O-N 2.99Å; A390-L394 WeakPolarHBondContact O-CB 3.41Å; A390-L394 VanDerWaalsContact O-CG 3.27Å; A390-L394 WeakPolarHBondContact O-CG 3.2Å; A390-L394 PolarHBondContact O-N 2.96Å
391K82.9Confident78.7Confident139 Ų13960.8 Ų60.860%0.60429%0.294SS*.Hα-helixtrans-62.8-44.8174.7-78.5178.7-177.9175.40111.6I387 L388 A389 L394 A395I387-K391 HydrophobicContact CG2-CD 4.41Å; I387-K391 WeakPolarHBondContact O-CG 3.43Å; I387-K391 PolarHBondContact O-N 2.88Å; L388-K391 PolarHBondContact O-N 3.37Å; A389-K391 PolarHBondContact O-N 2.89Å; K391-L394 PolarHBondContact O-N 2.77Å; K391-A395 VanDerWaalsContact O-CB 3.26Å; K391-A395 WeakPolarHBondContact O-CB 3.46Å; K391-A395 PolarHBondContact O-N 2.79Å
392A71.9Confident76.9Confident54 Ų5458.8 Ų58.845%0.44630%0.296SS..Hα-helixtrans-62.6-45.9177.900000111.3L388 A389 A395 A396L388-A392 PolarHBondContact O-N 3.4Å; A389-A392 PolarHBondContact O-N 2.94Å; A392-A395 PolarHBondContact O-N 2.86Å; A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 2.87Å
393R81.4Confident74.7Confident79 Ų7962.8 Ų62.830%0.29832%0.32SS..Hα-helixtrans-60.5-46.1175.4-177179.158.179.81.3112.3D325 A389 A390 A396 K397D325-R393 IonicContact OD1-CZ 3.34Å; D325-R393 IonicContact OD1-NE 3.11Å; D325-R393 PolarHBondContact OD1-NE 2.91Å; D325-R393 IonicContact OD1-NH2 3.67Å; D325-R393 IonicContact OD2-CZ 3.85Å; D325-R393 IonicContact OD2-NE 3.25Å; D325-R393 PolarHBondContact OD2-NE 3.38Å; D325-R393 IonicContact OD2-NH2 2.82Å; D325-R393 PolarHBondContact OD2-NH2 2.96Å; A389-R393 WeakPolarHBondContact O-CB 3.47Å; A389-R393 PolarHBondContact O-N 3.4Å; A390-R393 PolarHBondContact O-N 2.99Å; R393-A396 PolarHBondContact O-N 3.37Å; R393-K397 WeakPolarHBondContact O-CB 3.35Å; R393-K397 PolarHBondContact O-N 2.85Å
394L76.4Confident72.4Confident56 Ų5671.5 Ų71.529%0.29335%0.353SS..Hα-helixtrans-66.4-38.1177.7-74.1170.5000112.1A390 K391 K397 R398A390-L394 WeakPolarHBondContact O-CB 3.41Å; A390-L394 VanDerWaalsContact O-CG 3.27Å; A390-L394 WeakPolarHBondContact O-CG 3.2Å; A390-L394 PolarHBondContact O-N 2.96Å; K391-L394 PolarHBondContact O-N 2.77Å; L394-K397 PolarHBondContact O-N 3.11Å; L394-R398 WeakPolarHBondContact O-CB 3.43Å; L394-R398 WeakPolarHBondContact O-CG 3.37Å; L394-R398 PolarHBondContact O-N 3.48Å
395A68.7Low70.3Confident47 Ų4776.8 Ų76.839%0.38837%0.369SS..Hα-helixtrans-63.8-46.9173.600000111.1K391 A392 K397 R398 A399K391-A395 VanDerWaalsContact O-CB 3.26Å; K391-A395 WeakPolarHBondContact O-CB 3.46Å; K391-A395 PolarHBondContact O-N 2.79Å; A392-A395 PolarHBondContact O-N 2.86Å; A395-K397 PolarHBondContact O-N 2.86Å; A395-R398 PolarHBondContact O-N 2.88Å; A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.93Å
396A61.6Low68.2Low8 Ų884.2 Ų84.27%0.06640%0.401CS..Hα-helixtrans-62.2-41.3175.500000111.8A392 R393 A399 R400 M469A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 2.87Å; R393-A396 PolarHBondContact O-N 3.37Å; A396-A399 PolarHBondContact O-N 3.16Å; A396-R400 WeakPolarHBondContact O-CB 3.35Å; A396-R400 VanDerWaalsContact O-CG 3.26Å; A396-R400 WeakPolarHBondContact O-CG 3.27Å; A396-R400 PolarHBondContact O-N 3.32Å; A396-M469 HydrophobicContact CB-CG 4.47Å
397K69.7Low65.7Low116 Ų11684.8 Ų84.850%0.50441%0.407SS..Hα-helixtrans-62.5-43.7174.6-173.3179.1177.1-178.50111.5R393 L394 A395 R400 E401R393-K397 WeakPolarHBondContact O-CB 3.35Å; R393-K397 PolarHBondContact O-N 2.85Å; L394-K397 PolarHBondContact O-N 3.11Å; A395-K397 PolarHBondContact O-N 2.86Å; K397-R400 PolarHBondContact O-N 3.25Å; K397-E401 WeakPolarHBondContact O-CB 3.44Å; K397-E401 WeakPolarHBondContact O-CG 3.43Å; K397-E401 PolarHBondContact O-N 2.93Å
398R67.9Low63.2Low178 Ų17886.6 Ų86.667%0.67243%0.428SS*.Hα-helixtrans-64.1-43.8174.7-75.8176.7-177174.73111.7L394 A395 R400 E401 V402L394-R398 WeakPolarHBondContact O-CB 3.43Å; L394-R398 WeakPolarHBondContact O-CG 3.37Å; L394-R398 PolarHBondContact O-N 3.48Å; A395-R398 PolarHBondContact O-N 2.88Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-E401 PolarHBondContact O-N 3.47Å; R398-V402 WeakPolarHBondContact O-CB 3.03Å; R398-V402 VanDerWaalsContact O-CG2 3.24Å; R398-V402 WeakPolarHBondContact O-CG2 3.32Å; R398-V402 PolarHBondContact O-N 3.44Å
399A55.9Low61Low41 Ų4189 Ų8934%0.33944%0.441SS..Hα-helixtrans-58.7-48.5175.500000110.2A395 A396 E401 V402 T403A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.93Å; A396-A399 PolarHBondContact O-N 3.16Å; A399-E401 PolarHBondContact O-N 3.02Å; A399-V402 PolarHBondContact O-N 3.4Å; A399-T403 PolarHBondContact O-N 3.17Å; A399-T403 PolarHBondContact O-OG1 2.84Å
400R57Low59Low64 Ų6495.7 Ų95.724%0.24247%0.472CS..Hα-helixtrans-56.3-49.1173.8-75.3-179.9-152.8-164.83.7111.9A396 K397 R398 V402 T403 R404 F489 D492A396-R400 WeakPolarHBondContact O-CB 3.35Å; A396-R400 VanDerWaalsContact O-CG 3.26Å; A396-R400 WeakPolarHBondContact O-CG 3.27Å; A396-R400 PolarHBondContact O-N 3.32Å; K397-R400 PolarHBondContact O-N 3.25Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R400-V402 VanDerWaalsContact C-N 3.32Å; R400-V402 PolarHBondContact O-N 2.89Å; R400-T403 VanDerWaalsContact CA-OG1 3.24Å; R400-T403 WeakPolarHBondContact CA-OG1 3.44Å; R400-T403 CarbonylContact O-C 3.53Å; R400-T403 PolarHBondContact O-N 3.07Å; R400-T403 PolarHBondContact O-OG1 3.26Å; R400-R404 WeakPolarHBondContact O-CB 3.23Å; R400-R404 PolarHBondContact O-N 3.49Å; R400-F489 PolarHBondContact NH1-O 3.37Å; R400-D492 IonicContact NH1-OD2 3.35Å
401E60.7Low56.8Low90 Ų90100.8 Ų100.842%0.42150%0.496SS..Hα-helixtrans-62.1-37.1177.7-80.7-177.4-173.900112.6K397 R398 A399 R404 R405K397-E401 WeakPolarHBondContact O-CB 3.44Å; K397-E401 WeakPolarHBondContact O-CG 3.43Å; K397-E401 PolarHBondContact O-N 2.93Å; R398-E401 PolarHBondContact O-N 3.47Å; A399-E401 PolarHBondContact O-N 3.02Å; E401-R404 PolarHBondContact O-N 3.01Å; E401-R405 WeakPolarHBondContact O-CB 3.47Å; E401-R405 WeakPolarHBondContact O-CG 3.37Å; E401-R405 PolarHBondContact O-N 3.29Å
402V54Low55Low83 Ų8399.2 Ų99.250%0.50350%0.503SS..Hα-helixtrans-67.8-44.6175.2171.70000110.9R398 A399 R400 R404 R405 K406R398-V402 WeakPolarHBondContact O-CB 3.03Å; R398-V402 VanDerWaalsContact O-CG2 3.24Å; R398-V402 WeakPolarHBondContact O-CG2 3.32Å; R398-V402 PolarHBondContact O-N 3.44Å; A399-V402 PolarHBondContact O-N 3.4Å; R400-V402 VanDerWaalsContact C-N 3.32Å; R400-V402 PolarHBondContact O-N 2.89Å; V402-R404 VanDerWaalsContact C-N 3.3Å; V402-R404 PolarHBondContact O-N 3.24Å; V402-R405 PolarHBondContact O-N 3.47Å; V402-K406 WeakPolarHBondContact O-CB 3.15Å; V402-K406 PolarHBondContact O-N 2.82Å
403T48.1Very low53.9Low86 Ų86102.3 Ų102.353%0.52851%0.512SS..Hα-helixtrans-64.9-32.917231.10000112.5A399 R400 G407A399-T403 PolarHBondContact O-N 3.17Å; A399-T403 PolarHBondContact O-OG1 2.84Å; R400-T403 VanDerWaalsContact CA-OG1 3.24Å; R400-T403 WeakPolarHBondContact CA-OG1 3.44Å; R400-T403 CarbonylContact O-C 3.53Å; R400-T403 PolarHBondContact O-N 3.07Å; R400-T403 PolarHBondContact O-OG1 3.26Å; T403-G407 VanDerWaalsContact O-CA 3.29Å; T403-G407 WeakPolarHBondContact O-CA 3.21Å; T403-G407 PolarHBondContact O-N 3.03Å
404R46.8Very low53Low185 Ų185102.2 Ų102.270%0.69852%0.517SS*.Hα-helixtrans-76.2-32.3178.3-159.4-179.7140-171.9-3.5111.7R400 E401 V402 A408 I411R400-R404 WeakPolarHBondContact O-CB 3.23Å; R400-R404 PolarHBondContact O-N 3.49Å; E401-R404 PolarHBondContact O-N 3.01Å; V402-R404 VanDerWaalsContact C-N 3.3Å; V402-R404 PolarHBondContact O-N 3.24Å; R404-A408 VanDerWaalsContact O-CB 3.26Å; R404-A408 WeakPolarHBondContact O-CB 3.49Å; R404-A408 PolarHBondContact O-N 3Å; R404-I411 HydrophobicContact CG-CD1 4.38Å
405R48.3Very low52.4Low207 Ų207100.4 Ų100.478%0.78151%0.509SS*.Hα-helixtrans-75.4-36.3173-78.3-178.1179.8179.22.6112.9E401 V402E401-R405 WeakPolarHBondContact O-CB 3.47Å; E401-R405 WeakPolarHBondContact O-CG 3.37Å; E401-R405 PolarHBondContact O-N 3.29Å; V402-R405 PolarHBondContact O-N 3.47Å
406K45.7Very low52.3Low170 Ų170102.6 Ų102.674%0.73954%0.536SS*.Hα-helixtrans-74-33170.2-77.4-172.7173.5-1760112.2V402V402-K406 WeakPolarHBondContact O-CB 3.15Å; V402-K406 PolarHBondContact O-N 2.82Å
407G39.1Very low53.3Low12 Ų12104.6 Ų104.612%0.12454%0.543CS..Hα-helixtrans-88-11.7-179.300000115.4T403 L409 E410 I411T403-G407 VanDerWaalsContact O-CA 3.29Å; T403-G407 WeakPolarHBondContact O-CA 3.21Å; T403-G407 PolarHBondContact O-N 3.03Å; G407-L409 PolarHBondContact O-N 3.5Å; G407-E410 CarbonylContact O-C 3.56Å; G407-E410 PolarHBondContact O-N 3.41Å; G407-I411 VanDerWaalsContact C-CD1 3.49Å; G407-I411 WeakPolarHBondContact O-CB 3.38Å; G407-I411 VanDerWaalsContact O-CD1 3.31Å; G407-I411 WeakPolarHBondContact O-CD1 3.17Å; G407-I411 WeakPolarHBondContact O-CG1 3.47Å; G407-I411 PolarHBondContact O-N 3.09Å
408A37.8Very low54.1Low81 Ų81100 Ų10067%0.66952%0.524SS*.THydrogen-bonded Turntrans-61-14.8176.800000113.4R404R404-A408 VanDerWaalsContact O-CB 3.26Å; R404-A408 WeakPolarHBondContact O-CB 3.49Å; R404-A408 PolarHBondContact O-N 3Å
409L37.1Very low55.1Low161 Ų16192 Ų9284%0.84350%0.496SS*.THydrogen-bonded Turntrans-94.4-10.4170-82.5149.9000114G407G407-L409 PolarHBondContact O-N 3.5Å
410E40.2Very low56.6Low141 Ų14192 Ų9266%0.65949%0.49SS*.THydrogen-bonded Turntrans-124.7-12.9-174.2-69.2-171.8164.300115.3G407 S412 N413G407-E410 CarbonylContact O-C 3.56Å; G407-E410 PolarHBondContact O-N 3.41Å; E410-S412 PolarHBondContact O-N 2.96Å; E410-N413 PolarHBondContact O-N 3.16Å
411I42Very low58.1Low118 Ų11889.3 Ų89.361%0.60548%0.481SS*.THydrogen-bonded Turntrans-65.5-10-175.3-73.9158.4000113.3R404 G407 N413R404-I411 HydrophobicContact CG-CD1 4.38Å; G407-I411 VanDerWaalsContact C-CD1 3.49Å; G407-I411 WeakPolarHBondContact O-CB 3.38Å; G407-I411 VanDerWaalsContact O-CD1 3.31Å; G407-I411 WeakPolarHBondContact O-CD1 3.17Å; G407-I411 WeakPolarHBondContact O-CG1 3.47Å; G407-I411 PolarHBondContact O-N 3.09Å; I411-N413 VanDerWaalsContact C-N 3.29Å; I411-N413 PolarHBondContact O-N 3.07Å
412S44.4Very low59.2Low107 Ų10789.4 Ų89.475%0.74849%0.492SS*.THydrogen-bonded Turntrans-78.9-6.5171.264.80000114.3E410E410-S412 PolarHBondContact O-N 2.96Å
413N49.8Very low60.5Low119 Ų11986.6 Ų86.664%0.63648%0.476SS*.SBendtrans-107.4119.1-176.7-74.2-13.5000111.5E410 I411E410-N413 PolarHBondContact O-N 3.16Å; I411-N413 VanDerWaalsContact C-N 3.29Å; I411-N413 PolarHBondContact O-N 3.07Å
414L61.6Low62Low77 Ų7789.1 Ų89.140%0.40349%0.486SS..  trans-50.9152164.7-68.7160.9000110.2G416 L418 D420L414-G416 PolarHBondContact O-N 3.15Å; L414-L418 HydrophobicContact CB-CD2 4.12Å; L414-L418 HydrophobicContact CD2-CD2 3.71Å; L414-L418 HydrophobicContact CG-CD2 4.32Å; L414-D420 HydrophobicContact CD1-CB 4.11Å; L414-D420 WeakPolarHBondContact CD1-OD2 3.44Å
415P63.8Low63.8Low17 Ų1783 Ų8311%0.1147%0.467CS..  trans-52.8133178.5-19.628.5000110.6K417 L418 S480 T483 A484P415-K417 HydrophobicContact CB-CG 4.28Å; P415-K417 PolarHBondContact O-N 2.87Å; P415-L418 HydrophobicContact CB-CB 4.16Å; P415-L418 HydrophobicContact CG-CB 4.27Å; P415-L418 WeakPolarHBondContact O-CB 3.45Å; P415-L418 PolarHBondContact O-N 3.31Å; P415-S480 VanDerWaalsContact CG-O 3.31Å; P415-S480 WeakPolarHBondContact CG-O 3.44Å; P415-T483 HydrophobicContact CG-CG2 4.31Å; P415-A484 HydrophobicContact CG-CB 4.34Å
416G66.3Low65.4Low93 Ų9375.3 Ų75.396%0.95944%0.444SS*.THydrogen-bonded Turntrans-59.6-18.7-176.100000114.8L414L414-G416 PolarHBondContact O-N 3.15Å
417K82.3Confident67.2Low51 Ų5174 Ų7422%0.22244%0.44CS..THydrogen-bonded Turntrans-88-16.4174.361.8177.8-176.7171.80114.5P415 A419 L455 P456 E477 S480P415-K417 HydrophobicContact CB-CG 4.28Å; P415-K417 PolarHBondContact O-N 2.87Å; K417-A419 PolarHBondContact O-N 2.93Å; K417-L455 HydrophobicContact CD-CD1 4.34Å; K417-L455 HydrophobicContact CG-CD1 4.03Å; K417-P456 HydrophobicContact CB-CG 4.29Å; K417-P456 PolarHBondContact NZ-O 2.88Å; K417-P456 VanDerWaalsContact O-CD 3.28Å; K417-P456 WeakPolarHBondContact O-CD 3.41Å; K417-E477 IonicContact NZ-OE1 3.6Å; K417-E477 PolarHBondContact NZ-OE1 2.74Å; K417-E477 IonicContact NZ-OE2 3.86Å; K417-E477 PolarHBondContact NZ-OE2 3.43Å; K417-S480 VanDerWaalsContact CE-OG 3.31Å; K417-S480 WeakPolarHBondContact CE-OG 3.26Å
418L87Confident69.3Low19 Ų1979.4 Ų79.410%0.09946%0.461CS..  trans-72.6121.1178.9-178.474.2000109.4L414 P415 D420 L431 L455 A484L414-L418 HydrophobicContact CB-CD2 4.12Å; L414-L418 HydrophobicContact CD2-CD2 3.71Å; L414-L418 HydrophobicContact CG-CD2 4.32Å; P415-L418 HydrophobicContact CB-CB 4.16Å; P415-L418 HydrophobicContact CG-CB 4.27Å; P415-L418 WeakPolarHBondContact O-CB 3.45Å; P415-L418 PolarHBondContact O-N 3.31Å; L418-D420 HydrophobicContact CD2-CB 4.45Å; L418-L431 HydrophobicContact CD1-CD1 3.69Å; L418-L455 HydrophobicContact CB-CD1 4.24Å; L418-L455 HydrophobicContact CD1-CB 3.95Å; L418-L455 HydrophobicContact CD1-CD1 4.08Å; L418-A484 HydrophobicContact CD1-CB 4.11Å; L418-A484 HydrophobicContact CD2-CB 3.94Å
419A89.7Confident71.8Confident11 Ų1175.6 Ų75.69%0.09143%0.429CS..BIsolated β-bridgetrans-89.9109.6163.600000107.7K417 K444 R447 A453 I454K417-A419 PolarHBondContact O-N 2.93Å; A419-K444 HydrophobicContact CB-CD 3.9Å; A419-K444 HydrophobicContact CB-CG 3.95Å; A419-R447 VanDerWaalsContact C-NH1 3.3Å; A419-R447 PolarHBondContact O-NH1 3.09Å; A419-A453 CarbonylContact O-C 3.46Å; A419-A453 VanDerWaalsContact O-CA 3.23Å; A419-A453 WeakPolarHBondContact O-CA 3.48Å; A419-I454 HydrophobicContact CB-CB 4.2Å; A419-I454 PolarHBondContact N-O 3.44Å; A419-I454 PolarHBondContact O-N 3.38Å
420D87.6Confident74.5Confident39 Ų3968 Ų6821%0.20939%0.389CS..  trans-87.1166.9-171.4-161.920.8000114L414 L418 R447 R499 Y500L414-D420 HydrophobicContact CD1-CB 4.11Å; L414-D420 WeakPolarHBondContact CD1-OD2 3.44Å; L418-D420 HydrophobicContact CD2-CB 4.45Å; D420-R447 PolarHBondContact O-NH1 3.11Å; D420-R447 PolarHBondContact O-NH2 2.91Å; D420-R499 IonicContact OD1-CZ 3.56Å; D420-R499 IonicContact OD1-NH1 3.49Å; D420-R499 PolarHBondContact OD1-NH1 3.13Å; D420-R499 IonicContact OD1-NH2 2.74Å; D420-R499 PolarHBondContact OD1-NH2 3.41Å; D420-R499 IonicContact OD2-CZ 3.02Å; D420-R499 IonicContact OD2-NH1 2.69Å; D420-R499 PolarHBondContact OD2-NH1 3.46Å; D420-R499 IonicContact OD2-NH2 2.61Å; D420-R499 PolarHBondContact OD2-NH2 3.12Å; D420-Y500 PolarHBondContact OD1-OH 3.22Å
421C87.3Confident77.1Confident8 Ų861.3 Ų61.35%0.05436%0.358CS..  trans-95.9158.717161.60000111.9C429 R449C421-C429 VanDerWaalsContact SG-SG 3.66Å; C421-R449 WeakPolarHBondContact CA-O 3.48Å
422S84.9Confident79.6Confident92 Ų9255.7 Ų55.764%0.64333%0.329SS*.SBendtrans-85.3-20.6-179.558.30000114.6R449 E450S422-R449 PolarHBondContact N-O 3.41Å; S422-R449 PolarHBondContact OG-O 3.48Å; S422-E450 PolarHBondContact N-O 2.75Å; S422-E450 WeakPolarHBondContact OG-CA 3.36Å
423S81.2Confident81.9Confident24 Ų2450.7 Ų50.717%0.16829%0.294CS..  trans-71.7146.6175.2-178.20000111.4D425 C429 E450S423-D425 PolarHBondContact OG-N 3.43Å; S423-D425 VanDerWaalsContact OG-N 3.14Å; S423-C429 PolarHBondContact O-SG 2.88Å; S423-C429 VanDerWaalsContact O-SG 3.42Å; S423-E450 WeakPolarHBondContact CB-O 3.27Å; S423-E450 PolarHBondContact N-O 2.85Å
424N79.3Confident83.9Confident140 Ų14045.1 Ų45.175%0.74926%0.264SS*.  trans-108.83.8172.1-67-39.8000112.2P426N424-P426 VanDerWaalsContact O-CD 3.24Å; N424-P426 WeakPolarHBondContact O-CD 3.36Å
425D83.8Confident85.1Confident56 Ų5643.2 Ų43.230%0.29925%0.253SS..  trans-85.2104.6179.6-179.1-2.3000109.7S423 E427 K428 C429S423-D425 PolarHBondContact OG-N 3.43Å; S423-D425 VanDerWaalsContact OG-N 3.14Å; D425-E427 PolarHBondContact O-N 2.97Å; D425-E427 VanDerWaalsContact O-N 3.14Å; D425-E427 PolarHBondContact OD1-N 2.92Å; D425-K428 HydrophobicContact CB-CB 4.43Å; D425-K428 HydrophobicContact CB-CD 4.41Å; D425-K428 PolarHBondContact O-N 2.73Å; D425-K428 VanDerWaalsContact O-N 3.13Å; D425-K428 VanDerWaalsContact OD2-CD 3.31Å; D425-K428 WeakPolarHBondContact OD2-CD 3.41Å; D425-K428 VanDerWaalsContact OD2-CE 3.24Å; D425-K428 WeakPolarHBondContact OD2-CE 3.38Å; D425-K428 WeakPolarHBondContact OD2-CG 3.45Å; D425-K428 IonicContact OD2-NZ 3.75Å; D425-C429 PolarHBondContact O-N 3.22Å; D425-C429 VanDerWaalsContact O-N 3.08Å; D425-C429 PolarHBondContact O-SG 3Å
426P83.4Confident86Confident45 Ų4543.5 Ų43.529%0.29226%0.259SS..THydrogen-bonded Turntrans-59.2-30.3-172.9-24.937.1000113.7N424 K428 C429 A498 R499 H501N424-P426 VanDerWaalsContact O-CD 3.24Å; N424-P426 WeakPolarHBondContact O-CD 3.36Å; P426-K428 VanDerWaalsContact C-N 3.31Å; P426-K428 PolarHBondContact O-N 3.04Å; P426-C429 PolarHBondContact O-N 3.38Å; P426-A498 WeakPolarHBondContact CB-O 3.25Å; P426-R499 WeakPolarHBondContact CA-O 3.3Å; P426-H501 WeakPolarHBondContact CB-NE2 3.5Å; P426-H501 VanDerWaalsContact O-CB 3.28Å; P426-H501 WeakPolarHBondContact O-CB 3.46Å; P426-H501 VanDerWaalsContact O-CG 3.31Å; P426-H501 PolarHBondContact O-N 2.94Å
427E83.5Confident86.6Confident142 Ų14243 Ų4366%0.66423%0.234SC*.THydrogen-bonded Turntrans-68.8-31.3-177.5-159.8174.4-164.600112.4D425 H501D425-E427 PolarHBondContact O-N 2.97Å; D425-E427 VanDerWaalsContact O-N 3.14Å; D425-E427 PolarHBondContact OD1-N 2.92Å; E427-H501 WeakPolarHBondContact CA-ND1 3.36Å
428K82.9Confident86.4Confident126 Ų12644.6 Ų44.655%0.54825%0.252SS..THydrogen-bonded Turntrans-88.3-28.2174.8-64.9179.9-173.5172.40112.7D425 P426D425-K428 HydrophobicContact CB-CB 4.43Å; D425-K428 HydrophobicContact CB-CD 4.41Å; D425-K428 PolarHBondContact O-N 2.73Å; D425-K428 VanDerWaalsContact O-N 3.13Å; D425-K428 VanDerWaalsContact OD2-CD 3.31Å; D425-K428 WeakPolarHBondContact OD2-CD 3.41Å; D425-K428 VanDerWaalsContact OD2-CE 3.24Å; D425-K428 WeakPolarHBondContact OD2-CE 3.38Å; D425-K428 WeakPolarHBondContact OD2-CG 3.45Å; D425-K428 IonicContact OD2-NZ 3.75Å; P426-K428 VanDerWaalsContact C-N 3.31Å; P426-K428 PolarHBondContact O-N 3.04Å
429C90.7Very high86.1Confident1 Ų143.9 Ų43.91%0.00725%0.249CC..  trans-74.6133.3-171.4-67.40000112.5C421 S423 D425 P426 F451 Y500 H501 K502C421-C429 VanDerWaalsContact SG-SG 3.66Å; S423-C429 PolarHBondContact O-SG 2.88Å; S423-C429 VanDerWaalsContact O-SG 3.42Å; D425-C429 PolarHBondContact O-N 3.22Å; D425-C429 VanDerWaalsContact O-N 3.08Å; D425-C429 PolarHBondContact O-SG 3Å; P426-C429 PolarHBondContact O-N 3.38Å; C429-F451 CarbonylContact C-O 3.59Å; C429-F451 WeakPolarHBondContact CA-O 3.37Å; C429-Y500 HydrophobicContact CB-CD1 3.66Å; C429-Y500 HydrophobicContact CB-CE1 4.28Å; C429-Y500 WeakPolarHBondContact O-CA 3.37Å; C429-H501 PolarHBondContact O-N 3.38Å; C429-K502 PolarHBondContact O-N 2.87Å
430E93.8Very high85.9Confident2 Ų243.7 Ų43.71%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-121.6136.9-178.1-48.3-176.6154.600109.5F432 F451 Q452 A453 K502 R605E430-F432 HydrophobicContact CB-CE2 4.08Å; E430-F451 HydrophobicContact CG-CD2 4.02Å; E430-F451 HydrophobicContact CG-CE2 4.47Å; E430-F451 PolarHBondContact N-O 3.38Å; E430-F451 WeakPolarHBondContact OE2-CE2 3.47Å; E430-Q452 HydrophobicContact CB-CG 4.38Å; E430-Q452 CarbonylContact O-C 3.56Å; E430-Q452 WeakPolarHBondContact O-CA 3.24Å; E430-Q452 PolarHBondContact OE2-NE2 2.92Å; E430-A453 PolarHBondContact O-N 3.31Å; E430-K502 CarbonylContact C-O 3.48Å; E430-K502 VanDerWaalsContact CA-O 3.29Å; E430-K502 WeakPolarHBondContact CA-O 3.41Å; E430-K502 HydrophobicContact CB-CB 4.21Å; E430-K502 HydrophobicContact CG-CB 4.01Å; E430-K502 HydrophobicContact CG-CD 4.24Å; E430-K502 HydrophobicContact CG-CG 4.29Å; E430-K502 IonicContact OE1-NZ 2.84Å; E430-K502 PolarHBondContact OE1-NZ 3.38Å; E430-R605 IonicContact OE1-CZ 3.4Å; E430-R605 IonicContact OE1-NH1 2.77Å; E430-R605 PolarHBondContact OE1-NH1 2.9Å; E430-R605 IonicContact OE1-NH2 2.99Å; E430-R605 PolarHBondContact OE1-NH2 3.46Å; E430-R605 IonicContact OE2-CZ 3.34Å; E430-R605 IonicContact OE2-NH1 3.07Å; E430-R605 PolarHBondContact OE2-NH1 2.82Å; E430-R605 IonicContact OE2-NH2 3.21Å
431L94.4Very high85.8Confident0 Ų043 Ų430%025%0.251CS..EExtended strand (participates in β ladder)trans-114.5109.4175178.865.2000109.7L418 I433 A453 L455 L481 M485 Y500 K502 V504L418-L431 HydrophobicContact CD1-CD1 3.69Å; L431-I433 HydrophobicContact CG-CG1 4.37Å; L431-A453 HydrophobicContact CD1-CB 3.8Å; L431-L455 HydrophobicContact CD1-CB 4.02Å; L431-L481 HydrophobicContact CD2-CD1 4.27Å; L431-M485 HydrophobicContact CD2-SD 4.33Å; L431-Y500 HydrophobicContact CB-CD1 4.01Å; L431-Y500 HydrophobicContact CB-CD2 3.8Å; L431-Y500 HydrophobicContact CB-CE1 4.49Å; L431-Y500 HydrophobicContact CB-CE2 4.25Å; L431-Y500 HydrophobicContact CB-CG 3.68Å; L431-Y500 HydrophobicContact CD1-CE2 4.26Å; L431-Y500 HydrophobicContact CD2-CD2 4.01Å; L431-Y500 HydrophobicContact CD2-CE2 4.17Å; L431-Y500 HydrophobicContact CG-CD2 4.36Å; L431-Y500 HydrophobicContact CG-CE2 4.47Å; L431-K502 PolarHBondContact N-O 3.14Å; L431-V504 PolarHBondContact O-N 2.85Å
432F94.3Very high85.7Confident0 Ų043.7 Ų43.70%026%0.255CS..EExtended strand (participates in β ladder)trans-86120.1172.7-72.7-102.4000110.2E430 V434 Q452 A453 I454 L455 V504 M506 M600E430-F432 HydrophobicContact CB-CE2 4.08Å; F432-V434 HydrophobicContact CB-CG2 4.18Å; F432-Q452 HydrophobicContact CD2-CB 4.28Å; F432-Q452 HydrophobicContact CE2-CB 4.13Å; F432-Q452 HydrophobicContact CE2-CG 3.88Å; F432-A453 PolarHBondContact N-O 2.92Å; F432-I454 HydrophobicContact CB-CD1 3.74Å; F432-I454 HydrophobicContact CD2-CD1 4.35Å; F432-I454 HydrophobicContact CG-CD1 4.22Å; F432-I454 CarbonylContact O-C 3.6Å; F432-I454 WeakPolarHBondContact O-CA 3.41Å; F432-L455 PolarHBondContact O-N 2.83Å; F432-V504 CarbonylContact C-O 3.58Å; F432-V504 WeakPolarHBondContact CA-O 3.34Å; F432-V504 HydrophobicContact CD1-CB 3.87Å; F432-V504 HydrophobicContact CD1-CG1 3.83Å; F432-V504 HydrophobicContact CE1-CB 3.97Å; F432-V504 HydrophobicContact CE1-CG1 3.68Å; F432-V504 HydrophobicContact CE1-CG2 4.27Å; F432-V504 HydrophobicContact CE2-CG2 4.35Å; F432-V504 HydrophobicContact CG-CB 4.19Å; F432-V504 HydrophobicContact CZ-CB 4.34Å; F432-V504 HydrophobicContact CZ-CG1 4.35Å; F432-V504 HydrophobicContact CZ-CG2 4.17Å; F432-M506 HydrophobicContact CD1-CB 4.32Å; F432-M506 HydrophobicContact CD1-CE 4.44Å; F432-M506 HydrophobicContact CD1-SD 3.84Å; F432-M506 HydrophobicContact CE1-SD 4.27Å; F432-M600 HydrophobicContact CD1-CE 4.37Å; F432-M600 HydrophobicContact CD2-CE 4.34Å; F432-M600 HydrophobicContact CE1-CB 4.48Å; F432-M600 HydrophobicContact CE1-CE 4.39Å; F432-M600 HydrophobicContact CE1-CG 4.13Å; F432-M600 HydrophobicContact CE2-CE 4.39Å; F432-M600 HydrophobicContact CG-CE 4.34Å; F432-M600 HydrophobicContact CZ-CB 4.38Å; F432-M600 HydrophobicContact CZ-CE 4.4Å; F432-M600 HydrophobicContact CZ-CG 4.47Å
433I93.3Very high85.9Confident2 Ų239.3 Ų39.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-99.7112.6177.4-56.2171000107.4L431 L455 I457 L481 L503 V504 M506 L520 F524L431-I433 HydrophobicContact CG-CG1 4.37Å; I433-L455 WeakPolarHBondContact CA-O 3.45Å; I433-I457 HydrophobicContact CG2-CD1 3.23Å; I433-I457 HydrophobicContact CG2-CG1 3.77Å; I433-L481 HydrophobicContact CD1-CD1 3.66Å; I433-L481 HydrophobicContact CG1-CD1 4.15Å; I433-L503 HydrophobicContact CD1-CD2 4.41Å; I433-V504 PolarHBondContact N-O 3.28Å; I433-M506 PolarHBondContact O-N 2.75Å; I433-L520 HydrophobicContact CG2-CD1 3.9Å; I433-L520 HydrophobicContact CG2-CD2 4.33Å; I433-F524 HydrophobicContact CD1-CE2 4.31Å; I433-F524 HydrophobicContact CD1-CZ 3.6Å
434V90.9Very high86.3Confident2 Ų243.8 Ų43.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-116.8141.3-164.9-167.80000111.8F432 G436 A439 A443 I454 L455 P456 I457 M506F432-V434 HydrophobicContact CB-CG2 4.18Å; V434-G436 PolarHBondContact O-N 2.94Å; V434-A439 HydrophobicContact CG1-CB 3.46Å; V434-A439 VanDerWaalsContact CG1-CB 3.46Å; V434-A443 HydrophobicContact CG2-CB 4.29Å; V434-I454 HydrophobicContact CG2-CG2 3.75Å; V434-L455 PolarHBondContact N-O 2.96Å; V434-P456 WeakPolarHBondContact O-CA 3.41Å; V434-I457 PolarHBondContact O-N 3.46Å; V434-M506 WeakPolarHBondContact CA-O 3.43Å; V434-M506 HydrophobicContact CB-CE 4.36Å; V434-M506 HydrophobicContact CG1-CE 3.87Å; V434-M506 HydrophobicContact CG2-CE 3.54Å
435E86.5Confident86.8Confident38 Ų3843.2 Ų43.218%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-74.4112.8175.1-178170.2-171.300111.9M506 D508 G513 I516E435-M506 PolarHBondContact N-O 3.41Å; E435-D508 PolarHBondContact OE2-N 3.26Å; E435-G513 VanDerWaalsContact OE2-CA 3.32Å; E435-G513 WeakPolarHBondContact OE2-CA 3.46Å; E435-I516 HydrophobicContact CB-CD1 4.31Å; E435-I516 HydrophobicContact CG-CD1 3.63Å; E435-I516 WeakPolarHBondContact OE1-CD1 3.46Å
436G82.8Confident86.9Confident22 Ų2241.2 Ų41.223%0.22723%0.226CC..Hα-helixtrans73.8168.7173.800000115.8V434 S438 G440 I457V434-G436 PolarHBondContact O-N 2.94Å; G436-S438 VanDerWaalsContact C-N 3.33Å; G436-G440 PolarHBondContact O-N 2.84Å; G436-I457 WeakPolarHBondContact CA-O 3.31Å; G436-I457 PolarHBondContact N-O 2.82Å
437D80Confident87.3Confident82 Ų8240.4 Ų40.444%0.43922%0.218SC..Hα-helixtrans-75.6-22.4-178-69.9-24.3000112.4G441 R458D437-G441 PolarHBondContact O-N 3.04Å; D437-R458 IonicContact OD1-NE 3.29Å; D437-R458 IonicContact OD1-NH2 3.59Å; D437-R458 IonicContact OD2-CZ 3.38Å; D437-R458 VanDerWaalsContact OD2-CZ 3.3Å; D437-R458 IonicContact OD2-NE 2.69Å; D437-R458 PolarHBondContact OD2-NE 3.37Å; D437-R458 IonicContact OD2-NH2 2.76Å; D437-R458 PolarHBondContact OD2-NH2 3.19Å
438S77.2Confident87.6Confident86 Ų8635 Ų3560%0.60120%0.196SC*.Hα-helixtrans-69.2-59.8-179.4-165.30000111.4G436 G440 G441 S442G436-S438 VanDerWaalsContact C-N 3.33Å; S438-G440 VanDerWaalsContact C-N 3.27Å; S438-G440 PolarHBondContact O-N 3.35Å; S438-G441 WeakPolarHBondContact O-CA 3.33Å; S438-G441 PolarHBondContact O-N 3.4Å; S438-S442 PolarHBondContact O-N 3.08Å
439A80.7Confident87.9Confident3 Ų337.2 Ų37.23%0.02520%0.201CC..Hα-helixtrans-63.6-35.7175.100000111.3V434 G441 S442 A443 L587V434-A439 HydrophobicContact CG1-CB 3.46Å; V434-A439 VanDerWaalsContact CG1-CB 3.46Å; A439-G441 PolarHBondContact O-N 3.47Å; A439-S442 PolarHBondContact O-N 3.41Å; A439-A443 VanDerWaalsContact O-CB 3.28Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.91Å; A439-L587 HydrophobicContact CB-CB 3.71Å; A439-L587 HydrophobicContact CB-CD1 4.34Å
440G84.9Confident87.8Confident7 Ų743.2 Ų43.27%0.07223%0.229CC..Hα-helixtrans-59.1-34.5171.700000113.3G436 S438 K444G436-G440 PolarHBondContact O-N 2.84Å; S438-G440 VanDerWaalsContact C-N 3.27Å; S438-G440 PolarHBondContact O-N 3.35Å; G440-K444 WeakPolarHBondContact O-CB 3.33Å; G440-K444 PolarHBondContact O-N 2.75Å
441G85.5Confident87.6Confident26 Ų2645 Ų4527%0.26824%0.236SC..Hα-helixtrans-67-46.8175.500000113.4D437 S438 A439 Q445D437-G441 PolarHBondContact O-N 3.04Å; S438-G441 WeakPolarHBondContact O-CA 3.33Å; S438-G441 PolarHBondContact O-N 3.4Å; A439-G441 PolarHBondContact O-N 3.47Å; G441-Q445 WeakPolarHBondContact O-CG 3.35Å; G441-Q445 PolarHBondContact O-N 3.24Å; G441-Q445 PolarHBondContact O-NE2 2.84Å
442S86Confident87.6Confident22 Ų2245 Ų4515%0.15424%0.236CC..Hα-helixtrans-65.5-46175.4-600000111.4S438 A439 K444 Q445 G446S438-S442 PolarHBondContact O-N 3.08Å; A439-S442 PolarHBondContact O-N 3.41Å; S442-K444 VanDerWaalsContact C-N 3.34Å; S442-K444 PolarHBondContact O-N 3.2Å; S442-Q445 PolarHBondContact O-N 2.9Å; S442-Q445 VanDerWaalsContact O-N 3.1Å; S442-G446 PolarHBondContact O-N 3.44Å
443A89.1Confident87.5Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-61-40.617800000112.4V434 A439 Q445 R447 I454 M506 L595 M600V434-A443 HydrophobicContact CG2-CB 4.29Å; A439-A443 VanDerWaalsContact O-CB 3.28Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.91Å; A443-Q445 VanDerWaalsContact C-N 3.25Å; A443-Q445 PolarHBondContact O-N 3.17Å; A443-R447 VanDerWaalsContact O-CB 3.27Å; A443-R447 WeakPolarHBondContact O-CB 3.33Å; A443-R447 PolarHBondContact O-N 3.49Å; A443-R447 VanDerWaalsContact O-N 3.07Å; A443-I454 HydrophobicContact CB-CD1 3.94Å; A443-I454 HydrophobicContact CB-CG1 4.37Å; A443-I454 HydrophobicContact CB-CG2 4.17Å; A443-M506 HydrophobicContact CB-CE 3.67Å; A443-L595 HydrophobicContact CB-CD2 3.97Å; A443-M600 HydrophobicContact CB-CE 4.33Å; A443-M600 HydrophobicContact CB-SD 4.19Å
444K90.3Very high87.5Confident117 Ų11745 Ų4551%0.50924%0.236SC..Hα-helixtrans-62.9-31.7176.7-177.2177.9179.1178.90113A419 G440 S442A419-K444 HydrophobicContact CB-CD 3.9Å; A419-K444 HydrophobicContact CB-CG 3.95Å; G440-K444 WeakPolarHBondContact O-CB 3.33Å; G440-K444 PolarHBondContact O-N 2.75Å; S442-K444 VanDerWaalsContact C-N 3.34Å; S442-K444 PolarHBondContact O-N 3.2Å
445Q88.8Confident87.6Confident128 Ų12845 Ų4560%0.59824%0.236SC*.Hα-helixtrans-81.1-44.7178.9-72.717574.700111.9G441 S442 A443 D592G441-Q445 WeakPolarHBondContact O-CG 3.35Å; G441-Q445 PolarHBondContact O-N 3.24Å; G441-Q445 PolarHBondContact O-NE2 2.84Å; S442-Q445 PolarHBondContact O-N 2.9Å; S442-Q445 VanDerWaalsContact O-N 3.1Å; A443-Q445 VanDerWaalsContact C-N 3.25Å; A443-Q445 PolarHBondContact O-N 3.17Å; Q445-D592 HydrophobicContact CB-CB 3.87Å
446G85.9Confident87.8Confident14 Ų1443.8 Ų43.814%0.14423%0.232CC..Hα-helixtrans-78.1-21.6-176.100000115.7S442S442-G446 PolarHBondContact O-N 3.44Å
447R91.1Very high88Confident29 Ų2942.9 Ų42.911%0.10922%0.222CC..SBendtrans-62.4158.3-174.773.1-170.9-175.4149.92.1115.4A419 D420 A443 R449 Q452 I454 M600A419-R447 VanDerWaalsContact C-NH1 3.3Å; A419-R447 PolarHBondContact O-NH1 3.09Å; D420-R447 PolarHBondContact O-NH1 3.11Å; D420-R447 PolarHBondContact O-NH2 2.91Å; A443-R447 VanDerWaalsContact O-CB 3.27Å; A443-R447 WeakPolarHBondContact O-CB 3.33Å; A443-R447 PolarHBondContact O-N 3.49Å; A443-R447 VanDerWaalsContact O-N 3.07Å; R447-R449 HydrophobicContact CG-CG 4.34Å; R447-R449 PolarHBondContact O-N 3.49Å; R447-Q452 HydrophobicContact CB-CB 4.08Å; R447-Q452 WeakPolarHBondContact CD-O 3.41Å; R447-Q452 PolarHBondContact NH1-O 2.95Å; R447-I454 HydrophobicContact CB-CD1 4.31Å; R447-M600 HydrophobicContact CB-CE 3.62Å
448S90.3Very high88Confident29 Ų2946.7 Ų46.720%0.20323%0.23CC..  trans-77.3107.5157.8179.90000110.8E450 F451 Q452S448-E450 PolarHBondContact O-N 2.93Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-F451 PolarHBondContact O-N 2.96Å; S448-F451 WeakPolarHBondContact OG-CD1 3.44Å; S448-F451 WeakPolarHBondContact OG-CE1 3.4Å; S448-Q452 WeakPolarHBondContact O-CB 3.35Å; S448-Q452 PolarHBondContact O-N 3.14Å
449R90.2Very high87.8Confident172 Ų17245 Ų4565%0.64923%0.226SC*.THydrogen-bonded Turntrans-62.7-17.3179.2-62.2-179.3-177.1-179.82.2113.5C421 S422 R447C421-R449 WeakPolarHBondContact CA-O 3.48Å; S422-R449 PolarHBondContact N-O 3.41Å; S422-R449 PolarHBondContact OG-O 3.48Å; R447-R449 HydrophobicContact CG-CG 4.34Å; R447-R449 PolarHBondContact O-N 3.49Å
450E87.4Confident87.8Confident127 Ų12749.4 Ų49.459%0.59325%0.245SC*.THydrogen-bonded Turntrans-65.1-47179.3-174.4175.9178.500111.3S422 S423 S448S422-E450 PolarHBondContact N-O 2.75Å; S422-E450 WeakPolarHBondContact OG-CA 3.36Å; S423-E450 WeakPolarHBondContact CB-O 3.27Å; S423-E450 PolarHBondContact N-O 2.85Å; S448-E450 PolarHBondContact O-N 2.93Å; S448-E450 VanDerWaalsContact O-N 3.09Å
451F90.2Very high87.9Confident39 Ų3949.5 Ų49.517%0.17124%0.243CC..THydrogen-bonded Turntrans-131-6.1-170.266.2-93.6000115C429 E430 S448 P602C429-F451 CarbonylContact C-O 3.59Å; C429-F451 WeakPolarHBondContact CA-O 3.37Å; E430-F451 HydrophobicContact CG-CD2 4.02Å; E430-F451 HydrophobicContact CG-CE2 4.47Å; E430-F451 PolarHBondContact N-O 3.38Å; E430-F451 WeakPolarHBondContact OE2-CE2 3.47Å; S448-F451 PolarHBondContact O-N 2.96Å; S448-F451 WeakPolarHBondContact OG-CD1 3.44Å; S448-F451 WeakPolarHBondContact OG-CE1 3.4Å; F451-P602 HydrophobicContact CE2-CG 3.91Å; F451-P602 HydrophobicContact CZ-CG 3.73Å
452Q93.4Very high88Confident0 Ų050.6 Ų50.60%024%0.243CC..EExtended strand (participates in β ladder)trans-110.3120.1-178.3-58.7-177.8-36.700112.7E430 F432 R447 S448 M600E430-Q452 HydrophobicContact CB-CG 4.38Å; E430-Q452 CarbonylContact O-C 3.56Å; E430-Q452 WeakPolarHBondContact O-CA 3.24Å; E430-Q452 PolarHBondContact OE2-NE2 2.92Å; F432-Q452 HydrophobicContact CD2-CB 4.28Å; F432-Q452 HydrophobicContact CE2-CB 4.13Å; F432-Q452 HydrophobicContact CE2-CG 3.88Å; R447-Q452 HydrophobicContact CB-CB 4.08Å; R447-Q452 WeakPolarHBondContact CD-O 3.41Å; R447-Q452 PolarHBondContact NH1-O 2.95Å; S448-Q452 WeakPolarHBondContact O-CB 3.35Å; S448-Q452 PolarHBondContact O-N 3.14Å; Q452-M600 PolarHBondContact NE2-O 2.83Å
453A93.7Very high88.1Confident0 Ų051.1 Ų51.10%024%0.244CC..EExtended strand (participates in β ladder)trans-97.9149.617100000111.1A419 E430 L431 F432 Y500A419-A453 CarbonylContact O-C 3.46Å; A419-A453 VanDerWaalsContact O-CA 3.23Å; A419-A453 WeakPolarHBondContact O-CA 3.48Å; E430-A453 PolarHBondContact O-N 3.31Å; L431-A453 HydrophobicContact CD1-CB 3.8Å; F432-A453 PolarHBondContact N-O 2.92Å; A453-Y500 HydrophobicContact CB-CD1 4.39Å; A453-Y500 HydrophobicContact CB-CE1 3.52Å
454I93.3Very high88.1Confident2 Ų251.2 Ų51.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-123.9127.3179.5-47.7-59.9000109.7A419 F432 V434 A443 R447 M600A419-I454 HydrophobicContact CB-CB 4.2Å; A419-I454 PolarHBondContact N-O 3.44Å; A419-I454 PolarHBondContact O-N 3.38Å; F432-I454 HydrophobicContact CB-CD1 3.74Å; F432-I454 HydrophobicContact CD2-CD1 4.35Å; F432-I454 HydrophobicContact CG-CD1 4.22Å; F432-I454 CarbonylContact O-C 3.6Å; F432-I454 WeakPolarHBondContact O-CA 3.41Å; V434-I454 HydrophobicContact CG2-CG2 3.75Å; A443-I454 HydrophobicContact CB-CD1 3.94Å; A443-I454 HydrophobicContact CB-CG1 4.37Å; A443-I454 HydrophobicContact CB-CG2 4.17Å; R447-I454 HydrophobicContact CB-CD1 4.31Å; I454-M600 HydrophobicContact CD1-CE 3.85Å
455L92.9Very high87.7Confident1 Ų147.3 Ų47.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-121.4101.6173.5-176.166.9000110.2K417 L418 L431 F432 I433 V434 L481K417-L455 HydrophobicContact CD-CD1 4.34Å; K417-L455 HydrophobicContact CG-CD1 4.03Å; L418-L455 HydrophobicContact CB-CD1 4.24Å; L418-L455 HydrophobicContact CD1-CB 3.95Å; L418-L455 HydrophobicContact CD1-CD1 4.08Å; L431-L455 HydrophobicContact CD1-CB 4.02Å; F432-L455 PolarHBondContact O-N 2.83Å; I433-L455 WeakPolarHBondContact CA-O 3.45Å; V434-L455 PolarHBondContact N-O 2.96Å; L455-L481 HydrophobicContact CD2-CB 4.17Å; L455-L481 HydrophobicContact CD2-CD1 3.56Å; L455-L481 HydrophobicContact CD2-CG 4.49Å
456P90.8Very high87.1Confident13 Ų1345.4 Ų45.48%0.08422%0.218CC..EExtended strand (participates in β ladder)trans-73.5136.1173.827.7-30000111.1K417 V434K417-P456 HydrophobicContact CB-CG 4.29Å; K417-P456 PolarHBondContact NZ-O 2.88Å; K417-P456 VanDerWaalsContact O-CD 3.28Å; K417-P456 WeakPolarHBondContact O-CD 3.41Å; V434-P456 WeakPolarHBondContact O-CA 3.41Å
457I87.4Confident86.7Confident4 Ų445.5 Ų45.52%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-107.6129.8175.3-62-169.3000109.7I433 V434 G436 I461 E477 L520I433-I457 HydrophobicContact CG2-CD1 3.23Å; I433-I457 HydrophobicContact CG2-CG1 3.77Å; V434-I457 PolarHBondContact O-N 3.46Å; G436-I457 WeakPolarHBondContact CA-O 3.31Å; G436-I457 PolarHBondContact N-O 2.82Å; I457-I461 HydrophobicContact CD1-CD1 3.5Å; I457-I461 HydrophobicContact CD1-CG1 4.22Å; I457-I461 HydrophobicContact CG2-CD1 4.18Å; I457-I461 HydrophobicContact CG2-CG1 3.76Å; I457-E477 VanDerWaalsContact CA-OE2 3.24Å; I457-E477 WeakPolarHBondContact CA-OE2 3.31Å; I457-E477 HydrophobicContact CG2-CG 4.33Å; I457-E477 WeakPolarHBondContact CG2-OE2 3.26Å; I457-L520 HydrophobicContact CD1-CD2 4.07Å
458R79.1Confident85.9Confident162 Ų16246.7 Ų46.761%0.61123%0.23SC*.  trans-95.3109-179.2-70.7-178.3175.1175.7-3.6110.9D437 E477D437-R458 IonicContact OD1-NE 3.29Å; D437-R458 IonicContact OD1-NH2 3.59Å; D437-R458 IonicContact OD2-CZ 3.38Å; D437-R458 VanDerWaalsContact OD2-CZ 3.3Å; D437-R458 IonicContact OD2-NE 2.69Å; D437-R458 PolarHBondContact OD2-NE 3.37Å; D437-R458 IonicContact OD2-NH2 2.76Å; D437-R458 PolarHBondContact OD2-NH2 3.19Å; R458-E477 PolarHBondContact N-OE2 3.2Å; R458-E477 VanDerWaalsContact N-OE2 3.15Å
459G72.5Confident85Confident50 Ų5048.5 Ų48.552%0.51524%0.236SC..SBendtrans73.4-165.5178.900000113.3
460K81.6Confident83.9Confident96 Ų9644.7 Ų44.742%0.41723%0.228SC..PPolyproline II helixtrans-76.6134.3-177.8-66.1176.6175.3-168.40110.9D512 H515 L519K460-D512 WeakPolarHBondContact CE-OD1 3.47Å; K460-D512 IonicContact NZ-OD1 2.8Å; K460-D512 PolarHBondContact NZ-OD1 2.63Å; K460-H515 WeakPolarHBondContact CD-ND1 3.19Å; K460-L519 HydrophobicContact CB-CD1 4.29Å
461I86.6Confident83.5Confident9 Ų945.2 Ų45.25%0.04623%0.229CC..PPolyproline II helixtrans-67.9149.5174.5-58.6-179.1000110I457 N463 I478 L519 L520I457-I461 HydrophobicContact CD1-CD1 3.5Å; I457-I461 HydrophobicContact CD1-CG1 4.22Å; I457-I461 HydrophobicContact CG2-CD1 4.18Å; I457-I461 HydrophobicContact CG2-CG1 3.76Å; I461-N463 PolarHBondContact O-N 2.94Å; I461-I478 HydrophobicContact CG2-CD1 4.41Å; I461-I478 HydrophobicContact CG2-CG1 4.16Å; I461-L519 HydrophobicContact CB-CB 4.1Å; I461-L519 HydrophobicContact CB-CD1 4.49Å; I461-L519 WeakPolarHBondContact O-CD1 3.39Å; I461-L520 HydrophobicContact CD1-CD1 4.29Å; I461-L520 HydrophobicContact CD1-CD2 3.18Å; I461-L520 HydrophobicContact CD1-CG 3.45Å; I461-L520 VanDerWaalsContact CD1-CG 3.45Å
462L87.9Confident83Confident49 Ų4943.3 Ų43.326%0.25722%0.22SC..PPolyproline II helixtrans-61.3127.5173.2179.469.1000110.2V464 A467 K471 I472 N475 I478L462-V464 PolarHBondContact O-N 2.81Å; L462-A467 HydrophobicContact CD1-CB 4.38Å; L462-A467 HydrophobicContact CD2-CB 3.76Å; L462-A467 HydrophobicContact CG-CB 4.04Å; L462-K471 HydrophobicContact CD2-CB 4.21Å; L462-I472 HydrophobicContact CD2-CG1 4.22Å; L462-N475 HydrophobicContact CD2-CB 4.38Å; L462-I478 HydrophobicContact CB-CD1 4.27Å
463N88.4Confident82.1Confident32 Ų3245.7 Ų45.717%0.17123%0.233CC..  trans-66.1106.5169.1-179.8-0.8000109.3I461 E465 A467 L519 M626I461-N463 PolarHBondContact O-N 2.94Å; N463-E465 VanDerWaalsContact C-N 3.3Å; N463-E465 PolarHBondContact O-N 2.93Å; N463-E465 VanDerWaalsContact OD1-CB 3.25Å; N463-E465 WeakPolarHBondContact OD1-CB 3.5Å; N463-E465 PolarHBondContact OD1-N 3.36Å; N463-E465 VanDerWaalsContact OD1-N 3.08Å; N463-A467 WeakPolarHBondContact O-CB 3.41Å; N463-L519 HydrophobicContact CB-CD2 3.69Å; N463-M626 PolarHBondContact ND2-O 2.89Å
464V87.9Confident81.3Confident3 Ų349.6 Ų49.62%0.01827%0.265CS..G310 helixtrans-73.9-21-175.4-61.90000113.7L462 K466 A467 I472 I478 T522 L523 R526 Y527L462-V464 PolarHBondContact O-N 2.81Å; V464-K466 PolarHBondContact O-N 3.01Å; V464-A467 PolarHBondContact O-N 3.03Å; V464-I472 HydrophobicContact CB-CD1 3.82Å; V464-I472 HydrophobicContact CB-CG1 4.3Å; V464-I472 HydrophobicContact CG1-CD1 4.06Å; V464-I472 HydrophobicContact CG1-CG1 4.07Å; V464-I472 HydrophobicContact CG1-CG2 4.32Å; V464-I478 HydrophobicContact CG1-CD1 3.74Å; V464-T522 HydrophobicContact CG2-CG2 3.92Å; V464-L523 HydrophobicContact CG1-CD1 3.76Å; V464-L523 HydrophobicContact CG2-CB 4.48Å; V464-R526 HydrophobicContact CG2-CB 4.4Å; V464-Y527 HydrophobicContact CB-CD2 4.17Å; V464-Y527 HydrophobicContact CB-CE2 3.56Å; V464-Y527 HydrophobicContact CG1-CE2 4.28Å; V464-Y527 HydrophobicContact CG2-CD2 3.9Å; V464-Y527 HydrophobicContact CG2-CE2 3.58Å
465E82.5Confident80.8Confident34 Ų3451.2 Ų51.216%0.15927%0.274CS..G310 helixtrans-61.5-36.1178.2-160.168.7-170.500111.9N463 T522 R526 M626N463-E465 VanDerWaalsContact C-N 3.3Å; N463-E465 PolarHBondContact O-N 2.93Å; N463-E465 VanDerWaalsContact OD1-CB 3.25Å; N463-E465 WeakPolarHBondContact OD1-CB 3.5Å; N463-E465 PolarHBondContact OD1-N 3.36Å; N463-E465 VanDerWaalsContact OD1-N 3.08Å; E465-T522 HydrophobicContact CB-CG2 4.35Å; E465-R526 VanDerWaalsContact CD-NE 3.29Å; E465-R526 IonicContact OE1-CZ 3.3Å; E465-R526 IonicContact OE1-NE 2.71Å; E465-R526 PolarHBondContact OE1-NE 3.41Å; E465-R526 VanDerWaalsContact OE1-NE 3.08Å; E465-R526 IonicContact OE1-NH2 3.34Å; E465-R526 PolarHBondContact OE1-NH2 3.02Å; E465-R526 WeakPolarHBondContact OE2-CD 3.33Å; E465-R526 WeakPolarHBondContact OE2-CG 3.12Å; E465-R526 IonicContact OE2-CZ 2.71Å; E465-R526 IonicContact OE2-NE 3.35Å; E465-R526 PolarHBondContact OE2-NE 3.11Å; E465-R526 IonicContact OE2-NH2 2.73Å; E465-M626 HydrophobicContact CB-CB 3.81Å; E465-M626 HydrophobicContact CG-CB 4Å
466K76.5Confident80.4Confident89 Ų8957.1 Ų57.139%0.38730%0.301SS..G310 helixtrans-99.5-3.4-177.5-59.1179.4175-110.70113.4V464 M626 G627 D628V464-K466 PolarHBondContact O-N 3.01Å; K466-M626 WeakPolarHBondContact CE-O 3.2Å; K466-M626 WeakPolarHBondContact CG-O 3.33Å; K466-G627 WeakPolarHBondContact CE-O 3.47Å; K466-G627 PolarHBondContact NZ-O 3.42Å; K466-D628 VanDerWaalsContact CD-OD1 3.3Å; K466-D628 WeakPolarHBondContact CD-OD1 3.26Å; K466-D628 WeakPolarHBondContact CE-OD1 3.4Å; K466-D628 WeakPolarHBondContact CG-OD1 3.45Å; K466-D628 IonicContact NZ-OD1 3.63Å; K466-D628 PolarHBondContact NZ-OD1 3.34Å
467A76.1Confident80.1Confident15 Ų1557.7 Ų57.712%0.12430%0.303CS..SBendtrans-101137.9-171.300000110.7L462 N463 V464 K471 I472L462-A467 HydrophobicContact CD1-CB 4.38Å; L462-A467 HydrophobicContact CD2-CB 3.76Å; L462-A467 HydrophobicContact CG-CB 4.04Å; N463-A467 WeakPolarHBondContact O-CB 3.41Å; V464-A467 PolarHBondContact O-N 3.03Å; A467-K471 HydrophobicContact CB-CB 4.3Å; A467-I472 HydrophobicContact CB-CD1 4.17Å; A467-I472 HydrophobicContact CB-CG1 3.75Å
468S74.3Confident80.1Confident55 Ų5557.6 Ų57.639%0.38530%0.302SS..  trans-65.9153.7167.864.30000110.8D470 K471 I472S468-D470 PolarHBondContact O-N 2.85Å; S468-D470 VanDerWaalsContact O-N 3.13Å; S468-K471 WeakPolarHBondContact O-CB 3.24Å; S468-K471 PolarHBondContact O-N 3.18Å; S468-I472 WeakPolarHBondContact O-CG1 3.49Å; S468-I472 PolarHBondContact O-N 3.15Å; S468-I472 VanDerWaalsContact O-N 3.15Å
469M71.4Confident80.2Confident67 Ų6756.2 Ų56.233%0.3330%0.297SS..Hα-helixtrans-51.3-38.2177.5-172.16571.600113A396 I472 L473 F489 Y527A396-M469 HydrophobicContact CB-CG 4.47Å; M469-I472 PolarHBondContact O-N 2.66Å; M469-L473 HydrophobicContact CG-CD1 4.04Å; M469-L473 HydrophobicContact CG-CG 4.49Å; M469-L473 WeakPolarHBondContact O-CG 3.39Å; M469-L473 PolarHBondContact O-N 2.8Å; M469-F489 HydrophobicContact SD-CE1 3.55Å; M469-F489 VanDerWaalsContact SD-CE1 3.55Å; M469-F489 HydrophobicContact SD-CZ 3.91Å; M469-Y527 HydrophobicContact CE-CE1 3.79Å; M469-Y527 HydrophobicContact SD-CE1 4.14Å
470D68.8Low80.8Confident91 Ų9154.4 Ų54.449%0.48728%0.277SS..Hα-helixtrans-63.5-41.4178.3-64.1-45.4000112.5S468 I472 A474S468-D470 PolarHBondContact O-N 2.85Å; S468-D470 VanDerWaalsContact O-N 3.13Å; D470-I472 VanDerWaalsContact C-N 3.34Å; D470-A474 VanDerWaalsContact O-CB 3.28Å; D470-A474 WeakPolarHBondContact O-CB 3.4Å; D470-A474 PolarHBondContact O-N 2.71Å
471K77.5Confident81.1Confident138 Ų13849.9 Ų49.960%0.626%0.257SS*.Hα-helixtrans-66.1-37.8175.9-96.3-175.3176.1177.20111.8L462 A467 S468 A474 N475L462-K471 HydrophobicContact CD2-CB 4.21Å; A467-K471 HydrophobicContact CB-CB 4.3Å; S468-K471 WeakPolarHBondContact O-CB 3.24Å; S468-K471 PolarHBondContact O-N 3.18Å; K471-A474 PolarHBondContact O-N 3.46Å; K471-N475 PolarHBondContact O-N 2.83Å
472I80.6Confident80.9Confident0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-66.3-47.8179.1-63.4171.9000110.3L462 V464 A467 S468 M469 D470 A474 N475 I478 F489 Y527L462-I472 HydrophobicContact CD2-CG1 4.22Å; V464-I472 HydrophobicContact CB-CD1 3.82Å; V464-I472 HydrophobicContact CB-CG1 4.3Å; V464-I472 HydrophobicContact CG1-CD1 4.06Å; V464-I472 HydrophobicContact CG1-CG1 4.07Å; V464-I472 HydrophobicContact CG1-CG2 4.32Å; A467-I472 HydrophobicContact CB-CD1 4.17Å; A467-I472 HydrophobicContact CB-CG1 3.75Å; S468-I472 WeakPolarHBondContact O-CG1 3.49Å; S468-I472 PolarHBondContact O-N 3.15Å; S468-I472 VanDerWaalsContact O-N 3.15Å; M469-I472 PolarHBondContact O-N 2.66Å; D470-I472 VanDerWaalsContact C-N 3.34Å; I472-A474 VanDerWaalsContact C-N 3.28Å; I472-A474 PolarHBondContact O-N 2.86Å; I472-N475 WeakPolarHBondContact O-CB 3.45Å; I472-N475 PolarHBondContact O-N 2.93Å; I472-N475 VanDerWaalsContact O-N 3.14Å; I472-I478 HydrophobicContact CG2-CD1 3.98Å; I472-I478 HydrophobicContact CG2-CG2 4.13Å; I472-F489 HydrophobicContact CG2-CE2 4.38Å; I472-F489 HydrophobicContact CG2-CZ 4.03Å; I472-Y527 HydrophobicContact CD1-CE1 4.15Å; I472-Y527 HydrophobicContact CD1-CE2 3.91Å; I472-Y527 VanDerWaalsContact CD1-CZ 3.44Å; I472-Y527 WeakPolarHBondContact CD1-OH 3.48Å
473L74Confident80.6Confident49 Ų4951.2 Ų51.226%0.25727%0.267SS..Hα-helixtrans-66.3-28.8177.9-72.9172.3000113.2M469 N475 F489M469-L473 HydrophobicContact CG-CD1 4.04Å; M469-L473 HydrophobicContact CG-CG 4.49Å; M469-L473 WeakPolarHBondContact O-CG 3.39Å; M469-L473 PolarHBondContact O-N 2.8Å; L473-N475 VanDerWaalsContact C-N 3.31Å; L473-F489 HydrophobicContact CD2-CD1 3.72Å; L473-F489 HydrophobicContact CD2-CD2 4.26Å; L473-F489 HydrophobicContact CD2-CE1 3.47Å; L473-F489 VanDerWaalsContact CD2-CE1 3.47Å; L473-F489 HydrophobicContact CD2-CE2 4.03Å; L473-F489 HydrophobicContact CD2-CG 4.12Å; L473-F489 HydrophobicContact CD2-CZ 3.64Å; L473-F489 HydrophobicContact CG-CE1 4.07Å; L473-F489 HydrophobicContact CG-CZ 4.19Å
474A77.8Confident80.5Confident83 Ų8349.8 Ų49.869%0.68626%0.259SS*.Hα-helixtrans-78.1-13.9175.200000113.5D470 K471 I472 E476D470-A474 VanDerWaalsContact O-CB 3.28Å; D470-A474 WeakPolarHBondContact O-CB 3.4Å; D470-A474 PolarHBondContact O-N 2.71Å; K471-A474 PolarHBondContact O-N 3.46Å; I472-A474 VanDerWaalsContact C-N 3.28Å; I472-A474 PolarHBondContact O-N 2.86Å; A474-E476 PolarHBondContact O-N 3.41Å
475N82.9Confident80.3Confident36 Ų3649.6 Ų49.619%0.19326%0.258CS..  trans-76.6120.9-179-173-76.2000111L462 K471 I472 L473 E477 I478 R479L462-N475 HydrophobicContact CD2-CB 4.38Å; K471-N475 PolarHBondContact O-N 2.83Å; I472-N475 WeakPolarHBondContact O-CB 3.45Å; I472-N475 PolarHBondContact O-N 2.93Å; I472-N475 VanDerWaalsContact O-N 3.14Å; L473-N475 VanDerWaalsContact C-N 3.31Å; N475-E477 PolarHBondContact O-N 2.92Å; N475-E477 WeakPolarHBondContact OD1-CB 3.45Å; N475-E477 PolarHBondContact OD1-N 2.88Å; N475-I478 HydrophobicContact CB-CB 4.24Å; N475-I478 HydrophobicContact CB-CD1 4.03Å; N475-I478 HydrophobicContact CB-CG1 4.18Å; N475-I478 PolarHBondContact OD1-N 3.04Å; N475-I478 VanDerWaalsContact OD1-N 3.1Å; N475-R479 WeakPolarHBondContact O-CB 3.46Å; N475-R479 PolarHBondContact O-N 2.79Å; N475-R479 VanDerWaalsContact O-N 3.08Å
476E83.3Confident80.1Confident124 Ų12450 Ų5058%0.57927%0.271SS*.Hα-helixtrans-66.1-36.2-175.2-170.6175.5-174.500113.2A474 S480A474-E476 PolarHBondContact O-N 3.41Å; E476-S480 WeakPolarHBondContact O-CB 3.36Å; E476-S480 PolarHBondContact O-N 2.88Å; E476-S480 PolarHBondContact O-OG 3.3Å
477E85.7Confident80.3Confident25 Ų2545.8 Ų45.812%0.11725%0.253CS..Hα-helixtrans-66.8-48.5-179.4-59.7-60.5112.500111K417 I457 R458 N475 S480 L481K417-E477 IonicContact NZ-OE1 3.6Å; K417-E477 PolarHBondContact NZ-OE1 2.74Å; K417-E477 IonicContact NZ-OE2 3.86Å; K417-E477 PolarHBondContact NZ-OE2 3.43Å; I457-E477 VanDerWaalsContact CA-OE2 3.24Å; I457-E477 WeakPolarHBondContact CA-OE2 3.31Å; I457-E477 HydrophobicContact CG2-CG 4.33Å; I457-E477 WeakPolarHBondContact CG2-OE2 3.26Å; R458-E477 PolarHBondContact N-OE2 3.2Å; R458-E477 VanDerWaalsContact N-OE2 3.15Å; N475-E477 PolarHBondContact O-N 2.92Å; N475-E477 WeakPolarHBondContact OD1-CB 3.45Å; N475-E477 PolarHBondContact OD1-N 2.88Å; E477-S480 PolarHBondContact O-N 2.88Å; E477-L481 PolarHBondContact O-N 2.74Å; E477-L481 VanDerWaalsContact O-N 3.09Å
478I86.5Confident80.1Confident2 Ų246.6 Ų46.61%0.0126%0.263CS..Hα-helixtrans-60.9-48.4177-64.3178.8000110.2I461 L462 V464 I472 N475 S480 L481 F482 L523I461-I478 HydrophobicContact CG2-CD1 4.41Å; I461-I478 HydrophobicContact CG2-CG1 4.16Å; L462-I478 HydrophobicContact CB-CD1 4.27Å; V464-I478 HydrophobicContact CG1-CD1 3.74Å; I472-I478 HydrophobicContact CG2-CD1 3.98Å; I472-I478 HydrophobicContact CG2-CG2 4.13Å; N475-I478 HydrophobicContact CB-CB 4.24Å; N475-I478 HydrophobicContact CB-CD1 4.03Å; N475-I478 HydrophobicContact CB-CG1 4.18Å; N475-I478 PolarHBondContact OD1-N 3.04Å; N475-I478 VanDerWaalsContact OD1-N 3.1Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.86Å; I478-L481 WeakPolarHBondContact O-CB 3.34Å; I478-L481 PolarHBondContact O-N 3.07Å; I478-L481 VanDerWaalsContact O-N 3.16Å; I478-F482 HydrophobicContact CG2-CD2 3.66Å; I478-F482 HydrophobicContact CG2-CE2 3.56Å; I478-F482 VanDerWaalsContact O-CD2 3.29Å; I478-F482 WeakPolarHBondContact O-CD2 3.49Å; I478-F482 PolarHBondContact O-N 3.05Å; I478-L523 HydrophobicContact CD1-CD1 4.25Å; I478-L523 HydrophobicContact CG1-CD1 4.43Å; I478-L523 HydrophobicContact CG1-CD2 4.18Å; I478-L523 HydrophobicContact CG2-CD1 4.09Å; I478-L523 HydrophobicContact CG2-CD2 4.47Å
479R82.4Confident79.8Confident133 Ų13345.3 Ų45.350%0.50225%0.25SS..Hα-helixtrans-58.7-43.8178.5-173.6-178.461.4158.3-0.4111.8N475 L481 F482 T483N475-R479 WeakPolarHBondContact O-CB 3.46Å; N475-R479 PolarHBondContact O-N 2.79Å; N475-R479 VanDerWaalsContact O-N 3.08Å; R479-L481 VanDerWaalsContact C-N 3.29Å; R479-L481 PolarHBondContact O-N 2.71Å; R479-F482 PolarHBondContact O-N 2.8Å; R479-T483 WeakPolarHBondContact O-CB 3.37Å; R479-T483 PolarHBondContact O-N 2.98Å; R479-T483 PolarHBondContact O-OG1 3.4Å
480S84Confident79.5Confident12 Ų1243.7 Ų43.78%0.08425%0.251CS..Hα-helixtrans-60.1-39.8177.9-60.50000112.2P415 K417 E476 E477 I478 T483 A484P415-S480 VanDerWaalsContact CG-O 3.31Å; P415-S480 WeakPolarHBondContact CG-O 3.44Å; K417-S480 VanDerWaalsContact CE-OG 3.31Å; K417-S480 WeakPolarHBondContact CE-OG 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.36Å; E476-S480 PolarHBondContact O-N 2.88Å; E476-S480 PolarHBondContact O-OG 3.3Å; E477-S480 PolarHBondContact O-N 2.88Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.86Å; S480-T483 PolarHBondContact O-N 3.42Å; S480-A484 WeakPolarHBondContact O-CB 3.41Å; S480-A484 PolarHBondContact O-N 3.13Å
481L87.1Confident79.1Confident2 Ų243.4 Ų43.41%0.0126%0.261CS..Hα-helixtrans-64.5-49.7177-174.167.2000111.7L431 I433 L455 E477 I478 R479 T483 A484 M485 L520 L523 F524L431-L481 HydrophobicContact CD2-CD1 4.27Å; I433-L481 HydrophobicContact CD1-CD1 3.66Å; I433-L481 HydrophobicContact CG1-CD1 4.15Å; L455-L481 HydrophobicContact CD2-CB 4.17Å; L455-L481 HydrophobicContact CD2-CD1 3.56Å; L455-L481 HydrophobicContact CD2-CG 4.49Å; E477-L481 PolarHBondContact O-N 2.74Å; E477-L481 VanDerWaalsContact O-N 3.09Å; I478-L481 WeakPolarHBondContact O-CB 3.34Å; I478-L481 PolarHBondContact O-N 3.07Å; I478-L481 VanDerWaalsContact O-N 3.16Å; R479-L481 VanDerWaalsContact C-N 3.29Å; R479-L481 PolarHBondContact O-N 2.71Å; L481-T483 VanDerWaalsContact C-N 3.31Å; L481-T483 PolarHBondContact O-N 3.22Å; L481-A484 PolarHBondContact O-N 2.79Å; L481-M485 WeakPolarHBondContact O-CB 3.21Å; L481-M485 WeakPolarHBondContact O-CG 3.41Å; L481-M485 PolarHBondContact O-N 2.91Å; L481-L520 HydrophobicContact CD2-CD2 4.41Å; L481-L523 HydrophobicContact CD2-CD2 3.69Å; L481-F524 HydrophobicContact CD2-CE1 3.67Å; L481-F524 HydrophobicContact CD2-CZ 4.09Å
482F83.4Confident78.6Confident15 Ų1542.2 Ų42.27%0.06626%0.261CS..Hα-helixtrans-60.8-38.9176.2-82.1-76.8000112.8I478 R479 M485 G486 G488 F489 F493 L523 M528I478-F482 HydrophobicContact CG2-CD2 3.66Å; I478-F482 HydrophobicContact CG2-CE2 3.56Å; I478-F482 VanDerWaalsContact O-CD2 3.29Å; I478-F482 WeakPolarHBondContact O-CD2 3.49Å; I478-F482 PolarHBondContact O-N 3.05Å; R479-F482 PolarHBondContact O-N 2.8Å; F482-M485 PolarHBondContact O-N 3.4Å; F482-G486 PolarHBondContact O-N 3.45Å; F482-G488 WeakPolarHBondContact CD1-O 3.38Å; F482-F489 HydrophobicContact CD1-CB 4.5Å; F482-F489 AromaticContact CD1-CD2 3.85Å; F482-F489 HydrophobicContact CD1-CD2 3.85Å; F482-F489 AromaticContact CD2-CD2 3.54Å; F482-F489 HydrophobicContact CD2-CD2 3.54Å; F482-F489 AromaticContact CD2-CE2 3.77Å; F482-F489 HydrophobicContact CD2-CE2 3.77Å; F482-F489 AromaticContact CE1-CD2 3.7Å; F482-F489 HydrophobicContact CE1-CD2 3.7Å; F482-F489 HydrophobicContact CE1-CE2 4.29Å; F482-F489 HydrophobicContact CE1-CG 4.5Å; F482-F489 AromaticContact CE2-CD2 3.43Å; F482-F489 HydrophobicContact CE2-CD2 3.43Å; F482-F489 VanDerWaalsContact CE2-CD2 3.43Å; F482-F489 AromaticContact CE2-CE2 3.32Å; F482-F489 HydrophobicContact CE2-CE2 3.32Å; F482-F489 AromaticContact CG-CD2 3.77Å; F482-F489 HydrophobicContact CG-CD2 3.77Å; F482-F489 HydrophobicContact CG-CE2 4.45Å; F482-F489 AromaticContact CZ-CD2 3.5Å; F482-F489 HydrophobicContact CZ-CD2 3.5Å; F482-F489 AromaticContact CZ-CE2 3.61Å; F482-F489 HydrophobicContact CZ-CE2 3.61Å; F482-F493 HydrophobicContact CE1-CD2 4.21Å; F482-F493 HydrophobicContact CE1-CE2 4.24Å; F482-L523 HydrophobicContact CE2-CD1 4.36Å; F482-M528 HydrophobicContact CD1-CE 3.78Å; F482-M528 HydrophobicContact CD1-SD 4.4Å; F482-M528 HydrophobicContact CE1-CE 3.6Å; F482-M528 HydrophobicContact CE1-CG 3.7Å; F482-M528 HydrophobicContact CE1-SD 3.79Å; F482-M528 HydrophobicContact CE2-SD 4.48Å; F482-M528 HydrophobicContact CZ-CE 4.24Å; F482-M528 HydrophobicContact CZ-CG 3.71Å; F482-M528 HydrophobicContact CZ-SD 3.82Å
483T81.6Confident78.4Confident71 Ų7143.9 Ų43.944%0.43627%0.268SS..Hα-helixtrans-66.8-41.7176.2-58.10000112.1P415 R479 S480 L481 M485P415-T483 HydrophobicContact CG-CG2 4.31Å; R479-T483 WeakPolarHBondContact O-CB 3.37Å; R479-T483 PolarHBondContact O-N 2.98Å; R479-T483 PolarHBondContact O-OG1 3.4Å; S480-T483 PolarHBondContact O-N 3.42Å; L481-T483 VanDerWaalsContact C-N 3.31Å; L481-T483 PolarHBondContact O-N 3.22Å; T483-M485 VanDerWaalsContact C-N 3.27Å; T483-M485 PolarHBondContact O-N 3.32Å
484A85.3Confident78.6Confident1 Ų143.8 Ų43.81%0.00827%0.268CS..Hα-helixtrans-60.8-40.5175.800000111.6P415 L418 S480 L481 Y500P415-A484 HydrophobicContact CG-CB 4.34Å; L418-A484 HydrophobicContact CD1-CB 4.11Å; L418-A484 HydrophobicContact CD2-CB 3.94Å; S480-A484 WeakPolarHBondContact O-CB 3.41Å; S480-A484 PolarHBondContact O-N 3.13Å; L481-A484 PolarHBondContact O-N 2.79Å; A484-Y500 VanDerWaalsContact O-CE2 3.32Å; A484-Y500 WeakPolarHBondContact O-CE2 3.47Å
485M83.9Confident78.9Confident0 Ų042 Ų420%025%0.249CC..Hα-helixtrans-70.9-32.5-175.6-74.9-81.8-69.700115.3L431 L481 F482 T483 T487 R499 L503 M528 I531L431-M485 HydrophobicContact CD2-SD 4.33Å; L481-M485 WeakPolarHBondContact O-CB 3.21Å; L481-M485 WeakPolarHBondContact O-CG 3.41Å; L481-M485 PolarHBondContact O-N 2.91Å; F482-M485 PolarHBondContact O-N 3.4Å; T483-M485 VanDerWaalsContact C-N 3.27Å; T483-M485 PolarHBondContact O-N 3.32Å; M485-T487 HydrophobicContact CB-CG2 4.39Å; M485-T487 HydrophobicContact CE-CG2 4.05Å; M485-T487 PolarHBondContact O-N 3Å; M485-R499 WeakPolarHBondContact O-CB 3.43Å; M485-R499 PolarHBondContact O-N 3.07Å; M485-L503 HydrophobicContact CE-CD1 3.97Å; M485-L503 HydrophobicContact CE-CD2 3.85Å; M485-L503 HydrophobicContact CE-CG 4.37Å; M485-L503 HydrophobicContact SD-CD1 3.91Å; M485-L503 HydrophobicContact SD-CD2 3.53Å; M485-L503 VanDerWaalsContact SD-CD2 3.53Å; M485-L503 HydrophobicContact SD-CG 3.84Å; M485-M528 HydrophobicContact CB-CE 4.4Å; M485-M528 HydrophobicContact CE-CE 3.37Å; M485-M528 HydrophobicContact CG-CE 4.1Å; M485-I531 HydrophobicContact CE-CD1 3.01Å; M485-I531 HydrophobicContact CE-CG1 4.44Å
486G79.8Confident78.8Confident42 Ų4245 Ų4543%0.43327%0.273SS..  trans72.94.9-178.300000115.6F482 G488F482-G486 PolarHBondContact O-N 3.45Å; G486-G488 PolarHBondContact O-N 2.89Å
487T79.9Confident78.9Confident1 Ų145.1 Ų45.11%0.00627%0.271CS..  trans-80.1-13.6-174.353.60000114.7M485 F493 D494 A498 I531M485-T487 HydrophobicContact CB-CG2 4.39Å; M485-T487 HydrophobicContact CE-CG2 4.05Å; M485-T487 PolarHBondContact O-N 3Å; T487-F493 HydrophobicContact CG2-CE2 4.44Å; T487-F493 CarbonylContact O-C 3.44Å; T487-F493 VanDerWaalsContact O-CA 3.29Å; T487-F493 WeakPolarHBondContact O-CA 3.49Å; T487-F493 VanDerWaalsContact OG1-CE2 3.28Å; T487-F493 WeakPolarHBondContact OG1-CE2 3.33Å; T487-D494 PolarHBondContact O-N 3.22Å; T487-A498 VanDerWaalsContact CG2-CA 3.49Å; T487-A498 HydrophobicContact CG2-CB 3.66Å; T487-I531 HydrophobicContact CG2-CD1 4.26Å
488G71.7Confident78.9Confident32 Ų3244.1 Ų44.133%0.3327%0.267SS..  trans82.5-173.9-170.600000112.7F482 G486F482-G488 WeakPolarHBondContact CD1-O 3.38Å; G486-G488 PolarHBondContact O-N 2.89Å
489F68.2Low78.9Confident27 Ų2746.7 Ų46.712%0.11828%0.277CS..SBendtrans-137.6133-172.3-170.5-82.4000112.4R400 M469 I472 L473 F482 A491 D492 Y527R400-F489 PolarHBondContact NH1-O 3.37Å; M469-F489 HydrophobicContact SD-CE1 3.55Å; M469-F489 VanDerWaalsContact SD-CE1 3.55Å; M469-F489 HydrophobicContact SD-CZ 3.91Å; I472-F489 HydrophobicContact CG2-CE2 4.38Å; I472-F489 HydrophobicContact CG2-CZ 4.03Å; L473-F489 HydrophobicContact CD2-CD1 3.72Å; L473-F489 HydrophobicContact CD2-CD2 4.26Å; L473-F489 HydrophobicContact CD2-CE1 3.47Å; L473-F489 VanDerWaalsContact CD2-CE1 3.47Å; L473-F489 HydrophobicContact CD2-CE2 4.03Å; L473-F489 HydrophobicContact CD2-CG 4.12Å; L473-F489 HydrophobicContact CD2-CZ 3.64Å; L473-F489 HydrophobicContact CG-CE1 4.07Å; L473-F489 HydrophobicContact CG-CZ 4.19Å; F482-F489 HydrophobicContact CD1-CB 4.5Å; F482-F489 AromaticContact CD1-CD2 3.85Å; F482-F489 HydrophobicContact CD1-CD2 3.85Å; F482-F489 AromaticContact CD2-CD2 3.54Å; F482-F489 HydrophobicContact CD2-CD2 3.54Å; F482-F489 AromaticContact CD2-CE2 3.77Å; F482-F489 HydrophobicContact CD2-CE2 3.77Å; F482-F489 AromaticContact CE1-CD2 3.7Å; F482-F489 HydrophobicContact CE1-CD2 3.7Å; F482-F489 HydrophobicContact CE1-CE2 4.29Å; F482-F489 HydrophobicContact CE1-CG 4.5Å; F482-F489 AromaticContact CE2-CD2 3.43Å; F482-F489 HydrophobicContact CE2-CD2 3.43Å; F482-F489 VanDerWaalsContact CE2-CD2 3.43Å; F482-F489 AromaticContact CE2-CE2 3.32Å; F482-F489 HydrophobicContact CE2-CE2 3.32Å; F482-F489 AromaticContact CG-CD2 3.77Å; F482-F489 HydrophobicContact CG-CD2 3.77Å; F482-F489 HydrophobicContact CG-CE2 4.45Å; F482-F489 AromaticContact CZ-CD2 3.5Å; F482-F489 HydrophobicContact CZ-CD2 3.5Å; F482-F489 AromaticContact CZ-CE2 3.61Å; F482-F489 HydrophobicContact CZ-CE2 3.61Å; F489-A491 PolarHBondContact O-N 2.9Å; F489-D492 PolarHBondContact O-N 2.83Å; F489-Y527 HydrophobicContact CZ-CD1 4.26Å
490G65.1Low79.3Confident33 Ų3340.4 Ų40.434%0.3425%0.253SS..G310 helixtrans61.6-124.6179.300000112.1D492 F493G490-D492 PolarHBondContact O-N 3.18Å; G490-F493 WeakPolarHBondContact O-CB 3.4Å; G490-F493 PolarHBondContact O-N 2.82Å
491A60.2Low79.6Confident86 Ų8642 Ų4271%0.71126%0.259SS*.G310 helixtrans-62.7-20.6-179.800000115.2F489 F493F489-A491 PolarHBondContact O-N 2.9Å; A491-F493 VanDerWaalsContact C-N 3.29Å
492D66.5Low79.9Confident112 Ų11243.9 Ų43.960%0.59927%0.267SS*.G310 helixtrans-89.44.2175.5-60.2-50000112.3R400 F489 G490 D494R400-D492 IonicContact NH1-OD2 3.35Å; F489-D492 PolarHBondContact O-N 2.83Å; G490-D492 PolarHBondContact O-N 3.18Å; D492-D494 PolarHBondContact O-N 3.38Å
493F76.7Confident80.4Confident35 Ų3543.2 Ų43.215%0.15426%0.264CS..  trans-70.7124.6-177.8-173.7-87.5000111F482 T487 G490 A491 M528 P530 I531F482-F493 HydrophobicContact CE1-CD2 4.21Å; F482-F493 HydrophobicContact CE1-CE2 4.24Å; T487-F493 HydrophobicContact CG2-CE2 4.44Å; T487-F493 CarbonylContact O-C 3.44Å; T487-F493 VanDerWaalsContact O-CA 3.29Å; T487-F493 WeakPolarHBondContact O-CA 3.49Å; T487-F493 VanDerWaalsContact OG1-CE2 3.28Å; T487-F493 WeakPolarHBondContact OG1-CE2 3.33Å; G490-F493 WeakPolarHBondContact O-CB 3.4Å; G490-F493 PolarHBondContact O-N 2.82Å; A491-F493 VanDerWaalsContact C-N 3.29Å; F493-M528 HydrophobicContact CE2-CB 3.76Å; F493-M528 HydrophobicContact CE2-CE 3.69Å; F493-M528 HydrophobicContact CE2-CG 3.67Å; F493-M528 HydrophobicContact CZ-CB 3.67Å; F493-M528 HydrophobicContact CZ-CE 4.37Å; F493-M528 HydrophobicContact CZ-CG 4.13Å; F493-P530 HydrophobicContact CD1-CG 4.22Å; F493-P530 HydrophobicContact CE1-CB 4.08Å; F493-P530 HydrophobicContact CE1-CG 3.95Å; F493-I531 HydrophobicContact CE1-CD1 4.49Å; F493-I531 HydrophobicContact CE1-CG1 4.26Å; F493-I531 HydrophobicContact CE2-CD1 4.17Å; F493-I531 HydrophobicContact CZ-CD1 3.51Å; F493-I531 HydrophobicContact CZ-CG1 3.69Å
494D78.1Confident81Confident47 Ų4739.8 Ų39.825%0.25124%0.243SC..  trans-137.9108.8-175.9-175.9-6.7000109.5T487 D492 S496 K497T487-D494 PolarHBondContact O-N 3.22Å; D492-D494 PolarHBondContact O-N 3.38Å; D494-S496 VanDerWaalsContact CG-OG 3.27Å; D494-S496 PolarHBondContact O-N 3.3Å; D494-S496 WeakPolarHBondContact OD1-CB 3.43Å; D494-S496 PolarHBondContact OD1-N 2.86Å; D494-S496 PolarHBondContact OD1-OG 2.69Å; D494-S496 PolarHBondContact OD2-OG 2.82Å; D494-K497 HydrophobicContact CB-CD 4.08Å; D494-K497 HydrophobicContact CB-CG 4.26Å; D494-K497 PolarHBondContact O-N 2.96Å; D494-K497 WeakPolarHBondContact OD2-CE 3.21Å; D494-K497 IonicContact OD2-NZ 3.48Å; D494-K497 PolarHBondContact OD2-NZ 2.91Å
495V84.5Confident81.3Confident46 Ų4639.8 Ų39.828%0.27924%0.243SC..G310 helixtrans-64.2-27.6-179.268.70000112.1K497 A498 P530 I531 A534 Y536V495-K497 PolarHBondContact O-N 3.13Å; V495-A498 WeakPolarHBondContact O-CB 3.05Å; V495-A498 PolarHBondContact O-N 2.84Å; V495-P530 HydrophobicContact CB-CB 4.19Å; V495-P530 HydrophobicContact CG1-CB 4.46Å; V495-I531 HydrophobicContact CG2-CG1 3.96Å; V495-A534 HydrophobicContact CG2-CB 4.43Å; V495-Y536 HydrophobicContact CG2-CD2 4.47Å; V495-Y536 HydrophobicContact CG2-CE2 4.15Å
496S82.3Confident81.7Confident99 Ų9939.8 Ų39.869%0.69224%0.243SC*.G310 helixtrans-68.6-15.4178.973.90000113.4D494D494-S496 VanDerWaalsContact CG-OG 3.27Å; D494-S496 PolarHBondContact O-N 3.3Å; D494-S496 WeakPolarHBondContact OD1-CB 3.43Å; D494-S496 PolarHBondContact OD1-N 2.86Å; D494-S496 PolarHBondContact OD1-OG 2.69Å; D494-S496 PolarHBondContact OD2-OG 2.82Å
497K83.7Confident82.1Confident127 Ų12738.4 Ų38.455%0.55223%0.226SC*.G310 helixtrans-95.43.6174.7-64.2178.5-172.9133.10113D494 V495 R499D494-K497 HydrophobicContact CB-CD 4.08Å; D494-K497 HydrophobicContact CB-CG 4.26Å; D494-K497 PolarHBondContact O-N 2.96Å; D494-K497 WeakPolarHBondContact OD2-CE 3.21Å; D494-K497 IonicContact OD2-NZ 3.48Å; D494-K497 PolarHBondContact OD2-NZ 2.91Å; V495-K497 PolarHBondContact O-N 3.13Å; K497-R499 PolarHBondContact O-N 2.61Å
498A85.9Confident82.2Confident3 Ų339.9 Ų39.93%0.02523%0.234CC..  trans-60124.1179.100000110P426 T487 V495 Y500P426-A498 WeakPolarHBondContact CB-O 3.25Å; T487-A498 VanDerWaalsContact CG2-CA 3.49Å; T487-A498 HydrophobicContact CG2-CB 3.66Å; V495-A498 WeakPolarHBondContact O-CB 3.05Å; V495-A498 PolarHBondContact O-N 2.84Å; A498-Y500 VanDerWaalsContact C-N 3.3Å
499R87Confident82.2Confident57 Ų5741.2 Ų41.222%0.21524%0.242CC..SBendtrans-74.2-22.1179.8-173164.5-174.3-123.9-3.9113.6D420 P426 M485 K497D420-R499 IonicContact OD1-CZ 3.56Å; D420-R499 IonicContact OD1-NH1 3.49Å; D420-R499 PolarHBondContact OD1-NH1 3.13Å; D420-R499 IonicContact OD1-NH2 2.74Å; D420-R499 PolarHBondContact OD1-NH2 3.41Å; D420-R499 IonicContact OD2-CZ 3.02Å; D420-R499 IonicContact OD2-NH1 2.69Å; D420-R499 PolarHBondContact OD2-NH1 3.46Å; D420-R499 IonicContact OD2-NH2 2.61Å; D420-R499 PolarHBondContact OD2-NH2 3.12Å; P426-R499 WeakPolarHBondContact CA-O 3.3Å; M485-R499 WeakPolarHBondContact O-CB 3.43Å; M485-R499 PolarHBondContact O-N 3.07Å; K497-R499 PolarHBondContact O-N 2.61Å
500Y90.7Very high82.3Confident0 Ų042.9 Ų42.90%025%0.252CS..  trans-132.4122.5-176.8-48.7-84.5000109D420 C429 L431 A453 A484 A498 K502D420-Y500 PolarHBondContact OD1-OH 3.22Å; C429-Y500 HydrophobicContact CB-CD1 3.66Å; C429-Y500 HydrophobicContact CB-CE1 4.28Å; C429-Y500 WeakPolarHBondContact O-CA 3.37Å; L431-Y500 HydrophobicContact CB-CD1 4.01Å; L431-Y500 HydrophobicContact CB-CD2 3.8Å; L431-Y500 HydrophobicContact CB-CE1 4.49Å; L431-Y500 HydrophobicContact CB-CE2 4.25Å; L431-Y500 HydrophobicContact CB-CG 3.68Å; L431-Y500 HydrophobicContact CD1-CE2 4.26Å; L431-Y500 HydrophobicContact CD2-CD2 4.01Å; L431-Y500 HydrophobicContact CD2-CE2 4.17Å; L431-Y500 HydrophobicContact CG-CD2 4.36Å; L431-Y500 HydrophobicContact CG-CE2 4.47Å; A453-Y500 HydrophobicContact CB-CD1 4.39Å; A453-Y500 HydrophobicContact CB-CE1 3.52Å; A484-Y500 VanDerWaalsContact O-CE2 3.32Å; A484-Y500 WeakPolarHBondContact O-CE2 3.47Å; A498-Y500 VanDerWaalsContact C-N 3.3Å; Y500-K502 VanDerWaalsContact C-N 3.33Å
501H91Very high82.4Confident45 Ų4543.1 Ų43.121%0.20825%0.247CC..SBendtrans-83.7-8.8174.1-72.4-169.2000112.8P426 E427 C429 Y536P426-H501 WeakPolarHBondContact CB-NE2 3.5Å; P426-H501 VanDerWaalsContact O-CB 3.28Å; P426-H501 WeakPolarHBondContact O-CB 3.46Å; P426-H501 VanDerWaalsContact O-CG 3.31Å; P426-H501 PolarHBondContact O-N 2.94Å; E427-H501 WeakPolarHBondContact CA-ND1 3.36Å; C429-H501 PolarHBondContact O-N 3.38Å; H501-Y536 HydrophobicContact CB-CD1 4.24Å; H501-Y536 HydrophobicContact CB-CD2 4.5Å; H501-Y536 HydrophobicContact CB-CE1 4.07Å; H501-Y536 HydrophobicContact CB-CE2 4.33Å; H501-Y536 HydrophobicContact CB-CG 4.47Å; H501-Y536 AromaticContact CD2-CE2 3.65Å; H501-Y536 AromaticContact CD2-CZ 3.78Å; H501-Y536 PolarHBondContact CE1-OH 3.04Å; H501-Y536 AromaticContact CG-CE2 3.93Å; H501-Y536 AromaticContact CG-CZ 3.67Å; H501-Y536 AromaticContact ND1-CZ 3.87Å; H501-Y536 VanDerWaalsContact O-CA 3.3Å; H501-Y536 WeakPolarHBondContact O-CA 3.27Å; H501-Y536 VanDerWaalsContact O-CB 3.22Å; H501-Y536 WeakPolarHBondContact O-CB 3.29Å; H501-Y536 WeakPolarHBondContact O-CD1 3.42Å
502K91.6Very high83.2Confident43 Ų4340.4 Ų40.419%0.18722%0.221CC..EExtended strand (participates in β ladder)trans-123.3107.3169.2-51.3-159.1-16381.80111.2C429 E430 L431 Y500 V504 Y538C429-K502 PolarHBondContact O-N 2.87Å; E430-K502 CarbonylContact C-O 3.48Å; E430-K502 VanDerWaalsContact CA-O 3.29Å; E430-K502 WeakPolarHBondContact CA-O 3.41Å; E430-K502 HydrophobicContact CB-CB 4.21Å; E430-K502 HydrophobicContact CG-CB 4.01Å; E430-K502 HydrophobicContact CG-CD 4.24Å; E430-K502 HydrophobicContact CG-CG 4.29Å; E430-K502 IonicContact OE1-NZ 2.84Å; E430-K502 PolarHBondContact OE1-NZ 3.38Å; L431-K502 PolarHBondContact N-O 3.14Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; K502-V504 HydrophobicContact CB-CG2 4.42Å; K502-Y538 HydrophobicContact CB-CD2 3.88Å; K502-Y538 HydrophobicContact CB-CE2 3.83Å; K502-Y538 HydrophobicContact CD-CD2 4.47Å; K502-Y538 HydrophobicContact CD-CE2 4.08Å; K502-Y538 HydrophobicContact CG-CD2 4.26Å; K502-Y538 HydrophobicContact CG-CE2 3.74Å
503L94.1Very high83.9Confident0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-91.6112165.2-70.689.7000108.7I433 M485 F524 I531 Y536 Y538I433-L503 HydrophobicContact CD1-CD2 4.41Å; M485-L503 HydrophobicContact CE-CD1 3.97Å; M485-L503 HydrophobicContact CE-CD2 3.85Å; M485-L503 HydrophobicContact CE-CG 4.37Å; M485-L503 HydrophobicContact SD-CD1 3.91Å; M485-L503 HydrophobicContact SD-CD2 3.53Å; M485-L503 VanDerWaalsContact SD-CD2 3.53Å; M485-L503 HydrophobicContact SD-CG 3.84Å; L503-F524 HydrophobicContact CD2-CE1 3.77Å; L503-F524 HydrophobicContact CD2-CZ 3.77Å; L503-I531 HydrophobicContact CD1-CG2 3.69Å; L503-Y536 PolarHBondContact N-O 3.34Å; L503-Y538 PolarHBondContact O-N 2.91Å
504V94.1Very high84.1Confident0 Ų033.8 Ų33.80%019%0.188CC..EExtended strand (participates in β ladder)trans-105.5113-177.2-171.70000109.4L431 F432 I433 K502 M506 Y538 A540 M607L431-V504 PolarHBondContact O-N 2.85Å; F432-V504 CarbonylContact C-O 3.58Å; F432-V504 WeakPolarHBondContact CA-O 3.34Å; F432-V504 HydrophobicContact CD1-CB 3.87Å; F432-V504 HydrophobicContact CD1-CG1 3.83Å; F432-V504 HydrophobicContact CE1-CB 3.97Å; F432-V504 HydrophobicContact CE1-CG1 3.68Å; F432-V504 HydrophobicContact CE1-CG2 4.27Å; F432-V504 HydrophobicContact CE2-CG2 4.35Å; F432-V504 HydrophobicContact CG-CB 4.19Å; F432-V504 HydrophobicContact CZ-CB 4.34Å; F432-V504 HydrophobicContact CZ-CG1 4.35Å; F432-V504 HydrophobicContact CZ-CG2 4.17Å; I433-V504 PolarHBondContact N-O 3.28Å; K502-V504 HydrophobicContact CB-CG2 4.42Å; V504-M506 PolarHBondContact O-N 3.45Å; V504-Y538 CarbonylContact C-O 3.38Å; V504-Y538 WeakPolarHBondContact CA-O 3.44Å; V504-A540 HydrophobicContact CG1-CB 3.84Å; V504-M607 HydrophobicContact CG1-SD 4.49Å; V504-M607 HydrophobicContact CG2-SD 4.31Å
505I93.6Very high84.4Confident0 Ų032.7 Ų32.70%018%0.181CC..EExtended strand (participates in β ladder)trans-77.4117.5171.3-56.4175.3000107.8T507 R517 L520 L521 F524 V537 Y538 I539 A540I505-T507 HydrophobicContact CG2-CG2 3.89Å; I505-R517 HydrophobicContact CG2-CB 4.46Å; I505-R517 HydrophobicContact CG2-CG 4.38Å; I505-L520 HydrophobicContact CD1-CB 3.95Å; I505-L520 HydrophobicContact CD1-CD1 4.37Å; I505-L520 HydrophobicContact CG1-CD1 4.15Å; I505-L520 HydrophobicContact CG2-CD1 3.75Å; I505-L521 HydrophobicContact CD1-CD2 3.9Å; I505-L521 HydrophobicContact CD1-CG 4.17Å; I505-F524 HydrophobicContact CD1-CD2 4.35Å; I505-F524 HydrophobicContact CD1-CE2 3.93Å; I505-F524 HydrophobicContact CG1-CE2 4.12Å; I505-V537 HydrophobicContact CD1-CG1 4.28Å; I505-Y538 PolarHBondContact N-O 3.41Å; I505-I539 HydrophobicContact CD1-CG1 4.46Å; I505-A540 PolarHBondContact O-N 3.44Å
506M91.6Very high84.6Confident1 Ų130.8 Ų30.81%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-126.189.1-178.5-165.1176.672.400109.6F432 I433 V434 E435 A443 V504 A540 L587 L595 T599 M600F432-M506 HydrophobicContact CD1-CB 4.32Å; F432-M506 HydrophobicContact CD1-CE 4.44Å; F432-M506 HydrophobicContact CD1-SD 3.84Å; F432-M506 HydrophobicContact CE1-SD 4.27Å; I433-M506 PolarHBondContact O-N 2.75Å; V434-M506 WeakPolarHBondContact CA-O 3.43Å; V434-M506 HydrophobicContact CB-CE 4.36Å; V434-M506 HydrophobicContact CG1-CE 3.87Å; V434-M506 HydrophobicContact CG2-CE 3.54Å; E435-M506 PolarHBondContact N-O 3.41Å; A443-M506 HydrophobicContact CB-CE 3.67Å; V504-M506 PolarHBondContact O-N 3.45Å; M506-A540 HydrophobicContact CB-CB 4.04Å; M506-A540 HydrophobicContact CG-CB 3.82Å; M506-L587 HydrophobicContact CE-CD1 4.39Å; M506-L587 HydrophobicContact CG-CD1 3.73Å; M506-L587 HydrophobicContact CG-CD2 4.39Å; M506-L595 HydrophobicContact CE-CD2 4.33Å; M506-L595 HydrophobicContact SD-CD1 4.48Å; M506-T599 HydrophobicContact CG-CG2 4.48Å; M506-T599 HydrophobicContact SD-CG2 4.1Å; M506-M600 HydrophobicContact SD-CG 4.34Å
507T87.8Confident85Confident12 Ų1227.8 Ų27.87%0.07414%0.143CC..  trans-109.5162.1-178.7540000110.9I505 I516I505-T507 HydrophobicContact CG2-CG2 3.89Å; T507-I516 HydrophobicContact CG2-CB 4.09Å; T507-I516 HydrophobicContact CG2-CG2 3.8Å
508D81.1Confident85.3Confident32 Ų3221.8 Ų21.817%0.17112%0.117CC..  trans-63150.6175-72.2-11.3000110.9E435 D510 G586 L587E435-D508 PolarHBondContact OE2-N 3.26Å; D508-D510 PolarHBondContact O-N 3.4Å; D508-G586 VanDerWaalsContact CG-CA 3.43Å; D508-G586 WeakPolarHBondContact OD1-CA 3.38Å; D508-L587 WeakPolarHBondContact OD1-CB 3.42Å; D508-L587 VanDerWaalsContact OD1-CG 3.29Å; D508-L587 WeakPolarHBondContact OD1-CG 3.43Å; D508-L587 PolarHBondContact OD1-N 3.25Å
509A71.7Confident85.6Confident61 Ų6121.8 Ų21.850%0.50412%0.117SC..SBendtrans-80.745.3178.900000110.9K585A509-K585 PolarHBondContact N-O 3.23Å
510D70.9Confident85.8Confident61 Ų6119.1 Ų19.133%0.32611%0.107SC..SBendtrans-130-175.8-177.389.5-9000111.7D508 D512 G513 A514D508-D510 PolarHBondContact O-N 3.4Å; D510-D512 PolarHBondContact OD1-N 2.91Å; D510-G513 PolarHBondContact OD1-N 2.84Å; D510-A514 PolarHBondContact O-N 3.24Å; D510-A514 VanDerWaalsContact O-N 3.09Å
511V67.9Low85.9Confident39 Ų3919.2 Ų19.224%0.23611%0.107CC..Hα-helixtrans-67.3-38-175.1-155.60000112.5H515 Y665 S668V511-H515 PolarHBondContact O-N 3.48Å; V511-Y665 HydrophobicContact CG1-CD2 4.05Å; V511-Y665 WeakPolarHBondContact O-CD2 3.16Å; V511-S668 VanDerWaalsContact CG1-OG 3.3Å; V511-S668 WeakPolarHBondContact CG1-OG 3.33Å; V511-S668 WeakPolarHBondContact CG2-OG 3.5Å
512D77.2Confident85.9Confident29 Ų2917.1 Ų17.116%0.15510%0.097CC..Hα-helixtrans-80-33.2-175.8-76-57.1000110K460 D510 H515 I516 R673K460-D512 WeakPolarHBondContact CE-OD1 3.47Å; K460-D512 IonicContact NZ-OD1 2.8Å; K460-D512 PolarHBondContact NZ-OD1 2.63Å; D510-D512 PolarHBondContact OD1-N 2.91Å; D512-H515 WeakPolarHBondContact O-CB 3.47Å; D512-H515 PolarHBondContact O-N 3.32Å; D512-I516 WeakPolarHBondContact O-CG1 3.28Å; D512-I516 PolarHBondContact O-N 3.28Å; D512-R673 IonicContact OD1-NH1 2.7Å; D512-R673 IonicContact OD2-CZ 2.7Å; D512-R673 IonicContact OD2-NH1 2.9Å; D512-R673 IonicContact OD2-NH2 3.93Å; D512-R673 PolarHBondContact OD2-NH2 2.9Å
513G81.1Confident85.9Confident0 Ų015 Ų150%09%0.088CC..Hα-helixtrans-63.2-46.3169.600000113.5E435 D510 H515 I516 R517E435-G513 VanDerWaalsContact OE2-CA 3.32Å; E435-G513 WeakPolarHBondContact OE2-CA 3.46Å; D510-G513 PolarHBondContact OD1-N 2.84Å; G513-H515 PolarHBondContact O-N 2.71Å; G513-I516 PolarHBondContact O-N 3Å; G513-I516 VanDerWaalsContact O-N 3.15Å; G513-R517 WeakPolarHBondContact O-CB 3.34Å; G513-R517 PolarHBondContact O-N 3.36Å
514A81.3Confident85.7Confident8 Ų815 Ų157%0.0669%0.088CC..Hα-helixtrans-57.7-38173.300000112.1D510 R517 T518D510-A514 PolarHBondContact O-N 3.24Å; D510-A514 VanDerWaalsContact O-N 3.09Å; A514-R517 WeakPolarHBondContact O-CB 3.36Å; A514-R517 PolarHBondContact O-N 2.82Å; A514-T518 WeakPolarHBondContact O-CG2 3.27Å; A514-T518 PolarHBondContact O-N 3.08Å
515H84.4Confident85.5Confident24 Ų2415.1 Ų15.111%0.1119%0.088CC..Hα-helixtrans-67.4-44.9175-172.3-139.7000112.5K460 V511 D512 G513 R517 T518 L519 Y665K460-H515 WeakPolarHBondContact CD-ND1 3.19Å; V511-H515 PolarHBondContact O-N 3.48Å; D512-H515 WeakPolarHBondContact O-CB 3.47Å; D512-H515 PolarHBondContact O-N 3.32Å; G513-H515 PolarHBondContact O-N 2.71Å; H515-R517 VanDerWaalsContact C-N 3.26Å; H515-R517 PolarHBondContact O-N 3.32Å; H515-T518 PolarHBondContact O-N 3.01Å; H515-T518 PolarHBondContact O-OG1 3.14Å; H515-L519 WeakPolarHBondContact O-CG 3.48Å; H515-L519 PolarHBondContact O-N 2.85Å; H515-Y665 HydrophobicContact CB-CD1 4.27Å; H515-Y665 HydrophobicContact CB-CD2 3.49Å; H515-Y665 VanDerWaalsContact CB-CD2 3.49Å; H515-Y665 HydrophobicContact CB-CE1 4.47Å; H515-Y665 HydrophobicContact CB-CE2 3.74Å; H515-Y665 HydrophobicContact CB-CG 3.77Å; H515-Y665 AromaticContact CD2-CD1 3.67Å; H515-Y665 AromaticContact CD2-CE1 3.4Å; H515-Y665 VanDerWaalsContact CD2-CE1 3.4Å; H515-Y665 WeakPolarHBondContact CD2-CE1 3.25Å; H515-Y665 AromaticContact CD2-CZ 3.62Å; H515-Y665 AromaticContact CE1-CZ 3.75Å; H515-Y665 PolarHBondContact CE1-OH 2.7Å; H515-Y665 AromaticContact CG-CD2 3.82Å; H515-Y665 AromaticContact CG-CE1 3.83Å; H515-Y665 AromaticContact CG-CE2 3.6Å; H515-Y665 AromaticContact CG-CZ 3.6Å; H515-Y665 AromaticContact ND1-CE2 3.79Å; H515-Y665 AromaticContact ND1-CZ 3.7Å; H515-Y665 AromaticContact NE2-CE1 3.64Å; H515-Y665 AromaticContact NE2-CZ 3.72Å
516I88.5Confident85Confident6 Ų616.7 Ų16.73%0.0319%0.094CC..Hα-helixtrans-59.9-40.8175.8-70.5165.1000110.7E435 T507 D512 G513 L519 L520E435-I516 HydrophobicContact CB-CD1 4.31Å; E435-I516 HydrophobicContact CG-CD1 3.63Å; E435-I516 WeakPolarHBondContact OE1-CD1 3.46Å; T507-I516 HydrophobicContact CG2-CB 4.09Å; T507-I516 HydrophobicContact CG2-CG2 3.8Å; D512-I516 WeakPolarHBondContact O-CG1 3.28Å; D512-I516 PolarHBondContact O-N 3.28Å; G513-I516 PolarHBondContact O-N 3Å; G513-I516 VanDerWaalsContact O-N 3.15Å; I516-L519 PolarHBondContact O-N 3.32Å; I516-L520 HydrophobicContact CG2-CD1 3.97Å; I516-L520 HydrophobicContact CG2-CG 4.43Å; I516-L520 PolarHBondContact O-N 2.73Å
517R89.8Confident84.7Confident36 Ų3619 Ų1914%0.13610%0.103CC..Hα-helixtrans-57.1-49.7173.6-176171.768.1-165.56.5111.7I505 G513 A514 H515 L519 L520 L521 E657 S661I505-R517 HydrophobicContact CG2-CB 4.46Å; I505-R517 HydrophobicContact CG2-CG 4.38Å; G513-R517 WeakPolarHBondContact O-CB 3.34Å; G513-R517 PolarHBondContact O-N 3.36Å; A514-R517 WeakPolarHBondContact O-CB 3.36Å; A514-R517 PolarHBondContact O-N 2.82Å; H515-R517 VanDerWaalsContact C-N 3.26Å; H515-R517 PolarHBondContact O-N 3.32Å; R517-L519 VanDerWaalsContact C-N 3.3Å; R517-L519 PolarHBondContact O-N 3.44Å; R517-L520 PolarHBondContact O-N 3.15Å; R517-L521 HydrophobicContact CG-CD1 4.03Å; R517-L521 HydrophobicContact CG-CG 4.43Å; R517-L521 WeakPolarHBondContact O-CB 3.26Å; R517-L521 VanDerWaalsContact O-CG 3.31Å; R517-L521 WeakPolarHBondContact O-CG 3.25Å; R517-L521 PolarHBondContact O-N 2.89Å; R517-E657 IonicContact CZ-OE1 3.47Å; R517-E657 IonicContact NE-OE1 2.9Å; R517-E657 PolarHBondContact NE-OE1 3.11Å; R517-E657 IonicContact NH1-OE1 2.67Å; R517-E657 IonicContact NH2-OE1 3.22Å; R517-E657 PolarHBondContact NH2-OE1 2.71Å; R517-S661 PolarHBondContact NE-OG 2.92Å; R517-S661 PolarHBondContact NH2-OG 3.06Å
518T89.9Confident84.5Confident0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-58.8-40.3176590000112.8A514 H515 T522 M658 S661 F662A514-T518 WeakPolarHBondContact O-CG2 3.27Å; A514-T518 PolarHBondContact O-N 3.08Å; H515-T518 PolarHBondContact O-N 3.01Å; H515-T518 PolarHBondContact O-OG1 3.14Å; T518-T522 WeakPolarHBondContact O-CB 3.27Å; T518-T522 PolarHBondContact O-N 2.61Å; T518-T522 PolarHBondContact O-OG1 2.8Å; T518-M658 HydrophobicContact CG2-CE 4.22Å; T518-M658 HydrophobicContact CG2-SD 4.29Å; T518-S661 VanDerWaalsContact CG2-CB 3.41Å; T518-F662 HydrophobicContact CG2-CB 3.98Å
519L91.8Very high84.6Confident4 Ų420.2 Ų20.22%0.02110%0.104CC..Hα-helixtrans-67.6-41.3179.6-67.7162.5000112K460 I461 N463 H515 I516 R517 T522 L523 M626K460-L519 HydrophobicContact CB-CD1 4.29Å; I461-L519 HydrophobicContact CB-CB 4.1Å; I461-L519 HydrophobicContact CB-CD1 4.49Å; I461-L519 WeakPolarHBondContact O-CD1 3.39Å; N463-L519 HydrophobicContact CB-CD2 3.69Å; H515-L519 WeakPolarHBondContact O-CG 3.48Å; H515-L519 PolarHBondContact O-N 2.85Å; I516-L519 PolarHBondContact O-N 3.32Å; R517-L519 VanDerWaalsContact C-N 3.3Å; R517-L519 PolarHBondContact O-N 3.44Å; L519-T522 PolarHBondContact O-N 2.8Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.9Å; L519-M626 HydrophobicContact CD2-CE 3.61Å; L519-M626 HydrophobicContact CG-CE 4.27Å
520L92.4Very high85.3Confident1 Ų119.7 Ų19.71%0.00510%0.096CC..Hα-helixtrans-65.3-47.8175.3-80.2170.6000111.9I433 I457 I461 L481 I505 I516 R517 T522 L523 F524I433-L520 HydrophobicContact CG2-CD1 3.9Å; I433-L520 HydrophobicContact CG2-CD2 4.33Å; I457-L520 HydrophobicContact CD1-CD2 4.07Å; I461-L520 HydrophobicContact CD1-CD1 4.29Å; I461-L520 HydrophobicContact CD1-CD2 3.18Å; I461-L520 HydrophobicContact CD1-CG 3.45Å; I461-L520 VanDerWaalsContact CD1-CG 3.45Å; L481-L520 HydrophobicContact CD2-CD2 4.41Å; I505-L520 HydrophobicContact CD1-CB 3.95Å; I505-L520 HydrophobicContact CD1-CD1 4.37Å; I505-L520 HydrophobicContact CG1-CD1 4.15Å; I505-L520 HydrophobicContact CG2-CD1 3.75Å; I516-L520 HydrophobicContact CG2-CD1 3.97Å; I516-L520 HydrophobicContact CG2-CG 4.43Å; I516-L520 PolarHBondContact O-N 2.73Å; R517-L520 PolarHBondContact O-N 3.15Å; L520-T522 VanDerWaalsContact C-N 3.26Å; L520-T522 PolarHBondContact O-N 2.83Å; L520-L523 WeakPolarHBondContact O-CB 3.42Å; L520-L523 PolarHBondContact O-N 2.94Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L520-F524 HydrophobicContact CB-CD2 4.49Å; L520-F524 HydrophobicContact CB-CE2 4.09Å; L520-F524 HydrophobicContact CD2-CE2 4.34Å; L520-F524 HydrophobicContact CD2-CZ 4.12Å; L520-F524 WeakPolarHBondContact O-CD2 3.48Å; L520-F524 VanDerWaalsContact O-CG 3.29Å; L520-F524 WeakPolarHBondContact O-CG 3.23Å; L520-F524 PolarHBondContact O-N 3.39Å
521L92.5Very high86.1Confident2 Ų216.8 Ų16.81%0.018%0.08CC..Hα-helixtrans-59.8-39.2176.8-71.3176.9000111.4I505 R517 F524 Y525 V537 V610 L654 E657 M658I505-L521 HydrophobicContact CD1-CD2 3.9Å; I505-L521 HydrophobicContact CD1-CG 4.17Å; R517-L521 HydrophobicContact CG-CD1 4.03Å; R517-L521 HydrophobicContact CG-CG 4.43Å; R517-L521 WeakPolarHBondContact O-CB 3.26Å; R517-L521 VanDerWaalsContact O-CG 3.31Å; R517-L521 WeakPolarHBondContact O-CG 3.25Å; R517-L521 PolarHBondContact O-N 2.89Å; L521-F524 PolarHBondContact O-N 2.97Å; L521-Y525 VanDerWaalsContact O-CB 3.25Å; L521-Y525 WeakPolarHBondContact O-CB 3.45Å; L521-Y525 PolarHBondContact O-N 2.96Å; L521-V537 HydrophobicContact CD2-CG1 4.22Å; L521-V610 HydrophobicContact CD2-CG1 4.26Å; L521-V610 HydrophobicContact CD2-CG2 4.07Å; L521-L654 HydrophobicContact CB-CD1 4.04Å; L521-L654 HydrophobicContact CD1-CD1 4.25Å; L521-L654 HydrophobicContact CD2-CD1 3.88Å; L521-L654 HydrophobicContact CG-CD1 4.27Å; L521-E657 HydrophobicContact CD1-CG 3.92Å; L521-M658 HydrophobicContact CB-CG 4.46Å; L521-M658 HydrophobicContact CB-SD 3.55Å; L521-M658 VanDerWaalsContact CB-SD 3.55Å; L521-M658 HydrophobicContact CD1-CG 4.36Å; L521-M658 HydrophobicContact CD1-SD 3.88Å; L521-M658 HydrophobicContact CG-SD 4.38Å
522T91.2Very high87.1Confident0 Ų015.1 Ų15.10%07%0.07CC..Hα-helixtrans-62.9-46.3173.5-53.20000111.6V464 E465 T518 L519 L520 F524 Y525 R526 F622 M626V464-T522 HydrophobicContact CG2-CG2 3.92Å; E465-T522 HydrophobicContact CB-CG2 4.35Å; T518-T522 WeakPolarHBondContact O-CB 3.27Å; T518-T522 PolarHBondContact O-N 2.61Å; T518-T522 PolarHBondContact O-OG1 2.8Å; L519-T522 PolarHBondContact O-N 2.8Å; L520-T522 VanDerWaalsContact C-N 3.26Å; L520-T522 PolarHBondContact O-N 2.83Å; T522-F524 PolarHBondContact O-N 3.1Å; T522-Y525 PolarHBondContact O-N 2.82Å; T522-R526 HydrophobicContact CG2-CG 4.24Å; T522-R526 VanDerWaalsContact O-CB 3.28Å; T522-R526 WeakPolarHBondContact O-CB 3.35Å; T522-R526 VanDerWaalsContact O-CG 3.32Å; T522-R526 WeakPolarHBondContact O-CG 3.33Å; T522-R526 PolarHBondContact O-N 3.24Å; T522-F622 HydrophobicContact CG2-CD1 3.89Å; T522-F622 HydrophobicContact CG2-CE1 4.25Å; T522-F622 WeakPolarHBondContact OG1-CD1 3.29Å; T522-F622 WeakPolarHBondContact OG1-CE1 3.35Å; T522-M626 HydrophobicContact CG2-CB 4.33Å; T522-M626 HydrophobicContact CG2-CG 4.28Å; T522-M626 WeakPolarHBondContact OG1-CG 3.22Å
523L90.6Very high87.5Confident0 Ų019.5 Ų19.50%09%0.09CC..Hα-helixtrans-58.6-48.3175.8175.167.2000111.7V464 I478 L481 F482 L519 L520 Y527V464-L523 HydrophobicContact CG1-CD1 3.76Å; V464-L523 HydrophobicContact CG2-CB 4.48Å; I478-L523 HydrophobicContact CD1-CD1 4.25Å; I478-L523 HydrophobicContact CG1-CD1 4.43Å; I478-L523 HydrophobicContact CG1-CD2 4.18Å; I478-L523 HydrophobicContact CG2-CD1 4.09Å; I478-L523 HydrophobicContact CG2-CD2 4.47Å; L481-L523 HydrophobicContact CD2-CD2 3.69Å; F482-L523 HydrophobicContact CE2-CD1 4.36Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.9Å; L520-L523 WeakPolarHBondContact O-CB 3.42Å; L520-L523 PolarHBondContact O-N 2.94Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L523-Y527 HydrophobicContact CD1-CD2 4.15Å; L523-Y527 PolarHBondContact O-N 2.72Å
524F90.5Very high87.7Confident0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-64.3-46.6-179.4-64.5-38.1000111.9I433 L481 L503 I505 L520 L521 T522 M528 R529 V532 V537I433-F524 HydrophobicContact CD1-CE2 4.31Å; I433-F524 HydrophobicContact CD1-CZ 3.6Å; L481-F524 HydrophobicContact CD2-CE1 3.67Å; L481-F524 HydrophobicContact CD2-CZ 4.09Å; L503-F524 HydrophobicContact CD2-CE1 3.77Å; L503-F524 HydrophobicContact CD2-CZ 3.77Å; I505-F524 HydrophobicContact CD1-CD2 4.35Å; I505-F524 HydrophobicContact CD1-CE2 3.93Å; I505-F524 HydrophobicContact CG1-CE2 4.12Å; L520-F524 HydrophobicContact CB-CD2 4.49Å; L520-F524 HydrophobicContact CB-CE2 4.09Å; L520-F524 HydrophobicContact CD2-CE2 4.34Å; L520-F524 HydrophobicContact CD2-CZ 4.12Å; L520-F524 WeakPolarHBondContact O-CD2 3.48Å; L520-F524 VanDerWaalsContact O-CG 3.29Å; L520-F524 WeakPolarHBondContact O-CG 3.23Å; L520-F524 PolarHBondContact O-N 3.39Å; L521-F524 PolarHBondContact O-N 2.97Å; T522-F524 PolarHBondContact O-N 3.1Å; F524-M528 HydrophobicContact CD1-CB 4.46Å; F524-M528 HydrophobicContact CD1-CG 4.46Å; F524-M528 HydrophobicContact CD1-SD 3.63Å; F524-M528 HydrophobicContact CE1-SD 3.91Å; F524-M528 CarbonylContact O-C 3.43Å; F524-M528 WeakPolarHBondContact O-CA 3.41Å; F524-M528 WeakPolarHBondContact O-CB 3.35Å; F524-M528 PolarHBondContact O-N 3.04Å; F524-R529 PolarHBondContact O-N 2.65Å; F524-V532 HydrophobicContact CB-CG2 3.92Å; F524-V537 HydrophobicContact CD2-CG1 3.98Å; F524-V537 HydrophobicContact CD2-CG2 4.25Å; F524-V537 HydrophobicContact CE2-CG1 4.29Å; F524-V537 HydrophobicContact CG-CG2 4.46Å
525Y89Confident88Confident1 Ų121.9 Ų21.90%0.00411%0.111CC..Hα-helixtrans-66.5-40.1-179.7-177.8-108.1000113.1L521 T522 R529 V612 A615 A618 D619 F622 L654L521-Y525 VanDerWaalsContact O-CB 3.25Å; L521-Y525 WeakPolarHBondContact O-CB 3.45Å; L521-Y525 PolarHBondContact O-N 2.96Å; T522-Y525 PolarHBondContact O-N 2.82Å; Y525-R529 HydrophobicContact CD2-CG 4.44Å; Y525-R529 HydrophobicContact CE2-CG 4.5Å; Y525-R529 WeakPolarHBondContact O-CB 3.35Å; Y525-R529 PolarHBondContact OH-NH2 2.6Å; Y525-V612 HydrophobicContact CD2-CG2 4.22Å; Y525-V612 HydrophobicContact CE2-CG1 4.09Å; Y525-V612 HydrophobicContact CE2-CG2 4.14Å; Y525-A615 PolarHBondContact OH-O 3.46Å; Y525-A618 HydrophobicContact CE1-CB 4.33Å; Y525-A618 HydrophobicContact CE2-CB 4.04Å; Y525-A618 WeakPolarHBondContact OH-CB 3.47Å; Y525-D619 WeakPolarHBondContact CE1-OD1 3.48Å; Y525-D619 PolarHBondContact OH-N 2.78Å; Y525-D619 PolarHBondContact OH-OD1 3.21Å; Y525-D619 VanDerWaalsContact OH-OD1 3.06Å; Y525-F622 AromaticContact CD1-CD2 3.31Å; Y525-F622 HydrophobicContact CD1-CD2 3.31Å; Y525-F622 AromaticContact CD1-CE2 3.33Å; Y525-F622 HydrophobicContact CD1-CE2 3.33Å; Y525-F622 HydrophobicContact CD1-CG 4Å; Y525-F622 AromaticContact CD1-CZ 4Å; Y525-F622 HydrophobicContact CD1-CZ 4Å; Y525-F622 HydrophobicContact CD2-CE2 4.22Å; Y525-F622 AromaticContact CE1-CD2 3.49Å; Y525-F622 HydrophobicContact CE1-CD2 3.49Å; Y525-F622 VanDerWaalsContact CE1-CD2 3.49Å; Y525-F622 AromaticContact CE1-CE2 3.79Å; Y525-F622 HydrophobicContact CE1-CE2 3.79Å; Y525-F622 HydrophobicContact CE1-CG 4.35Å; Y525-F622 HydrophobicContact CG-CD2 4.04Å; Y525-F622 AromaticContact CG-CE2 3.55Å; Y525-F622 HydrophobicContact CG-CE2 3.55Å; Y525-F622 AromaticContact CG-CZ 3.98Å; Y525-F622 HydrophobicContact CG-CZ 3.98Å; Y525-L654 HydrophobicContact CD2-CD2 3.33Å; Y525-L654 HydrophobicContact CE2-CD2 3.93Å; Y525-L654 HydrophobicContact CG-CD2 3.75Å
526R84.4Confident88.4Confident33 Ų3323.1 Ų23.113%0.12512%0.115CC..Hα-helixtrans-79.3-36.4-177-69.4-62.7-171.9-155.5-1.5114.2V464 E465 T522 D619V464-R526 HydrophobicContact CG2-CB 4.4Å; E465-R526 VanDerWaalsContact CD-NE 3.29Å; E465-R526 IonicContact OE1-CZ 3.3Å; E465-R526 IonicContact OE1-NE 2.71Å; E465-R526 PolarHBondContact OE1-NE 3.41Å; E465-R526 VanDerWaalsContact OE1-NE 3.08Å; E465-R526 IonicContact OE1-NH2 3.34Å; E465-R526 PolarHBondContact OE1-NH2 3.02Å; E465-R526 WeakPolarHBondContact OE2-CD 3.33Å; E465-R526 WeakPolarHBondContact OE2-CG 3.12Å; E465-R526 IonicContact OE2-CZ 2.71Å; E465-R526 IonicContact OE2-NE 3.35Å; E465-R526 PolarHBondContact OE2-NE 3.11Å; E465-R526 IonicContact OE2-NH2 2.73Å; T522-R526 HydrophobicContact CG2-CG 4.24Å; T522-R526 VanDerWaalsContact O-CB 3.28Å; T522-R526 WeakPolarHBondContact O-CB 3.35Å; T522-R526 VanDerWaalsContact O-CG 3.32Å; T522-R526 WeakPolarHBondContact O-CG 3.33Å; T522-R526 PolarHBondContact O-N 3.24Å; R526-D619 IonicContact CZ-OD1 3.01Å; R526-D619 IonicContact NH1-OD1 3.7Å; R526-D619 PolarHBondContact NH1-OD1 3.42Å; R526-D619 PolarHBondContact NH2-O 2.83Å; R526-D619 IonicContact NH2-OD1 3.32Å
527Y83.8Confident88.6Confident49 Ų4922.9 Ų22.919%0.19211%0.114CC..Hα-helixtrans-119.2-10.8-171.3-66.2-88.2000114.2V464 M469 I472 F489 L523V464-Y527 HydrophobicContact CB-CD2 4.17Å; V464-Y527 HydrophobicContact CB-CE2 3.56Å; V464-Y527 HydrophobicContact CG1-CE2 4.28Å; V464-Y527 HydrophobicContact CG2-CD2 3.9Å; V464-Y527 HydrophobicContact CG2-CE2 3.58Å; M469-Y527 HydrophobicContact CE-CE1 3.79Å; M469-Y527 HydrophobicContact SD-CE1 4.14Å; I472-Y527 HydrophobicContact CD1-CE1 4.15Å; I472-Y527 HydrophobicContact CD1-CE2 3.91Å; I472-Y527 VanDerWaalsContact CD1-CZ 3.44Å; I472-Y527 WeakPolarHBondContact CD1-OH 3.48Å; F489-Y527 HydrophobicContact CZ-CD1 4.26Å; L523-Y527 HydrophobicContact CD1-CD2 4.15Å; L523-Y527 PolarHBondContact O-N 2.72Å
528M84.6Confident88.8Confident0 Ų022.1 Ų22.10%011%0.111CC..  trans-136.729.3-176.9-48.1-179.78900111.3F482 M485 F493 F524 P530 I531F482-M528 HydrophobicContact CD1-CE 3.78Å; F482-M528 HydrophobicContact CD1-SD 4.4Å; F482-M528 HydrophobicContact CE1-CE 3.6Å; F482-M528 HydrophobicContact CE1-CG 3.7Å; F482-M528 HydrophobicContact CE1-SD 3.79Å; F482-M528 HydrophobicContact CE2-SD 4.48Å; F482-M528 HydrophobicContact CZ-CE 4.24Å; F482-M528 HydrophobicContact CZ-CG 3.71Å; F482-M528 HydrophobicContact CZ-SD 3.82Å; M485-M528 HydrophobicContact CB-CE 4.4Å; M485-M528 HydrophobicContact CE-CE 3.37Å; M485-M528 HydrophobicContact CG-CE 4.1Å; F493-M528 HydrophobicContact CE2-CB 3.76Å; F493-M528 HydrophobicContact CE2-CE 3.69Å; F493-M528 HydrophobicContact CE2-CG 3.67Å; F493-M528 HydrophobicContact CZ-CB 3.67Å; F493-M528 HydrophobicContact CZ-CE 4.37Å; F493-M528 HydrophobicContact CZ-CG 4.13Å; F524-M528 HydrophobicContact CD1-CB 4.46Å; F524-M528 HydrophobicContact CD1-CG 4.46Å; F524-M528 HydrophobicContact CD1-SD 3.63Å; F524-M528 HydrophobicContact CE1-SD 3.91Å; F524-M528 CarbonylContact O-C 3.43Å; F524-M528 WeakPolarHBondContact O-CA 3.41Å; F524-M528 WeakPolarHBondContact O-CB 3.35Å; F524-M528 PolarHBondContact O-N 3.04Å; M528-P530 VanDerWaalsContact C-N 3.28Å; M528-P530 VanDerWaalsContact O-N 3.09Å; M528-I531 HydrophobicContact CB-CD1 4.22Å; M528-I531 HydrophobicContact CE-CD1 3.96Å; M528-I531 WeakPolarHBondContact O-CB 3.48Å; M528-I531 PolarHBondContact O-N 2.92Å
529R84Confident88.9Confident70 Ų7022.2 Ų22.226%0.26411%0.111SC..Hα-helixtrans-45.5-43.5-174.9-166.9-177-88.4-171.8-4113.8F524 Y525 I531 V532 E533 D619F524-R529 PolarHBondContact O-N 2.65Å; Y525-R529 HydrophobicContact CD2-CG 4.44Å; Y525-R529 HydrophobicContact CE2-CG 4.5Å; Y525-R529 WeakPolarHBondContact O-CB 3.35Å; Y525-R529 PolarHBondContact OH-NH2 2.6Å; R529-I531 PolarHBondContact O-N 2.84Å; R529-V532 WeakPolarHBondContact O-CB 3.35Å; R529-V532 PolarHBondContact O-N 2.77Å; R529-E533 VanDerWaalsContact CD-OE1 3.23Å; R529-E533 WeakPolarHBondContact CD-OE1 3.28Å; R529-E533 HydrophobicContact CG-CG 4.19Å; R529-E533 WeakPolarHBondContact CG-OE1 3.16Å; R529-E533 PolarHBondContact O-N 3.39Å; R529-D619 IonicContact NH2-OD1 2.92Å; R529-D619 PolarHBondContact NH2-OD1 3.35Å; R529-D619 IonicContact NH2-OD2 2.81Å; R529-D619 PolarHBondContact NH2-OD2 2.63Å
530P86.1Confident88.8Confident51 Ų5122.3 Ų22.333%0.33111%0.113SC..Hα-helixtrans-59.9-22.8179.7-24.734.9000114.7F493 V495 M528 A534F493-P530 HydrophobicContact CD1-CG 4.22Å; F493-P530 HydrophobicContact CE1-CB 4.08Å; F493-P530 HydrophobicContact CE1-CG 3.95Å; V495-P530 HydrophobicContact CB-CB 4.19Å; V495-P530 HydrophobicContact CG1-CB 4.46Å; M528-P530 VanDerWaalsContact C-N 3.28Å; M528-P530 VanDerWaalsContact O-N 3.09Å; P530-A534 WeakPolarHBondContact O-CB 3.49Å; P530-A534 PolarHBondContact O-N 3.39Å
531I88.1Confident88.5Confident0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-75.6-37.1174.7-70.8179.8000111.4M485 T487 F493 V495 L503 M528 R529 G535 Y536 V537M485-I531 HydrophobicContact CE-CD1 3.01Å; M485-I531 HydrophobicContact CE-CG1 4.44Å; T487-I531 HydrophobicContact CG2-CD1 4.26Å; F493-I531 HydrophobicContact CE1-CD1 4.49Å; F493-I531 HydrophobicContact CE1-CG1 4.26Å; F493-I531 HydrophobicContact CE2-CD1 4.17Å; F493-I531 HydrophobicContact CZ-CD1 3.51Å; F493-I531 HydrophobicContact CZ-CG1 3.69Å; V495-I531 HydrophobicContact CG2-CG1 3.96Å; L503-I531 HydrophobicContact CD1-CG2 3.69Å; M528-I531 HydrophobicContact CB-CD1 4.22Å; M528-I531 HydrophobicContact CE-CD1 3.96Å; M528-I531 WeakPolarHBondContact O-CB 3.48Å; M528-I531 PolarHBondContact O-N 2.92Å; R529-I531 PolarHBondContact O-N 2.84Å; I531-G535 PolarHBondContact O-N 3.26Å; I531-Y536 WeakPolarHBondContact O-CB 3.37Å; I531-Y536 PolarHBondContact O-N 2.9Å; I531-V537 HydrophobicContact CG2-CG2 3.8Å
532V87.9Confident88.1Confident4 Ų424.1 Ų24.12%0.02412%0.123CC..Hα-helixtrans-68-45.6175.2-165.90000109.3F524 R529 A534 G535 V537 V610 V612 L654F524-V532 HydrophobicContact CB-CG2 3.92Å; R529-V532 WeakPolarHBondContact O-CB 3.35Å; R529-V532 PolarHBondContact O-N 2.77Å; V532-A534 VanDerWaalsContact C-N 3.29Å; V532-A534 PolarHBondContact O-N 3.2Å; V532-G535 PolarHBondContact O-N 3.38Å; V532-V537 HydrophobicContact CG2-CG2 4.11Å; V532-V610 HydrophobicContact CG1-CG1 4.05Å; V532-V612 HydrophobicContact CB-CG2 4.36Å; V532-V612 HydrophobicContact CG1-CG2 3.61Å; V532-L654 HydrophobicContact CG1-CD2 4.49Å
533E85.2Confident87.8Confident120 Ų12024.2 Ų24.256%0.56112%0.123SC*.Hα-helixtrans-63.2-33.1176.8-68.7170.8171.800112.7R529 G535R529-E533 VanDerWaalsContact CD-OE1 3.23Å; R529-E533 WeakPolarHBondContact CD-OE1 3.28Å; R529-E533 HydrophobicContact CG-CG 4.19Å; R529-E533 WeakPolarHBondContact CG-OE1 3.16Å; R529-E533 PolarHBondContact O-N 3.39Å; E533-G535 PolarHBondContact O-N 3.01Å
534A85.5Confident87.2Confident45 Ų4526.2 Ų26.237%0.37213%0.134SC..THydrogen-bonded Turntrans-73.4-5.1173.400000113.9V495 P530 V532 Y536V495-A534 HydrophobicContact CG2-CB 4.43Å; P530-A534 WeakPolarHBondContact O-CB 3.49Å; P530-A534 PolarHBondContact O-N 3.39Å; V532-A534 VanDerWaalsContact C-N 3.29Å; V532-A534 PolarHBondContact O-N 3.2Å; A534-Y536 HydrophobicContact CB-CD1 4.01Å; A534-Y536 HydrophobicContact CB-CD2 4.14Å; A534-Y536 HydrophobicContact CB-CE1 3.97Å; A534-Y536 HydrophobicContact CB-CE2 4.1Å; A534-Y536 HydrophobicContact CB-CG 4.08Å; A534-Y536 VanDerWaalsContact O-CD1 3.3Å; A534-Y536 WeakPolarHBondContact O-CD1 3.26Å; A534-Y536 WeakPolarHBondContact O-CE1 3.31Å
535G87.5Confident86.8Confident14 Ų1427.3 Ų27.314%0.14414%0.138CC..THydrogen-bonded Turntrans71.229.3-178.700000113.7I531 V532 E533 Y538I531-G535 PolarHBondContact O-N 3.26Å; V532-G535 PolarHBondContact O-N 3.38Å; E533-G535 PolarHBondContact O-N 3.01Å; G535-Y538 WeakPolarHBondContact O-CE2 3.42Å; G535-Y538 PolarHBondContact O-OH 2.84Å
536Y92.4Very high86.6Confident49 Ų4927.4 Ų27.419%0.19214%0.14CC..  trans-92-6-176.8-68.9-2.7000113.7V495 H501 L503 I531 A534 Y538V495-Y536 HydrophobicContact CG2-CD2 4.47Å; V495-Y536 HydrophobicContact CG2-CE2 4.15Å; H501-Y536 HydrophobicContact CB-CD1 4.24Å; H501-Y536 HydrophobicContact CB-CD2 4.5Å; H501-Y536 HydrophobicContact CB-CE1 4.07Å; H501-Y536 HydrophobicContact CB-CE2 4.33Å; H501-Y536 HydrophobicContact CB-CG 4.47Å; H501-Y536 AromaticContact CD2-CE2 3.65Å; H501-Y536 AromaticContact CD2-CZ 3.78Å; H501-Y536 PolarHBondContact CE1-OH 3.04Å; H501-Y536 AromaticContact CG-CE2 3.93Å; H501-Y536 AromaticContact CG-CZ 3.67Å; H501-Y536 AromaticContact ND1-CZ 3.87Å; H501-Y536 VanDerWaalsContact O-CA 3.3Å; H501-Y536 WeakPolarHBondContact O-CA 3.27Å; H501-Y536 VanDerWaalsContact O-CB 3.22Å; H501-Y536 WeakPolarHBondContact O-CB 3.29Å; H501-Y536 WeakPolarHBondContact O-CD1 3.42Å; L503-Y536 PolarHBondContact N-O 3.34Å; I531-Y536 WeakPolarHBondContact O-CB 3.37Å; I531-Y536 PolarHBondContact O-N 2.9Å; A534-Y536 HydrophobicContact CB-CD1 4.01Å; A534-Y536 HydrophobicContact CB-CD2 4.14Å; A534-Y536 HydrophobicContact CB-CE1 3.97Å; A534-Y536 HydrophobicContact CB-CE2 4.1Å; A534-Y536 HydrophobicContact CB-CG 4.08Å; A534-Y536 VanDerWaalsContact O-CD1 3.3Å; A534-Y536 WeakPolarHBondContact O-CD1 3.26Å; A534-Y536 WeakPolarHBondContact O-CE1 3.31Å; Y536-Y538 VanDerWaalsContact O-CD2 3.3Å; Y536-Y538 WeakPolarHBondContact O-CD2 3.36Å; Y536-Y538 WeakPolarHBondContact O-CE2 3.28Å
537V93.2Very high86.7Confident1 Ų126 Ų261%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-98.2127.5-179.5-175.40000110.3I505 L521 F524 I531 V532 V610I505-V537 HydrophobicContact CD1-CG1 4.28Å; L521-V537 HydrophobicContact CD2-CG1 4.22Å; F524-V537 HydrophobicContact CD2-CG1 3.98Å; F524-V537 HydrophobicContact CD2-CG2 4.25Å; F524-V537 HydrophobicContact CE2-CG1 4.29Å; F524-V537 HydrophobicContact CG-CG2 4.46Å; I531-V537 HydrophobicContact CG2-CG2 3.8Å; V532-V537 HydrophobicContact CG2-CG2 4.11Å; V537-V610 HydrophobicContact CB-CB 4.2Å; V537-V610 HydrophobicContact CB-CG2 4.44Å; V537-V610 HydrophobicContact CG1-CB 4.27Å; V537-V610 HydrophobicContact CG1-CG2 4.02Å; V537-V610 PolarHBondContact O-N 3.44Å
538Y93.7Very high86.7Confident21 Ų2129 Ų298%0.08215%0.149CC..EExtended strand (participates in β ladder)trans-129.5153.7-178.1-60.1-98.4000110.3K502 L503 V504 I505 G535 Y536 M607 L608 R609 I649K502-Y538 HydrophobicContact CB-CD2 3.88Å; K502-Y538 HydrophobicContact CB-CE2 3.83Å; K502-Y538 HydrophobicContact CD-CD2 4.47Å; K502-Y538 HydrophobicContact CD-CE2 4.08Å; K502-Y538 HydrophobicContact CG-CD2 4.26Å; K502-Y538 HydrophobicContact CG-CE2 3.74Å; L503-Y538 PolarHBondContact O-N 2.91Å; V504-Y538 CarbonylContact C-O 3.38Å; V504-Y538 WeakPolarHBondContact CA-O 3.44Å; I505-Y538 PolarHBondContact N-O 3.41Å; G535-Y538 WeakPolarHBondContact O-CE2 3.42Å; G535-Y538 PolarHBondContact O-OH 2.84Å; Y536-Y538 VanDerWaalsContact O-CD2 3.3Å; Y536-Y538 WeakPolarHBondContact O-CD2 3.36Å; Y536-Y538 WeakPolarHBondContact O-CE2 3.28Å; Y538-M607 HydrophobicContact CD1-CB 4.43Å; Y538-M607 HydrophobicContact CD1-CE 4.15Å; Y538-M607 HydrophobicContact CD1-SD 4.39Å; Y538-L608 CarbonylContact C-O 3.58Å; Y538-L608 WeakPolarHBondContact CA-O 3.31Å; Y538-R609 HydrophobicContact CD1-CB 3.86Å; Y538-R609 HydrophobicContact CD1-CG 4.13Å; Y538-R609 HydrophobicContact CE1-CB 3.71Å; Y538-R609 HydrophobicContact CE1-CG 3.67Å; Y538-I649 HydrophobicContact CE1-CG2 4.21Å
539I91.5Very high86.5Confident1 Ų130.7 Ų30.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-121.2122.5174.5-56.6161.2000107.4I505 M607 L608 V610 E657I505-I539 HydrophobicContact CD1-CG1 4.46Å; I539-M607 WeakPolarHBondContact O-CA 3.31Å; I539-L608 HydrophobicContact CB-CB 4.27Å; I539-L608 PolarHBondContact N-O 2.95Å; I539-L608 PolarHBondContact O-N 3.2Å; I539-V610 HydrophobicContact CD1-CG2 3.77Å; I539-V610 HydrophobicContact CG1-CG2 4.05Å; I539-E657 HydrophobicContact CD1-CG 3.65Å
540A90.7Very high86.3Confident7 Ų730.1 Ų30.16%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-69.4144.5175.500000111V504 I505 M506 P542 T599V504-A540 HydrophobicContact CG1-CB 3.84Å; I505-A540 PolarHBondContact O-N 3.44Å; M506-A540 HydrophobicContact CB-CB 4.04Å; M506-A540 HydrophobicContact CG-CB 3.82Å; A540-P542 WeakPolarHBondContact O-CD 3.39Å; A540-T599 HydrophobicContact CB-CG2 3.8Å
541Q85.8Confident85.7Confident23 Ų2337.5 Ų37.511%0.10720%0.199CC..  trans-118.787.5177.8-65.5-68.1-6300109.5P558 L606 L608Q541-P558 HydrophobicContact CB-CG 3.95Å; Q541-L606 HydrophobicContact CB-CB 4.07Å; Q541-L606 HydrophobicContact CB-CD2 3.97Å; Q541-L606 HydrophobicContact CB-CG 4.41Å; Q541-L606 WeakPolarHBondContact CB-O 3.42Å; Q541-L606 HydrophobicContact CG-CD2 4.09Å; Q541-L606 PolarHBondContact N-O 2.89Å; Q541-L608 HydrophobicContact CG-CD1 4.46Å; Q541-L608 HydrophobicContact CG-CG 4.05Å
542P84.8Confident85.3Confident17 Ų1743.4 Ų43.411%0.1123%0.231CC..  trans-71156.3175.131.4-35.8000111.3A540 P558 L587 T599A540-P542 WeakPolarHBondContact O-CD 3.39Å; P542-P558 VanDerWaalsContact O-CD 3.27Å; P542-P558 WeakPolarHBondContact O-CD 3.48Å; P542-P558 WeakPolarHBondContact O-CG 3.48Å; P542-L587 HydrophobicContact CB-CD2 3.75Å; P542-L587 HydrophobicContact CG-CD2 3.93Å; P542-T599 WeakPolarHBondContact CA-OG1 3.31Å; P542-T599 HydrophobicContact CB-CG2 4.17Å
543P83.6Confident85Confident2 Ų245.7 Ų45.71%0.01324%0.242CC..  trans-67.8144.6-178.329.1-35.8000112.3Y555 I556 Y584 M590 T598P543-Y555 HydrophobicContact CB-CD1 4.28Å; P543-Y555 HydrophobicContact CB-CG 4.39Å; P543-Y555 HydrophobicContact CG-CD1 4.02Å; P543-Y555 HydrophobicContact CG-CG 4.38Å; P543-I556 CarbonylContact C-O 3.54Å; P543-I556 WeakPolarHBondContact CA-O 2.92Å; P543-Y584 HydrophobicContact CG-CD2 4.43Å; P543-M590 HydrophobicContact CG-CE 3.66Å; P543-M590 HydrophobicContact CG-SD 4.36Å; P543-T598 HydrophobicContact CG-CG2 4.04Å
544L78.8Confident85Confident43 Ų4342 Ų4223%0.22523%0.228CC..SBendtrans-77.2-39.2177.4-82.2167.8000112.5I556 P558 A562 Y584L544-I556 PolarHBondContact N-O 3.16Å; L544-P558 HydrophobicContact CD1-CB 4Å; L544-P558 HydrophobicContact CG-CB 4.06Å; L544-A562 HydrophobicContact CD1-CB 3.74Å; L544-Y584 PolarHBondContact O-N 3.18Å
545Y82.9Confident85Confident23 Ų2341.5 Ų41.59%0.0922%0.217CC..EExtended strand (participates in β ladder)trans-133.7143.7-175.2-55.2-82.9000111.7Y555 I556 L566 V581 Q582 R583Y545-Y555 CarbonylContact O-C 3.48Å; Y545-Y555 WeakPolarHBondContact O-CA 3.5Å; Y545-I556 HydrophobicContact CD2-CB 4.15Å; Y545-I556 HydrophobicContact CD2-CG2 4.27Å; Y545-I556 PolarHBondContact O-N 2.61Å; Y545-L566 HydrophobicContact CD1-CD2 4Å; Y545-L566 HydrophobicContact CD2-CD2 4.07Å; Y545-L566 HydrophobicContact CE1-CD2 3.99Å; Y545-L566 HydrophobicContact CE2-CD2 4.06Å; Y545-L566 HydrophobicContact CG-CD1 4.32Å; Y545-L566 HydrophobicContact CG-CD2 4.05Å; Y545-V581 HydrophobicContact CD1-CG1 4.29Å; Y545-Q582 CarbonylContact C-O 3.57Å; Y545-Q582 WeakPolarHBondContact CA-O 3.4Å; Y545-R583 HydrophobicContact CD1-CB 3.86Å; Y545-R583 HydrophobicContact CD1-CG 4.01Å; Y545-R583 HydrophobicContact CE1-CB 3.84Å; Y545-R583 HydrophobicContact CE1-CG 3.69Å
546G85.1Confident84.8Confident3 Ų340.9 Ų40.93%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-115.1122.3166.800000110.6Q582G546-Q582 PolarHBondContact N-O 3.31Å; G546-Q582 PolarHBondContact O-N 3.09Å
547I85.8Confident84.1Confident3 Ų341.2 Ų41.22%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-102.5114.1176-49.6171.9000108.3I553 T554 I556 L566 K569 I570 L573 P579I547-I553 CarbonylContact O-C 3.56Å; I547-I553 WeakPolarHBondContact O-CA 3.31Å; I547-T554 PolarHBondContact N-O 3.47Å; I547-T554 PolarHBondContact O-N 2.78Å; I547-I556 HydrophobicContact CD1-CD1 4.12Å; I547-I556 HydrophobicContact CD1-CG1 4.22Å; I547-L566 HydrophobicContact CD1-CD1 3.82Å; I547-L566 HydrophobicContact CG1-CD1 3.98Å; I547-K569 HydrophobicContact CD1-CB 3.66Å; I547-I570 HydrophobicContact CD1-CG1 4.37Å; I547-L573 HydrophobicContact CG2-CD1 3.61Å; I547-P579 HydrophobicContact CG2-CB 4.01Å
548K83.4Confident82.9Confident113 Ų11342.4 Ų42.449%0.49122%0.221SC..EExtended strand (participates in β ladder)trans-106.9120.3180-171.4173.4-173.6171.50111I553 N580K548-I553 HydrophobicContact CB-CG1 4.48Å; K548-I553 HydrophobicContact CG-CG1 4.14Å; K548-N580 HydrophobicContact CB-CB 4.48Å; K548-N580 PolarHBondContact N-O 3.06Å; K548-N580 PolarHBondContact O-N 2.83Å
549Q81.3Confident81.6Confident35 Ų3543.3 Ų43.316%0.16424%0.237CC..EExtended strand (participates in β ladder)trans-130103.4170.5-163.2179.747.600110.2K551 N552 P574 P577Q549-K551 PolarHBondContact O-N 2.8Å; Q549-N552 PolarHBondContact N-O 2.89Å; Q549-N552 PolarHBondContact O-N 3.34Å; Q549-P574 PolarHBondContact NE2-O 2.86Å; Q549-P577 HydrophobicContact CG-CG 4.01Å; Q549-P577 PolarHBondContact NE2-O 3.4Å
550G78.5Confident79.9Confident57 Ų5750 Ų5059%0.58827%0.266SS*.THydrogen-bonded Turntrans66.9-116.8-174.200000112.1
551K75Confident78.7Confident207 Ų20753 Ų5390%0.928%0.281SS*.THydrogen-bonded Turntrans-94.6-12.7176-69-172.3178.7-176.20113.7Q549Q549-K551 PolarHBondContact O-N 2.8Å
552N78.2Confident77.9Confident124 Ų12452.2 Ų52.266%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-87.7132-179.2-70.4-5.8000109.6Q549Q549-N552 PolarHBondContact N-O 2.89Å; Q549-N552 PolarHBondContact O-N 3.34Å
553I83.1Confident77.2Confident52 Ų5258.2 Ų58.227%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-117.8135171.9-56.4175.9000106.7I547 K548 Y555I547-I553 CarbonylContact O-C 3.56Å; I547-I553 WeakPolarHBondContact O-CA 3.31Å; K548-I553 HydrophobicContact CB-CG1 4.48Å; K548-I553 HydrophobicContact CG-CG1 4.14Å; I553-Y555 HydrophobicContact CG2-CD1 4.27Å; I553-Y555 HydrophobicContact CG2-CE1 3.62Å; I553-Y555 HydrophobicContact CG2-CE2 4Å; I553-Y555 VanDerWaalsContact CG2-CZ 3.47Å
554T85.3Confident76.9Confident43 Ų4364.5 Ų64.526%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-125.6132.5174.5-58.30000108.3I547 K569I547-T554 PolarHBondContact N-O 3.47Å; I547-T554 PolarHBondContact O-N 2.78Å; T554-K569 HydrophobicContact CG2-CD 3.94Å
555Y85.5Confident76.9Confident34 Ų3466.5 Ų66.513%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-102.8142.6-178.2-56.9-76.5000110.5P543 Y545 I553 Y584 Q594 T598P543-Y555 HydrophobicContact CB-CD1 4.28Å; P543-Y555 HydrophobicContact CB-CG 4.39Å; P543-Y555 HydrophobicContact CG-CD1 4.02Å; P543-Y555 HydrophobicContact CG-CG 4.38Å; Y545-Y555 CarbonylContact O-C 3.48Å; Y545-Y555 WeakPolarHBondContact O-CA 3.5Å; I553-Y555 HydrophobicContact CG2-CD1 4.27Å; I553-Y555 HydrophobicContact CG2-CE1 3.62Å; I553-Y555 HydrophobicContact CG2-CE2 4Å; I553-Y555 VanDerWaalsContact CG2-CZ 3.47Å; Y555-Y584 HydrophobicContact CD1-CE2 4.11Å; Y555-Y584 HydrophobicContact CE1-CE2 4.1Å; Y555-Q594 VanDerWaalsContact OH-CG 3.24Å; Y555-Q594 WeakPolarHBondContact OH-CG 3.26Å; Y555-Q594 PolarHBondContact OH-NE2 3.13Å; Y555-T598 HydrophobicContact CD1-CG2 4.05Å; Y555-T598 HydrophobicContact CD2-CG2 3.41Å; Y555-T598 VanDerWaalsContact CD2-CG2 3.41Å; Y555-T598 HydrophobicContact CE1-CG2 4.2Å; Y555-T598 HydrophobicContact CE2-CG2 3.59Å; Y555-T598 HydrophobicContact CG-CG2 3.65Å
556I83.4Confident76.8Confident0 Ų066.5 Ų66.50%034%0.344CS..EExtended strand (participates in β ladder)trans-104.5121.8171.6-53.7-59.5000107.6P543 L544 Y545 I547 A562 E565 L566 K569P543-I556 CarbonylContact C-O 3.54Å; P543-I556 WeakPolarHBondContact CA-O 2.92Å; L544-I556 PolarHBondContact N-O 3.16Å; Y545-I556 HydrophobicContact CD2-CB 4.15Å; Y545-I556 HydrophobicContact CD2-CG2 4.27Å; Y545-I556 PolarHBondContact O-N 2.61Å; I547-I556 HydrophobicContact CD1-CD1 4.12Å; I547-I556 HydrophobicContact CD1-CG1 4.22Å; I556-A562 HydrophobicContact CG2-CB 4.04Å; I556-E565 HydrophobicContact CD1-CG 4.22Å; I556-E565 HydrophobicContact CG2-CB 4.31Å; I556-L566 HydrophobicContact CG1-CB 4.36Å; I556-L566 HydrophobicContact CG1-CD1 4.22Å; I556-K569 HydrophobicContact CD1-CB 4.25Å; I556-K569 HydrophobicContact CD1-CG 3.86Å
557Q75.8Confident76.6Confident57 Ų5769.2 Ų69.227%0.26637%0.365SS..  trans-78.1154-177.9-65.7-64.71.200111.2G559Q557-G559 PolarHBondContact O-N 3.3Å
558P69.2Low76.4Confident26 Ų2674.5 Ų74.517%0.16939%0.39CS..SBendtrans-63.4130.4174.723.6-30.7000111.8Q541 P542 L544Q541-P558 HydrophobicContact CB-CG 3.95Å; P542-P558 VanDerWaalsContact O-CD 3.27Å; P542-P558 WeakPolarHBondContact O-CD 3.48Å; P542-P558 WeakPolarHBondContact O-CG 3.48Å; L544-P558 HydrophobicContact CD1-CB 4Å; L544-P558 HydrophobicContact CG-CB 4.06Å
559G65.3Low76.4Confident40 Ų4072.5 Ų72.541%0.41238%0.381SS..SBendtrans176.9164.2-17900000112.1Q557 N561 A562Q557-G559 PolarHBondContact O-N 3.3Å; G559-N561 PolarHBondContact O-N 2.89Å; G559-A562 WeakPolarHBondContact O-CB 3.35Å; G559-A562 PolarHBondContact O-N 3.06Å
560K57.6Low76.4Confident140 Ų14073.9 Ų73.961%0.60939%0.389SS*.THydrogen-bonded Turntrans-58.3-32-178.3-165.9-177179.3-166.40112.9L642K560-L642 WeakPolarHBondContact CD-O 3.48Å
561N64.8Low76.5Confident72 Ų7275.6 Ų75.639%0.38539%0.392SS..THydrogen-bonded Turntrans-96.211.6-178.5-54-12.1000112G559 E563 E564 E565G559-N561 PolarHBondContact O-N 2.89Å; N561-E563 VanDerWaalsContact C-N 3.28Å; N561-E563 PolarHBondContact O-N 3.37Å; N561-E564 PolarHBondContact O-N 3.13Å; N561-E564 VanDerWaalsContact O-N 3.08Å; N561-E565 WeakPolarHBondContact O-CB 3.5Å; N561-E565 PolarHBondContact O-N 3.03Å
562A67.9Low76.8Confident5 Ų571.6 Ų71.64%0.04138%0.377CS..Hα-helixtrans-60.4-35.5-174.900000113L544 I556 G559 L566L544-A562 HydrophobicContact CD1-CB 3.74Å; I556-A562 HydrophobicContact CG2-CB 4.04Å; G559-A562 WeakPolarHBondContact O-CB 3.35Å; G559-A562 PolarHBondContact O-N 3.06Å; A562-L566 WeakPolarHBondContact O-CB 3.39Å; A562-L566 PolarHBondContact O-N 3.18Å
563E71.7Confident76.9Confident144 Ų14468.1 Ų68.167%0.67336%0.358SS*.Hα-helixtrans-70.3-38.5174.8-67.9-167175.800112.4N561 A567N561-E563 VanDerWaalsContact C-N 3.28Å; N561-E563 PolarHBondContact O-N 3.37Å; E563-A567 WeakPolarHBondContact O-CB 3.42Å; E563-A567 PolarHBondContact O-N 3.24Å
564E76Confident76.4Confident134 Ų13469.5 Ų69.563%0.62637%0.37SS*.Hα-helixtrans-68.1-41.8175.7-67177172.900111.1N561 A567 Q568N561-E564 PolarHBondContact O-N 3.13Å; N561-E564 VanDerWaalsContact O-N 3.08Å; E564-A567 PolarHBondContact O-N 3.48Å; E564-Q568 VanDerWaalsContact O-CB 3.29Å; E564-Q568 WeakPolarHBondContact O-CB 3.34Å; E564-Q568 PolarHBondContact O-N 2.74Å
565E80.1Confident75.7Confident84 Ų8472.1 Ų72.139%0.39340%0.396SS..Hα-helixtrans-65.4-40.3176.5-163.6-177.5-173.900111.1I556 N561 Q568 K569I556-E565 HydrophobicContact CD1-CG 4.22Å; I556-E565 HydrophobicContact CG2-CB 4.31Å; N561-E565 WeakPolarHBondContact O-CB 3.5Å; N561-E565 PolarHBondContact O-N 3.03Å; E565-Q568 PolarHBondContact O-N 3.15Å; E565-K569 VanDerWaalsContact O-CB 3.27Å; E565-K569 WeakPolarHBondContact O-CB 2.9Å; E565-K569 WeakPolarHBondContact O-CG 3.4Å; E565-K569 PolarHBondContact O-N 2.96Å
566L80.6Confident75Confident24 Ų2475.4 Ų75.413%0.12642%0.424CS..Hα-helixtrans-59.7-50.1170.8175.865000111Y545 I547 I556 A562 Q568 K569 I570 V581Y545-L566 HydrophobicContact CD1-CD2 4Å; Y545-L566 HydrophobicContact CD2-CD2 4.07Å; Y545-L566 HydrophobicContact CE1-CD2 3.99Å; Y545-L566 HydrophobicContact CE2-CD2 4.06Å; Y545-L566 HydrophobicContact CG-CD1 4.32Å; Y545-L566 HydrophobicContact CG-CD2 4.05Å; I547-L566 HydrophobicContact CD1-CD1 3.82Å; I547-L566 HydrophobicContact CG1-CD1 3.98Å; I556-L566 HydrophobicContact CG1-CB 4.36Å; I556-L566 HydrophobicContact CG1-CD1 4.22Å; A562-L566 WeakPolarHBondContact O-CB 3.39Å; A562-L566 PolarHBondContact O-N 3.18Å; L566-Q568 VanDerWaalsContact C-N 3.35Å; L566-Q568 PolarHBondContact O-N 2.82Å; L566-K569 PolarHBondContact O-N 3.3Å; L566-I570 HydrophobicContact CD1-CD1 3.73Å; L566-I570 HydrophobicContact CD1-CG1 4.21Å; L566-I570 HydrophobicContact CG-CD1 3.84Å; L566-I570 WeakPolarHBondContact O-CB 3.29Å; L566-I570 WeakPolarHBondContact O-CG1 3.12Å; L566-I570 PolarHBondContact O-N 2.92Å; L566-V581 HydrophobicContact CD1-CG1 3.92Å; L566-V581 HydrophobicContact CD2-CG1 4.46Å
567A79.8Confident74.4Confident59 Ų5979.2 Ų79.249%0.48845%0.449SS..Hα-helixtrans-61.7-43179.300000111.8E563 E564 I570 S571E563-A567 WeakPolarHBondContact O-CB 3.42Å; E563-A567 PolarHBondContact O-N 3.24Å; E564-A567 PolarHBondContact O-N 3.48Å; A567-I570 PolarHBondContact O-N 3.02Å; A567-S571 WeakPolarHBondContact O-CB 3.4Å; A567-S571 PolarHBondContact O-N 3.33Å
568Q82.6Confident74.3Confident115 Ų11585.4 Ų85.454%0.53748%0.475SS..Hα-helixtrans-62.3-51176.8-175.8177.9-7.900111.1E564 E565 L566 I570 S571 E572E564-Q568 VanDerWaalsContact O-CB 3.29Å; E564-Q568 WeakPolarHBondContact O-CB 3.34Å; E564-Q568 PolarHBondContact O-N 2.74Å; E565-Q568 PolarHBondContact O-N 3.15Å; L566-Q568 VanDerWaalsContact C-N 3.35Å; L566-Q568 PolarHBondContact O-N 2.82Å; Q568-I570 VanDerWaalsContact C-N 3.32Å; Q568-I570 PolarHBondContact O-N 3.17Å; Q568-S571 WeakPolarHBondContact O-CB 3.48Å; Q568-S571 PolarHBondContact O-N 3.48Å; Q568-S571 PolarHBondContact O-OG 2.73Å; Q568-E572 PolarHBondContact NE2-OE1 3.24Å; Q568-E572 WeakPolarHBondContact O-CG 3.35Å; Q568-E572 PolarHBondContact O-N 2.82Å
569K82.1Confident74.7Confident70 Ų7085.4 Ų85.430%0.30448%0.475SS..Hα-helixtrans-59.5-40.1177.5-82.9-85-172.4177.40112.6I547 T554 I556 E565 L566 S571 E572 L573I547-K569 HydrophobicContact CD1-CB 3.66Å; T554-K569 HydrophobicContact CG2-CD 3.94Å; I556-K569 HydrophobicContact CD1-CB 4.25Å; I556-K569 HydrophobicContact CD1-CG 3.86Å; E565-K569 VanDerWaalsContact O-CB 3.27Å; E565-K569 WeakPolarHBondContact O-CB 2.9Å; E565-K569 WeakPolarHBondContact O-CG 3.4Å; E565-K569 PolarHBondContact O-N 2.96Å; L566-K569 PolarHBondContact O-N 3.3Å; K569-S571 VanDerWaalsContact C-N 3.31Å; K569-E572 PolarHBondContact O-N 3.44Å; K569-L573 VanDerWaalsContact O-CG 3.32Å; K569-L573 WeakPolarHBondContact O-CG 3.47Å; K569-L573 PolarHBondContact O-N 3.43Å
570I81.4Confident75.4Confident64 Ų6488.6 Ų88.633%0.32848%0.482SS..Hα-helixtrans-64.4-38.7175.3-69.6168.4000110.7I547 L566 A567 Q568 E572 L573 V581I547-I570 HydrophobicContact CD1-CG1 4.37Å; L566-I570 HydrophobicContact CD1-CD1 3.73Å; L566-I570 HydrophobicContact CD1-CG1 4.21Å; L566-I570 HydrophobicContact CG-CD1 3.84Å; L566-I570 WeakPolarHBondContact O-CB 3.29Å; L566-I570 WeakPolarHBondContact O-CG1 3.12Å; L566-I570 PolarHBondContact O-N 2.92Å; A567-I570 PolarHBondContact O-N 3.02Å; Q568-I570 VanDerWaalsContact C-N 3.32Å; Q568-I570 PolarHBondContact O-N 3.17Å; I570-E572 VanDerWaalsContact C-N 3.33Å; I570-E572 PolarHBondContact O-N 3.29Å; I570-L573 PolarHBondContact O-N 3.26Å; I570-V581 HydrophobicContact CD1-CG2 3.8Å; I570-V581 HydrophobicContact CG1-CG2 4.25Å
571S81Confident76.6Confident94 Ų9484.7 Ų84.766%0.65747%0.47SS*.Hα-helixtrans-69.5-26.8179.378.60000114A567 Q568 K569 L573A567-S571 WeakPolarHBondContact O-CB 3.4Å; A567-S571 PolarHBondContact O-N 3.33Å; Q568-S571 WeakPolarHBondContact O-CB 3.48Å; Q568-S571 PolarHBondContact O-N 3.48Å; Q568-S571 PolarHBondContact O-OG 2.73Å; K569-S571 VanDerWaalsContact C-N 3.31Å; S571-L573 VanDerWaalsContact C-N 3.34Å
572E82.3Confident77.4Confident122 Ų12285.3 Ų85.357%0.5747%0.471SS*.Hα-helixtrans-77.6-19.1176.4-70.6172.8-174.600112.8Q568 K569 I570Q568-E572 PolarHBondContact NE2-OE1 3.24Å; Q568-E572 WeakPolarHBondContact O-CG 3.35Å; Q568-E572 PolarHBondContact O-N 2.82Å; K569-E572 PolarHBondContact O-N 3.44Å; I570-E572 VanDerWaalsContact C-N 3.33Å; I570-E572 PolarHBondContact O-N 3.29Å
573L78.9Confident77.8Confident52 Ų5291 Ų9127%0.27249%0.491SS..SBendtrans-87.4139.9-178-66.1168.4000111.7I547 K569 I570 S571 P579I547-L573 HydrophobicContact CG2-CD1 3.61Å; K569-L573 VanDerWaalsContact O-CG 3.32Å; K569-L573 WeakPolarHBondContact O-CG 3.47Å; K569-L573 PolarHBondContact O-N 3.43Å; I570-L573 PolarHBondContact O-N 3.26Å; S571-L573 VanDerWaalsContact C-N 3.34Å; L573-P579 HydrophobicContact CD1-CB 4.14Å
574P72.5Confident78.1Confident81 Ų8184.8 Ų84.853%0.52646%0.462SS..  trans-63.4142.7176.422.9-30.4000111.7Q549 S576Q549-P574 PolarHBondContact NE2-O 2.86Å; P574-S576 PolarHBondContact O-N 3.23Å
575A70.4Confident77.6Confident97 Ų9782.1 Ų82.180%0.80245%0.448SS*.SBendtrans-61.9-16-174.900000115.1
576S71.7Confident77.1Confident103 Ų10378.7 Ų78.772%0.7244%0.435SS*.SBendtrans-138.3130177.1-162.80000111.3P574P574-S576 PolarHBondContact O-N 3.23Å
577P70.7Confident76.9Confident80 Ų8077.7 Ų77.752%0.51943%0.43SS..SBendcis-68.9146.5-2.428.4-32.2000111.9Q549 P579Q549-P577 HydrophobicContact CG-CG 4.01Å; Q549-P577 PolarHBondContact NE2-O 3.4Å; P577-P579 WeakPolarHBondContact O-CD 3.47Å
578K73.9Confident76.5Confident187 Ų18776.6 Ų76.681%0.81343%0.425SS*.PPolyproline II helixtrans-55.9121.6-178.4-173.4177.3-180-176.50109.5N580K578-N580 PolarHBondContact O-N 2.76Å
579P77.3Confident76.2Confident27 Ų2775.4 Ų75.418%0.17542%0.419CS..PPolyproline II helixtrans-62.4133.6176.722.4-29.6000110I547 L573 P577I547-P579 HydrophobicContact CG2-CB 4.01Å; L573-P579 HydrophobicContact CD1-CB 4.14Å; P577-P579 WeakPolarHBondContact O-CD 3.47Å
580N81.1Confident76.2Confident106 Ų10672.2 Ų72.257%0.56741%0.405SS*.EExtended strand (participates in β ladder)trans-94.9117174.3-1740.9000108.5K548 K578K548-N580 HydrophobicContact CB-CB 4.48Å; K548-N580 PolarHBondContact N-O 3.06Å; K548-N580 PolarHBondContact O-N 2.83Å; K578-N580 PolarHBondContact O-N 2.76Å
581V81.9Confident76.3Confident58 Ų5873.7 Ų73.735%0.35241%0.414SS..EExtended strand (participates in β ladder)trans-100.5118179.3-179.10000107.7Y545 L566 I570Y545-V581 HydrophobicContact CD1-CG1 4.29Å; L566-V581 HydrophobicContact CD1-CG1 3.92Å; L566-V581 HydrophobicContact CD2-CG1 4.46Å; I570-V581 HydrophobicContact CD1-CG2 3.8Å; I570-V581 HydrophobicContact CG1-CG2 4.25Å
582Q80.9Confident76.5Confident85 Ų8572.1 Ų72.140%0.39740%0.398SS..EExtended strand (participates in β ladder)trans-107.7126.6173.7-177.6174.7-3.200108.5Y545 G546 Y584Y545-Q582 CarbonylContact C-O 3.57Å; Y545-Q582 WeakPolarHBondContact CA-O 3.4Å; G546-Q582 PolarHBondContact N-O 3.31Å; G546-Q582 PolarHBondContact O-N 3.09Å; Q582-Y584 HydrophobicContact CG-CE1 4.41Å
583R77.8Confident76.7Confident126 Ų12670.8 Ų70.848%0.47539%0.392SS..EExtended strand (participates in β ladder)trans-89.8120.4168.7-176.4177.4-177.5170.24.9108.3Y545Y545-R583 HydrophobicContact CD1-CB 3.86Å; Y545-R583 HydrophobicContact CD1-CG 4.01Å; Y545-R583 HydrophobicContact CE1-CB 3.84Å; Y545-R583 HydrophobicContact CE1-CG 3.69Å
584Y76.5Confident77.1Confident12 Ų1269 Ų695%0.04738%0.382CS..  trans-79.3126.1177.4-68.5-69.2000109.5P543 L544 Y555 Q582 E589 M590 Q594P543-Y584 HydrophobicContact CG-CD2 4.43Å; L544-Y584 PolarHBondContact O-N 3.18Å; Y555-Y584 HydrophobicContact CD1-CE2 4.11Å; Y555-Y584 HydrophobicContact CE1-CE2 4.1Å; Q582-Y584 HydrophobicContact CG-CE1 4.41Å; Y584-E589 HydrophobicContact CD1-CB 4.08Å; Y584-M590 HydrophobicContact CD1-CG 3.72Å; Y584-M590 HydrophobicContact CE1-CG 3.69Å; Y584-M590 HydrophobicContact CG-CG 4.28Å; Y584-Q594 PolarHBondContact OH-NE2 3.24Å
585K66.6Low77.8Confident78 Ų7865.1 Ų65.134%0.33936%0.357SS..  trans-105.5-39.7174.5-68.1-170.8174.1-168.30112.1A509 E589 Y790A509-K585 PolarHBondContact N-O 3.23Å; K585-E589 PolarHBondContact N-OE2 3.48Å; K585-Y790 WeakPolarHBondContact CE-O 3.11Å; K585-Y790 PolarHBondContact NZ-O 2.95Å
586G69.2Low78.7Confident12 Ų1264 Ų6412%0.12433%0.332CS..SBendtrans-123.6149.2176.100000112.8D508 G588 E589D508-G586 VanDerWaalsContact CG-CA 3.43Å; D508-G586 WeakPolarHBondContact OD1-CA 3.38Å; G586-G588 PolarHBondContact O-N 3.01Å; G586-E589 WeakPolarHBondContact O-CB 3.27Å; G586-E589 PolarHBondContact O-N 3.48Å; G586-E589 VanDerWaalsContact O-N 3.1Å
587L76.2Confident79.4Confident3 Ų363.8 Ų63.82%0.01632%0.32CS..G310 helixtrans-61.5-24.4175.6-65.4165.9000112.1A439 M506 D508 P542 E589 M590 L595A439-L587 HydrophobicContact CB-CB 3.71Å; A439-L587 HydrophobicContact CB-CD1 4.34Å; M506-L587 HydrophobicContact CE-CD1 4.39Å; M506-L587 HydrophobicContact CG-CD1 3.73Å; M506-L587 HydrophobicContact CG-CD2 4.39Å; D508-L587 WeakPolarHBondContact OD1-CB 3.42Å; D508-L587 VanDerWaalsContact OD1-CG 3.29Å; D508-L587 WeakPolarHBondContact OD1-CG 3.43Å; D508-L587 PolarHBondContact OD1-N 3.25Å; P542-L587 HydrophobicContact CB-CD2 3.75Å; P542-L587 HydrophobicContact CG-CD2 3.93Å; L587-E589 PolarHBondContact O-N 3.41Å; L587-M590 PolarHBondContact O-N 2.97Å; L587-L595 HydrophobicContact CD2-CD1 3.86Å
588G72.3Confident80.1Confident37 Ų3760.2 Ų60.238%0.38130%0.296SS..G310 helixtrans-69.8-13.117600000114.8G586 M590G586-G588 PolarHBondContact O-N 3.01Å; G588-M590 VanDerWaalsContact C-N 3.3Å
589E75.5Confident80.7Confident89 Ų8951.3 Ų51.342%0.41626%0.257SS..G310 helixtrans-82-11.9174.3-63.3174.3-171.300112.7Y584 K585 G586 L587Y584-E589 HydrophobicContact CD1-CB 4.08Å; K585-E589 PolarHBondContact N-OE2 3.48Å; G586-E589 WeakPolarHBondContact O-CB 3.27Å; G586-E589 PolarHBondContact O-N 3.48Å; G586-E589 VanDerWaalsContact O-N 3.1Å; L587-E589 PolarHBondContact O-N 3.41Å
590M81.4Confident81.3Confident3 Ų350 Ų502%0.01525%0.249CC..SBendtrans-93.9131.7179.5-59.8-17975.300110.2P543 Y584 L587 G588 Q594 L595 T598P543-M590 HydrophobicContact CG-CE 3.66Å; P543-M590 HydrophobicContact CG-SD 4.36Å; Y584-M590 HydrophobicContact CD1-CG 3.72Å; Y584-M590 HydrophobicContact CE1-CG 3.69Å; Y584-M590 HydrophobicContact CG-CG 4.28Å; L587-M590 PolarHBondContact O-N 2.97Å; G588-M590 VanDerWaalsContact C-N 3.3Å; M590-Q594 HydrophobicContact CB-CB 4.28Å; M590-Q594 HydrophobicContact CE-CB 4Å; M590-L595 HydrophobicContact SD-CD1 4.28Å; M590-T598 HydrophobicContact CE-CG2 4.33Å; M590-T598 VanDerWaalsContact CE-OG1 3.27Å; M590-T598 WeakPolarHBondContact CE-OG1 3.29Å
591D83.6Confident81.7Confident95 Ų9545.9 Ų45.951%0.50823%0.227SC..  trans-65157.6169-68.8-35.1000110H593 Q594 L595D591-H593 VanDerWaalsContact C-N 3.3Å; D591-H593 WeakPolarHBondContact CB-CE1 3.03Å; D591-H593 WeakPolarHBondContact CB-ND1 3.37Å; D591-H593 PolarHBondContact O-N 3.32Å; D591-H593 IonicContact OD2-CE1 3.53Å; D591-Q594 HydrophobicContact CB-CG 4.12Å; D591-Q594 WeakPolarHBondContact O-CB 3.43Å; D591-Q594 PolarHBondContact O-N 2.84Å; D591-L595 PolarHBondContact O-N 2.89Å
592D85.6Confident81.8Confident62 Ų6245.7 Ų45.733%0.33223%0.227SC..Hα-helixtrans-52.9-41.7-178.861-20.8000114Q445 W596Q445-D592 HydrophobicContact CB-CB 3.87Å; D592-W596 PolarHBondContact O-N 2.82Å; D592-W596 VanDerWaalsContact O-N 3.08Å
593H86.3Confident81.9Confident94 Ų9449 Ų4944%0.43524%0.243SC..Hα-helixtrans-67.7-35.9176.270.4-78.5000113.2D591 W596 E597D591-H593 VanDerWaalsContact C-N 3.3Å; D591-H593 WeakPolarHBondContact CB-CE1 3.03Å; D591-H593 WeakPolarHBondContact CB-ND1 3.37Å; D591-H593 PolarHBondContact O-N 3.32Å; D591-H593 IonicContact OD2-CE1 3.53Å; H593-W596 PolarHBondContact O-N 3.34Å; H593-E597 WeakPolarHBondContact O-CB 3.37Å; H593-E597 PolarHBondContact O-N 3.1Å
594Q87.6Confident82.1Confident14 Ų1447.1 Ų47.17%0.06524%0.242CC..Hα-helixtrans-69-42.6178.1-55.9-175-51.300110.4Y555 Y584 M590 D591 W596 E597 T598Y555-Q594 VanDerWaalsContact OH-CG 3.24Å; Y555-Q594 WeakPolarHBondContact OH-CG 3.26Å; Y555-Q594 PolarHBondContact OH-NE2 3.13Å; Y584-Q594 PolarHBondContact OH-NE2 3.24Å; M590-Q594 HydrophobicContact CB-CB 4.28Å; M590-Q594 HydrophobicContact CE-CB 4Å; D591-Q594 HydrophobicContact CB-CG 4.12Å; D591-Q594 WeakPolarHBondContact O-CB 3.43Å; D591-Q594 PolarHBondContact O-N 2.84Å; Q594-W596 VanDerWaalsContact C-N 3.32Å; Q594-W596 PolarHBondContact O-N 3.38Å; Q594-E597 PolarHBondContact O-N 2.9Å; Q594-T598 WeakPolarHBondContact O-CB 3.3Å; Q594-T598 VanDerWaalsContact O-CG2 3.29Å; Q594-T598 WeakPolarHBondContact O-CG2 3.1Å; Q594-T598 PolarHBondContact O-N 2.7Å; Q594-T598 VanDerWaalsContact O-N 3.12Å; Q594-T598 PolarHBondContact O-OG1 3.02Å
595L87.7Confident82.5Confident0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-64-39.6178.3-168.968.5000111.4A443 M506 L587 M590 D591 T599 M600A443-L595 HydrophobicContact CB-CD2 3.97Å; M506-L595 HydrophobicContact CE-CD2 4.33Å; M506-L595 HydrophobicContact SD-CD1 4.48Å; L587-L595 HydrophobicContact CD2-CD1 3.86Å; M590-L595 HydrophobicContact SD-CD1 4.28Å; D591-L595 PolarHBondContact O-N 2.89Å; L595-T599 WeakPolarHBondContact O-CB 3.05Å; L595-T599 PolarHBondContact O-N 2.58Å; L595-T599 VanDerWaalsContact O-N 3.07Å; L595-M600 HydrophobicContact CD2-SD 3.92Å; L595-M600 HydrophobicContact CG-CG 4.24Å; L595-M600 HydrophobicContact CG-SD 3.93Å; L595-M600 PolarHBondContact O-N 2.87Å; L595-M600 VanDerWaalsContact O-N 3.13Å
596W89.8Confident83.4Confident74 Ų7444.6 Ų44.628%0.2823%0.232SC..Iπ-helixtrans-59.9-59.5171.8174.5-98.8000111.8D592 H593 Q594 T598 M600 D601D592-W596 PolarHBondContact O-N 2.82Å; D592-W596 VanDerWaalsContact O-N 3.08Å; H593-W596 PolarHBondContact O-N 3.34Å; Q594-W596 VanDerWaalsContact C-N 3.32Å; Q594-W596 PolarHBondContact O-N 3.38Å; W596-T598 PolarHBondContact O-N 2.79Å; W596-T598 VanDerWaalsContact O-N 3.15Å; W596-M600 HydrophobicContact CE3-CB 4.02Å; W596-M600 HydrophobicContact CZ3-CB 4.48Å; W596-M600 PolarHBondContact O-N 2.98Å; W596-D601 HydrophobicContact CD2-CB 4.09Å; W596-D601 HydrophobicContact CG-CB 4.48Å; W596-D601 HydrophobicContact CH2-CB 4.41Å; W596-D601 HydrophobicContact CZ2-CB 3.9Å; W596-D601 WeakPolarHBondContact O-CB 3.24Å; W596-D601 PolarHBondContact O-N 2.99Å
597E86.3Confident84.2Confident98 Ų9844 Ų4446%0.45823%0.226SC..Iπ-helixtrans-58.5-30.9-173.3-174.7178.8-170.500113.3H593 Q594 N604H593-E597 WeakPolarHBondContact O-CB 3.37Å; H593-E597 PolarHBondContact O-N 3.1Å; Q594-E597 PolarHBondContact O-N 2.9Å; E597-N604 VanDerWaalsContact O-CB 3.29Å; E597-N604 WeakPolarHBondContact O-CB 3.22Å
598T84.9Confident84.8Confident4 Ų444.4 Ų44.43%0.02523%0.228CC..Iπ-helixtrans-104.8-34.5-170.460.80000114.3P543 Y555 M590 Q594 W596P543-T598 HydrophobicContact CG-CG2 4.04Å; Y555-T598 HydrophobicContact CD1-CG2 4.05Å; Y555-T598 HydrophobicContact CD2-CG2 3.41Å; Y555-T598 VanDerWaalsContact CD2-CG2 3.41Å; Y555-T598 HydrophobicContact CE1-CG2 4.2Å; Y555-T598 HydrophobicContact CE2-CG2 3.59Å; Y555-T598 HydrophobicContact CG-CG2 3.65Å; M590-T598 HydrophobicContact CE-CG2 4.33Å; M590-T598 VanDerWaalsContact CE-OG1 3.27Å; M590-T598 WeakPolarHBondContact CE-OG1 3.29Å; Q594-T598 WeakPolarHBondContact O-CB 3.3Å; Q594-T598 VanDerWaalsContact O-CG2 3.29Å; Q594-T598 WeakPolarHBondContact O-CG2 3.1Å; Q594-T598 PolarHBondContact O-N 2.7Å; Q594-T598 VanDerWaalsContact O-N 3.12Å; Q594-T598 PolarHBondContact O-OG1 3.02Å; W596-T598 PolarHBondContact O-N 2.79Å; W596-T598 VanDerWaalsContact O-N 3.15Å
599T86.5Confident85.7Confident0 Ų047.1 Ų47.10%023%0.227CC..Iπ-helixtrans-126.8-31.8-163.6-45.80000112.9M506 A540 P542 L595 R605M506-T599 HydrophobicContact CG-CG2 4.48Å; M506-T599 HydrophobicContact SD-CG2 4.1Å; A540-T599 HydrophobicContact CB-CG2 3.8Å; P542-T599 WeakPolarHBondContact CA-OG1 3.31Å; P542-T599 HydrophobicContact CB-CG2 4.17Å; L595-T599 WeakPolarHBondContact O-CB 3.05Å; L595-T599 PolarHBondContact O-N 2.58Å; L595-T599 VanDerWaalsContact O-N 3.07Å; T599-R605 VanDerWaalsContact O-CB 3.24Å; T599-R605 WeakPolarHBondContact O-CB 3.48Å
600M89Confident86.4Confident0 Ų042.9 Ų42.90%021%0.207CC..Iπ-helixtrans-104.1-29.1-172.2-56.5-177.267.700114.2F432 A443 R447 Q452 I454 M506 L595 W596 P602 R605F432-M600 HydrophobicContact CD1-CE 4.37Å; F432-M600 HydrophobicContact CD2-CE 4.34Å; F432-M600 HydrophobicContact CE1-CB 4.48Å; F432-M600 HydrophobicContact CE1-CE 4.39Å; F432-M600 HydrophobicContact CE1-CG 4.13Å; F432-M600 HydrophobicContact CE2-CE 4.39Å; F432-M600 HydrophobicContact CG-CE 4.34Å; F432-M600 HydrophobicContact CZ-CB 4.38Å; F432-M600 HydrophobicContact CZ-CE 4.4Å; F432-M600 HydrophobicContact CZ-CG 4.47Å; A443-M600 HydrophobicContact CB-CE 4.33Å; A443-M600 HydrophobicContact CB-SD 4.19Å; R447-M600 HydrophobicContact CB-CE 3.62Å; Q452-M600 PolarHBondContact NE2-O 2.83Å; I454-M600 HydrophobicContact CD1-CE 3.85Å; M506-M600 HydrophobicContact SD-CG 4.34Å; L595-M600 HydrophobicContact CD2-SD 3.92Å; L595-M600 HydrophobicContact CG-CG 4.24Å; L595-M600 HydrophobicContact CG-SD 3.93Å; L595-M600 PolarHBondContact O-N 2.87Å; L595-M600 VanDerWaalsContact O-N 3.13Å; W596-M600 HydrophobicContact CE3-CB 4.02Å; W596-M600 HydrophobicContact CZ3-CB 4.48Å; W596-M600 PolarHBondContact O-N 2.98Å; M600-P602 WeakPolarHBondContact O-CD 3.47Å; M600-R605 PolarHBondContact O-NH1 2.78Å; M600-R605 VanDerWaalsContact O-NH1 3.14Å
601D89.4Confident86.6Confident19 Ų1944.2 Ų44.210%0.10222%0.216CC..  trans-68.7118.2-177.8-178.35.6000111.9W596 E603 N604 R605W596-D601 HydrophobicContact CD2-CB 4.09Å; W596-D601 HydrophobicContact CG-CB 4.48Å; W596-D601 HydrophobicContact CH2-CB 4.41Å; W596-D601 HydrophobicContact CZ2-CB 3.9Å; W596-D601 WeakPolarHBondContact O-CB 3.24Å; W596-D601 PolarHBondContact O-N 2.99Å; D601-E603 PolarHBondContact O-N 3.19Å; D601-E603 VanDerWaalsContact O-N 3.09Å; D601-E603 PolarHBondContact OD1-N 2.7Å; D601-E603 VanDerWaalsContact OD1-N 3.16Å; D601-N604 PolarHBondContact O-N 3.06Å; D601-N604 VanDerWaalsContact O-N 3.13Å; D601-N604 PolarHBondContact OD2-ND2 3.08Å; D601-R605 WeakPolarHBondContact O-CB 3.44Å; D601-R605 WeakPolarHBondContact O-CD 3.48Å; D601-R605 WeakPolarHBondContact O-CG 3.39Å; D601-R605 PolarHBondContact O-N 2.72Å
602P85.6Confident86.5Confident54 Ų5441.2 Ų41.235%0.35120%0.202SC..THydrogen-bonded Turntrans-54.7-25.6178.5-25.734.9000115.9F451 M600F451-P602 HydrophobicContact CE2-CG 3.91Å; F451-P602 HydrophobicContact CZ-CG 3.73Å; M600-P602 WeakPolarHBondContact O-CD 3.47Å
603E82.7Confident86Confident155 Ų15543.6 Ų43.672%0.72422%0.215SC*.THydrogen-bonded Turntrans-76-31.6179.7-64.7-170.4170.800112.8D601 N648D601-E603 PolarHBondContact O-N 3.19Å; D601-E603 VanDerWaalsContact O-N 3.09Å; D601-E603 PolarHBondContact OD1-N 2.7Å; D601-E603 VanDerWaalsContact OD1-N 3.16Å; E603-N648 PolarHBondContact O-ND2 3.14Å; E603-N648 VanDerWaalsContact O-ND2 3.15Å
604N81.2Confident85.5Confident87 Ų8742.4 Ų42.447%0.46521%0.211SC..THydrogen-bonded Turntrans-117.6-21.8-168.4-65.5-55.4000114.3E597 D601E597-N604 VanDerWaalsContact O-CB 3.29Å; E597-N604 WeakPolarHBondContact O-CB 3.22Å; D601-N604 PolarHBondContact O-N 3.06Å; D601-N604 VanDerWaalsContact O-N 3.13Å; D601-N604 PolarHBondContact OD2-ND2 3.08Å
605R86Confident84.9Confident10 Ų1043.4 Ų43.44%0.03822%0.222CC..  trans-69.3148-174.571.8-170.1179.3-173.21.7112.5E430 T599 M600 D601 M607E430-R605 IonicContact OE1-CZ 3.4Å; E430-R605 IonicContact OE1-NH1 2.77Å; E430-R605 PolarHBondContact OE1-NH1 2.9Å; E430-R605 IonicContact OE1-NH2 2.99Å; E430-R605 PolarHBondContact OE1-NH2 3.46Å; E430-R605 IonicContact OE2-CZ 3.34Å; E430-R605 IonicContact OE2-NH1 3.07Å; E430-R605 PolarHBondContact OE2-NH1 2.82Å; E430-R605 IonicContact OE2-NH2 3.21Å; T599-R605 VanDerWaalsContact O-CB 3.24Å; T599-R605 WeakPolarHBondContact O-CB 3.48Å; M600-R605 PolarHBondContact O-NH1 2.78Å; M600-R605 VanDerWaalsContact O-NH1 3.14Å; D601-R605 WeakPolarHBondContact O-CB 3.44Å; D601-R605 WeakPolarHBondContact O-CD 3.48Å; D601-R605 WeakPolarHBondContact O-CG 3.39Å; D601-R605 PolarHBondContact O-N 2.72Å; R605-M607 HydrophobicContact CG-CG 4.23Å; R605-M607 VanDerWaalsContact NE-CE 3.32Å
606L84.5Confident84.1Confident26 Ų2646.9 Ų46.914%0.13624%0.24CC..  trans-101.8133.3166.9-163.787.1000109.3Q541 N648Q541-L606 HydrophobicContact CB-CB 4.07Å; Q541-L606 HydrophobicContact CB-CD2 3.97Å; Q541-L606 HydrophobicContact CB-CG 4.41Å; Q541-L606 WeakPolarHBondContact CB-O 3.42Å; Q541-L606 HydrophobicContact CG-CD2 4.09Å; Q541-L606 PolarHBondContact N-O 2.89Å; L606-N648 WeakPolarHBondContact CA-O 3.2Å
607M86.7Confident83.3Confident1 Ų146.4 Ų46.41%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-135.2147.4176.5-65.8-171.8-60.100112.2V504 Y538 I539 R605 N648 I649 H650V504-M607 HydrophobicContact CG1-SD 4.49Å; V504-M607 HydrophobicContact CG2-SD 4.31Å; Y538-M607 HydrophobicContact CD1-CB 4.43Å; Y538-M607 HydrophobicContact CD1-CE 4.15Å; Y538-M607 HydrophobicContact CD1-SD 4.39Å; I539-M607 WeakPolarHBondContact O-CA 3.31Å; R605-M607 HydrophobicContact CG-CG 4.23Å; R605-M607 VanDerWaalsContact NE-CE 3.32Å; M607-N648 PolarHBondContact N-O 3.21Å; M607-I649 HydrophobicContact CE-CD1 3.8Å; M607-I649 HydrophobicContact CE-CG1 3.94Å; M607-I649 WeakPolarHBondContact O-CA 3.44Å; M607-H650 PolarHBondContact O-N 2.89Å
608L87.7Confident82.8Confident11 Ų1141.7 Ų41.76%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-101118.8167.6-51.9176.8000109.1Y538 I539 Q541 H650 V652Y538-L608 CarbonylContact C-O 3.58Å; Y538-L608 WeakPolarHBondContact CA-O 3.31Å; I539-L608 HydrophobicContact CB-CB 4.27Å; I539-L608 PolarHBondContact N-O 2.95Å; I539-L608 PolarHBondContact O-N 3.2Å; Q541-L608 HydrophobicContact CG-CD1 4.46Å; Q541-L608 HydrophobicContact CG-CG 4.05Å; L608-H650 CarbonylContact C-O 3.49Å; L608-H650 VanDerWaalsContact CA-O 3.28Å; L608-H650 WeakPolarHBondContact CA-O 3.27Å; L608-H650 HydrophobicContact CD2-CB 4.05Å; L608-V652 HydrophobicContact CB-CB 4.33Å; L608-V652 HydrophobicContact CB-CG1 3.78Å
609R91.4Very high82.3Confident94 Ų9444 Ų4436%0.35523%0.231SC..EExtended strand (participates in β ladder)trans-88.1125.6173.1-175.9174.768.1174.7-0.1108.9Y538 I649 H650 D651 V652Y538-R609 HydrophobicContact CD1-CB 3.86Å; Y538-R609 HydrophobicContact CD1-CG 4.13Å; Y538-R609 HydrophobicContact CE1-CB 3.71Å; Y538-R609 HydrophobicContact CE1-CG 3.67Å; R609-I649 HydrophobicContact CB-CG2 4Å; R609-H650 PolarHBondContact N-O 3.4Å; R609-D651 WeakPolarHBondContact CB-OD1 3.17Å; R609-D651 IonicContact CZ-OD1 3.27Å; R609-D651 IonicContact CZ-OD2 3.34Å; R609-D651 IonicContact NE-OD1 2.81Å; R609-D651 PolarHBondContact NE-OD1 2.55Å; R609-D651 IonicContact NH2-OD1 2.77Å; R609-D651 PolarHBondContact NH2-OD1 3.04Å; R609-D651 IonicContact NH2-OD2 3.3Å; R609-D651 PolarHBondContact NH2-OD2 3.09Å; R609-D651 CarbonylContact O-C 3.33Å; R609-D651 WeakPolarHBondContact O-CA 3.22Å; R609-V652 PolarHBondContact O-N 3.32Å
610V90.3Very high81.6Confident0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-85.5123.9-173.7-1790000110.3L521 V532 V537 I539 V652 L654L521-V610 HydrophobicContact CD2-CG1 4.26Å; L521-V610 HydrophobicContact CD2-CG2 4.07Å; V532-V610 HydrophobicContact CG1-CG1 4.05Å; V537-V610 HydrophobicContact CB-CB 4.2Å; V537-V610 HydrophobicContact CB-CG2 4.44Å; V537-V610 HydrophobicContact CG1-CB 4.27Å; V537-V610 HydrophobicContact CG1-CG2 4.02Å; V537-V610 PolarHBondContact O-N 3.44Å; I539-V610 HydrophobicContact CD1-CG2 3.77Å; I539-V610 HydrophobicContact CG1-CG2 4.05Å; V610-V652 WeakPolarHBondContact CA-O 3.49Å; V610-V652 HydrophobicContact CG2-CG1 4.25Å; V610-L654 HydrophobicContact CG1-CB 3.82Å; V610-L654 HydrophobicContact CG1-CD1 3.58Å; V610-L654 HydrophobicContact CG1-CG 4.27Å
611S85.1Confident81Confident30 Ų3049 Ų4921%0.2126%0.255CS..EExtended strand (participates in β ladder)trans-114.2159.1175.172.20000112.3D613 V652 L654S611-D613 PolarHBondContact OG-OD1 2.87Å; S611-V652 PolarHBondContact N-O 3.08Å; S611-L654 WeakPolarHBondContact O-CB 3.17Å; S611-L654 PolarHBondContact O-N 2.95Å
612V81.6Confident80.6Confident33 Ų3348.1 Ų48.120%0.225%0.25CC..  trans-119.299.1171.6-176.80000108.4Y525 V532 A615 A618 L654Y525-V612 HydrophobicContact CD2-CG2 4.22Å; Y525-V612 HydrophobicContact CE2-CG1 4.09Å; Y525-V612 HydrophobicContact CE2-CG2 4.14Å; V532-V612 HydrophobicContact CB-CG2 4.36Å; V532-V612 HydrophobicContact CG1-CG2 3.61Å; V612-A615 HydrophobicContact CG1-CB 4.42Å; V612-A618 HydrophobicContact CG1-CB 4.44Å; V612-L654 HydrophobicContact CG2-CB 4.28Å; V612-L654 HydrophobicContact CG2-CD2 3.74Å
613D76.6Confident80Confident112 Ų11248.8 Ų48.860%0.59925%0.248SC*.SBendtrans-82.4-35.2-178.4-50.3-14.3000111.7S611 N653S611-D613 PolarHBondContact OG-OD1 2.87Å; D613-N653 WeakPolarHBondContact CB-ND2 3.32Å; D613-N653 PolarHBondContact OD2-ND2 2.98Å
614D75.8Confident79.4Confident68 Ų6844.3 Ų44.336%0.36423%0.228SC..  trans-136.8108.3177.9-173.6-25.8000110I616 E617 A618D614-I616 VanDerWaalsContact C-N 3.3Å; D614-I616 PolarHBondContact O-N 2.72Å; D614-I616 WeakPolarHBondContact OD1-CA 3.36Å; D614-I616 WeakPolarHBondContact OD1-CB 3.5Å; D614-I616 PolarHBondContact OD1-N 3.35Å; D614-E617 HydrophobicContact CB-CB 3.98Å; D614-E617 PolarHBondContact OD1-N 3.49Å; D614-E617 VanDerWaalsContact OD1-N 3.08Å; D614-A618 WeakPolarHBondContact O-CB 3.36Å; D614-A618 PolarHBondContact O-N 2.78Å
615A74.5Confident79.2Confident36 Ų3640.7 Ų40.730%0.29821%0.209SC..Hα-helixtrans-67.2-29.2-179.500000113Y525 V612 D619Y525-A615 PolarHBondContact OH-O 3.46Å; V612-A615 HydrophobicContact CG1-CB 4.42Å; A615-D619 VanDerWaalsContact O-CB 3.3Å; A615-D619 WeakPolarHBondContact O-CB 3.27Å; A615-D619 VanDerWaalsContact O-CG 3.29Å; A615-D619 PolarHBondContact O-N 2.94Å
616I70.4Confident79Confident72 Ų7240.4 Ų40.437%0.36921%0.208SC..Hα-helixtrans-73.4-45.8179.8-61.8173.1000109.6L278 D614 A618 D619 Q620L278-I616 HydrophobicContact CD2-CD1 4.34Å; D614-I616 VanDerWaalsContact C-N 3.3Å; D614-I616 PolarHBondContact O-N 2.72Å; D614-I616 WeakPolarHBondContact OD1-CA 3.36Å; D614-I616 WeakPolarHBondContact OD1-CB 3.5Å; D614-I616 PolarHBondContact OD1-N 3.35Å; I616-A618 VanDerWaalsContact C-N 3.35Å; I616-D619 PolarHBondContact O-N 3.37Å; I616-Q620 WeakPolarHBondContact O-CG 3.49Å; I616-Q620 PolarHBondContact O-N 3.43Å
617E72.1Confident78.3Confident64 Ų6439.3 Ų39.330%0.29920%0.202SC..Hα-helixtrans-62.1-45.6176.2-165.9-171.1167.500110.7D614 D619 Q620 V621 T655 R659D614-E617 HydrophobicContact CB-CB 3.98Å; D614-E617 PolarHBondContact OD1-N 3.49Å; D614-E617 VanDerWaalsContact OD1-N 3.08Å; E617-D619 PolarHBondContact O-N 3.2Å; E617-Q620 PolarHBondContact O-N 2.93Å; E617-V621 WeakPolarHBondContact O-CG2 3.4Å; E617-V621 PolarHBondContact O-N 3.27Å; E617-T655 HydrophobicContact CG-CG2 3.98Å; E617-R659 IonicContact OE1-CZ 2.61Å; E617-R659 VanDerWaalsContact OE1-CZ 3.25Å; E617-R659 IonicContact OE1-NH1 2.71Å; E617-R659 PolarHBondContact OE1-NH1 3.31Å; E617-R659 IonicContact OE1-NH2 3.59Å; E617-R659 PolarHBondContact OE1-NH2 2.73Å
618A75.9Confident77.3Confident0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-57.5-50.2175.800000111Y525 V612 D614 I616 Q620 V621 F622Y525-A618 HydrophobicContact CE1-CB 4.33Å; Y525-A618 HydrophobicContact CE2-CB 4.04Å; Y525-A618 WeakPolarHBondContact OH-CB 3.47Å; V612-A618 HydrophobicContact CG1-CB 4.44Å; D614-A618 WeakPolarHBondContact O-CB 3.36Å; D614-A618 PolarHBondContact O-N 2.78Å; I616-A618 VanDerWaalsContact C-N 3.35Å; A618-Q620 VanDerWaalsContact C-N 3.3Å; A618-Q620 PolarHBondContact O-N 3.26Å; A618-V621 PolarHBondContact O-N 3.38Å; A618-F622 HydrophobicContact CB-CE2 4.47Å; A618-F622 WeakPolarHBondContact O-CD2 3.46Å; A618-F622 PolarHBondContact O-N 2.96Å
619D75.3Confident75.7Confident51 Ų5148.6 Ų48.627%0.27325%0.245SC..Hα-helixtrans-55.9-42.1178.3-84.6-26.6000112.6Y525 R526 R529 A615 I616 E617 E623Y525-D619 WeakPolarHBondContact CE1-OD1 3.48Å; Y525-D619 PolarHBondContact OH-N 2.78Å; Y525-D619 PolarHBondContact OH-OD1 3.21Å; Y525-D619 VanDerWaalsContact OH-OD1 3.06Å; R526-D619 IonicContact CZ-OD1 3.01Å; R526-D619 IonicContact NH1-OD1 3.7Å; R526-D619 PolarHBondContact NH1-OD1 3.42Å; R526-D619 PolarHBondContact NH2-O 2.83Å; R526-D619 IonicContact NH2-OD1 3.32Å; R529-D619 IonicContact NH2-OD1 2.92Å; R529-D619 PolarHBondContact NH2-OD1 3.35Å; R529-D619 IonicContact NH2-OD2 2.81Å; R529-D619 PolarHBondContact NH2-OD2 2.63Å; A615-D619 VanDerWaalsContact O-CB 3.3Å; A615-D619 WeakPolarHBondContact O-CB 3.27Å; A615-D619 VanDerWaalsContact O-CG 3.29Å; A615-D619 PolarHBondContact O-N 2.94Å; I616-D619 PolarHBondContact O-N 3.37Å; E617-D619 PolarHBondContact O-N 3.2Å; D619-E623 WeakPolarHBondContact O-CB 3.43Å; D619-E623 PolarHBondContact O-N 2.74Å; D619-E623 VanDerWaalsContact O-N 3.08Å
620Q72.5Confident73.8Confident103 Ų10352.4 Ų52.448%0.48126%0.259SS..Hα-helixtrans-65.3-41176.2-71.4173.99.800112.3I616 E617 A618 M624I616-Q620 WeakPolarHBondContact O-CG 3.49Å; I616-Q620 PolarHBondContact O-N 3.43Å; E617-Q620 PolarHBondContact O-N 2.93Å; A618-Q620 VanDerWaalsContact C-N 3.3Å; A618-Q620 PolarHBondContact O-N 3.26Å; Q620-M624 VanDerWaalsContact O-CB 3.23Å; Q620-M624 WeakPolarHBondContact O-CB 3.49Å; Q620-M624 PolarHBondContact O-N 3.11Å
621V74.6Confident71.3Confident4 Ų459 Ų592%0.02430%0.295CS..Hα-helixtrans-68.9-41.7179.6169.10000111.8E617 A618 M624 L625 T655 M658 R659E617-V621 WeakPolarHBondContact O-CG2 3.4Å; E617-V621 PolarHBondContact O-N 3.27Å; A618-V621 PolarHBondContact O-N 3.38Å; V621-M624 PolarHBondContact O-N 3.05Å; V621-L625 HydrophobicContact CG1-CD1 3.61Å; V621-L625 HydrophobicContact CG1-CG 4.19Å; V621-L625 WeakPolarHBondContact O-CB 3.3Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.42Å; V621-L625 PolarHBondContact O-N 3.04Å; V621-T655 HydrophobicContact CB-CG2 3.98Å; V621-T655 HydrophobicContact CG1-CG2 4.22Å; V621-T655 HydrophobicContact CG2-CG2 3.52Å; V621-M658 HydrophobicContact CG1-CB 4.35Å; V621-R659 HydrophobicContact CG1-CG 3.96Å
622F81.9Confident69.4Low0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-62.5-46.6174.4-81-75.9000111.7T522 Y525 A618 M624 L625 M626 G627 L654 M658T522-F622 HydrophobicContact CG2-CD1 3.89Å; T522-F622 HydrophobicContact CG2-CE1 4.25Å; T522-F622 WeakPolarHBondContact OG1-CD1 3.29Å; T522-F622 WeakPolarHBondContact OG1-CE1 3.35Å; Y525-F622 AromaticContact CD1-CD2 3.31Å; Y525-F622 HydrophobicContact CD1-CD2 3.31Å; Y525-F622 AromaticContact CD1-CE2 3.33Å; Y525-F622 HydrophobicContact CD1-CE2 3.33Å; Y525-F622 HydrophobicContact CD1-CG 4Å; Y525-F622 AromaticContact CD1-CZ 4Å; Y525-F622 HydrophobicContact CD1-CZ 4Å; Y525-F622 HydrophobicContact CD2-CE2 4.22Å; Y525-F622 AromaticContact CE1-CD2 3.49Å; Y525-F622 HydrophobicContact CE1-CD2 3.49Å; Y525-F622 VanDerWaalsContact CE1-CD2 3.49Å; Y525-F622 AromaticContact CE1-CE2 3.79Å; Y525-F622 HydrophobicContact CE1-CE2 3.79Å; Y525-F622 HydrophobicContact CE1-CG 4.35Å; Y525-F622 HydrophobicContact CG-CD2 4.04Å; Y525-F622 AromaticContact CG-CE2 3.55Å; Y525-F622 HydrophobicContact CG-CE2 3.55Å; Y525-F622 AromaticContact CG-CZ 3.98Å; Y525-F622 HydrophobicContact CG-CZ 3.98Å; A618-F622 HydrophobicContact CB-CE2 4.47Å; A618-F622 WeakPolarHBondContact O-CD2 3.46Å; A618-F622 PolarHBondContact O-N 2.96Å; F622-M624 VanDerWaalsContact C-N 3.33Å; F622-M624 PolarHBondContact O-N 3.49Å; F622-L625 PolarHBondContact O-N 2.98Å; F622-M626 HydrophobicContact CD1-CG 4.39Å; F622-M626 WeakPolarHBondContact O-CA 3.35Å; F622-M626 VanDerWaalsContact O-CB 3.23Å; F622-M626 WeakPolarHBondContact O-CB 3.35Å; F622-M626 PolarHBondContact O-N 2.86Å; F622-G627 PolarHBondContact O-N 2.58Å; F622-L654 HydrophobicContact CE2-CD1 4.48Å; F622-L654 HydrophobicContact CE2-CD2 3.55Å; F622-L654 HydrophobicContact CE2-CG 3.88Å; F622-L654 HydrophobicContact CZ-CD1 3.98Å; F622-L654 HydrophobicContact CZ-CD2 3.78Å; F622-L654 HydrophobicContact CZ-CG 3.88Å; F622-M658 HydrophobicContact CD1-CE 3.75Å; F622-M658 HydrophobicContact CD1-SD 4.46Å; F622-M658 HydrophobicContact CE1-CE 3.39Å; F622-M658 HydrophobicContact CE1-CG 3.72Å; F622-M658 HydrophobicContact CE1-SD 3.53Å; F622-M658 VanDerWaalsContact CE1-SD 3.53Å; F622-M658 HydrophobicContact CE2-CG 4.21Å; F622-M658 HydrophobicContact CZ-CE 4.2Å; F622-M658 HydrophobicContact CZ-CG 3.5Å; F622-M658 VanDerWaalsContact CZ-CG 3.5Å; F622-M658 HydrophobicContact CZ-SD 3.87Å
623E72.2Confident67.9Low68 Ų6862.2 Ų62.232%0.31830%0.304SS..Hα-helixtrans-60.7-43.6176.6-177.761.6-139.400111.1D619 G627D619-E623 WeakPolarHBondContact O-CB 3.43Å; D619-E623 PolarHBondContact O-N 2.74Å; D619-E623 VanDerWaalsContact O-N 3.08Å; E623-G627 WeakPolarHBondContact O-CA 2.96Å; E623-G627 PolarHBondContact O-N 2.82Å
624M71Confident66Low61 Ų6160.6 Ų60.630%0.330%0.301SS..Hα-helixtrans-62.5-52.5179.2-178.4-17973.600112.1Q620 V621 F622 D632 R633Q620-M624 VanDerWaalsContact O-CB 3.23Å; Q620-M624 WeakPolarHBondContact O-CB 3.49Å; Q620-M624 PolarHBondContact O-N 3.11Å; V621-M624 PolarHBondContact O-N 3.05Å; F622-M624 VanDerWaalsContact C-N 3.33Å; F622-M624 PolarHBondContact O-N 3.49Å; M624-D632 HydrophobicContact CG-CB 4.05Å; M624-R633 WeakPolarHBondContact O-CG 3.17Å; M624-R633 PolarHBondContact O-NE 3.38Å
625L77.5Confident64Low11 Ų1162.1 Ų62.16%0.05831%0.313CS..Hα-helixtrans-79.9-39.7-173.4-59.9-179.8000111.9V621 F622 R633 R659 F662V621-L625 HydrophobicContact CG1-CD1 3.61Å; V621-L625 HydrophobicContact CG1-CG 4.19Å; V621-L625 WeakPolarHBondContact O-CB 3.3Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.42Å; V621-L625 PolarHBondContact O-N 3.04Å; F622-L625 PolarHBondContact O-N 2.98Å; L625-R633 PolarHBondContact O-NE 3.49Å; L625-R633 PolarHBondContact O-NH2 3.11Å; L625-R659 HydrophobicContact CD1-CG 4.29Å; L625-F662 HydrophobicContact CB-CD1 4.21Å; L625-F662 HydrophobicContact CB-CD2 4.01Å; L625-F662 HydrophobicContact CB-CE1 4.31Å; L625-F662 HydrophobicContact CB-CE2 4.13Å; L625-F662 HydrophobicContact CB-CG 4.04Å; L625-F662 HydrophobicContact CB-CZ 4.26Å; L625-F662 HydrophobicContact CD1-CB 3.96Å; L625-F662 HydrophobicContact CD1-CD1 4.43Å; L625-F662 HydrophobicContact CD1-CG 4.16Å; L625-F662 HydrophobicContact CD2-CD1 3.64Å; L625-F662 HydrophobicContact CD2-CE1 3.9Å; L625-F662 HydrophobicContact CD2-CG 4.17Å; L625-F662 HydrophobicContact CG-CD1 4.29Å; L625-F662 HydrophobicContact CG-CG 4.35Å; L625-F662 WeakPolarHBondContact O-CE2 3.43Å; L625-F662 WeakPolarHBondContact O-CZ 3.44Å
626M80.9Confident62Low4 Ų470.4 Ų70.42%0.0234%0.337CS..Hα-helixtrans-106.7-17-170.8-53.6-58.1-77.300114.1N463 E465 K466 L519 T522 F622 M658 F662N463-M626 PolarHBondContact ND2-O 2.89Å; E465-M626 HydrophobicContact CB-CB 3.81Å; E465-M626 HydrophobicContact CG-CB 4Å; K466-M626 WeakPolarHBondContact CE-O 3.2Å; K466-M626 WeakPolarHBondContact CG-O 3.33Å; L519-M626 HydrophobicContact CD2-CE 3.61Å; L519-M626 HydrophobicContact CG-CE 4.27Å; T522-M626 HydrophobicContact CG2-CB 4.33Å; T522-M626 HydrophobicContact CG2-CG 4.28Å; T522-M626 WeakPolarHBondContact OG1-CG 3.22Å; F622-M626 HydrophobicContact CD1-CG 4.39Å; F622-M626 WeakPolarHBondContact O-CA 3.35Å; F622-M626 VanDerWaalsContact O-CB 3.23Å; F622-M626 WeakPolarHBondContact O-CB 3.35Å; F622-M626 PolarHBondContact O-N 2.86Å; M626-M658 HydrophobicContact CG-CE 4.02Å; M626-M658 HydrophobicContact SD-CE 4.34Å; M626-F662 HydrophobicContact SD-CD2 3.81Å; M626-F662 HydrophobicContact SD-CE2 3.75Å
627G69.5Low59.9Low2 Ų273.3 Ų73.32%0.02136%0.358CS..SBendtrans-82.4-171.7-178.200000115.7K466 F622 E623 R633K466-G627 WeakPolarHBondContact CE-O 3.47Å; K466-G627 PolarHBondContact NZ-O 3.42Å; F622-G627 PolarHBondContact O-N 2.58Å; E623-G627 WeakPolarHBondContact O-CA 2.96Å; E623-G627 PolarHBondContact O-N 2.82Å; G627-R633 PolarHBondContact O-NH2 2.97Å
628D65.8Low57.7Low110 Ų11079.6 Ų79.659%0.58838%0.379SS*.SBendtrans-85.2-17.9-166.8-82.1-27.3000116.7K466 R630K466-D628 VanDerWaalsContact CD-OD1 3.3Å; K466-D628 WeakPolarHBondContact CD-OD1 3.26Å; K466-D628 WeakPolarHBondContact CE-OD1 3.4Å; K466-D628 WeakPolarHBondContact CG-OD1 3.45Å; K466-D628 IonicContact NZ-OD1 3.63Å; K466-D628 PolarHBondContact NZ-OD1 3.34Å; D628-R630 PolarHBondContact O-N 2.84Å
629R54.4Low55.3Low97 Ų9791.5 Ų91.537%0.36642%0.424SS..  trans-76.6116.6-176.9-65.4-173.9176.2-152.40.5111.5N243 K244N243-R629 VanDerWaalsContact C-NH2 3.31Å; N243-R629 PolarHBondContact O-NE 2.94Å; N243-R629 VanDerWaalsContact O-NE 3.09Å; N243-R629 PolarHBondContact O-NH1 2.82Å; N243-R629 PolarHBondContact O-NH2 3.24Å; K244-R629 VanDerWaalsContact CA-NH2 3.3Å; K244-R629 PolarHBondContact O-NH2 2.96Å
630R50.8Low53Low175 Ų17596 Ų9666%0.6645%0.446SS*.SBendtrans-75.1-30.3179.5-65.4-175.2-171.3179.83113.5D628D628-R630 PolarHBondContact O-N 2.84Å
631N39.6Very low50.8Low139 Ų13997 Ų9774%0.74345%0.454SS*.SBendtrans-70.4-35.5-168.7-72.2-5.3000113.7R633 S634N631-R633 VanDerWaalsContact C-N 3.33Å; N631-R633 PolarHBondContact O-N 3.28Å; N631-S634 PolarHBondContact O-OG 2.99Å
632D44.2Very low48.8Very low72 Ų72100.5 Ų100.539%0.38547%0.472SS..G310 helixtrans-77.2-18.7-175.1-68.6-25.5000113.7M624 S634M624-D632 HydrophobicContact CG-CB 4.05Å; D632-S634 PolarHBondContact O-N 3.36Å
633R49.7Very low46.4Very low58 Ų58108.5 Ų108.522%0.21951%0.509CS..G310 helixtrans-69.2-14.1-178.2-66.9174.4179-157.5-6.7114.2M624 L625 G627 N631M624-R633 WeakPolarHBondContact O-CG 3.17Å; M624-R633 PolarHBondContact O-NE 3.38Å; L625-R633 PolarHBondContact O-NE 3.49Å; L625-R633 PolarHBondContact O-NH2 3.11Å; G627-R633 PolarHBondContact O-NH2 2.97Å; N631-R633 VanDerWaalsContact C-N 3.33Å; N631-R633 PolarHBondContact O-N 3.28Å
634S37.8Very low44.4Very low77 Ų77112.6 Ų112.654%0.53853%0.533SS..G310 helixtrans-92.3-4.7-168.370.80000115.2N631 D632N631-S634 PolarHBondContact O-OG 2.99Å; D632-S634 PolarHBondContact O-N 3.36Å
635T32.9Very low43Very low100 Ų100114.5 Ų114.561%0.61354%0.537SS*.SBendtrans-127.6104.7-163.5-7.40000112.4
636R32.2Very low41.2Very low211 Ų211126.1 Ų126.180%0.79658%0.58SS**  trans126.793158.7-74172.7170.7-178.4-3.1113
637T26.5Very low39.8Very low133 Ų133132.7 Ų132.782%0.81661%0.611SS**  trans-90.6111.4157.9-46.30000107.6
638R26.7Very low39.9Very low195 Ų195136.5 Ų136.574%0.73663%0.631SS**  trans-119.4133166.9-90.3-174.1175.1175.9-3.6108.8
639R24.8Very low40.6Very low251 Ų251134.6 Ų134.695%0.94762%0.62SS**  trans-65.8128.1170.1-115.4174.7-175.8166.50.7108.7
640I27.8Very low41.7Very low144 Ų144131.6 Ų131.674%0.73861%0.61SS**  trans-114.6138.5169-63175.6000108.2
641I26.8Very low43.1Very low125 Ų125127.8 Ų127.864%0.64160%0.603SS**PPolyproline II helixtrans-93125.4-176.3-61.6171000107.7E643I641-E643 HydrophobicContact CG2-CG 4.46Å
642L32.3Very low45.3Very low77 Ų77122.2 Ų122.240%0.40357%0.574SS.*PPolyproline II helixtrans-97127.8166.9-74.2166.3000109.2K560 R645K560-L642 WeakPolarHBondContact CD-O 3.48Å; L642-R645 VanDerWaalsContact CD2-NH2 3.31Å
643E30.3Very low47.2Very low169 Ų169120.3 Ų120.379%0.7956%0.563SS**PPolyproline II helixtrans-100.9164.3175.1-75.4-177.4161.600112.4I641I641-E643 HydrophobicContact CG2-CG 4.46Å
644D31.7Very low48.9Very low154 Ų154117.6 Ų117.682%0.82455%0.553SS**PPolyproline II helixtrans-54136.8-166.7-95.1-21.9000116.3
645R41.9Very low51Low100 Ų100114 Ų11438%0.37753%0.528SS..  trans-117.8126.8-167.8-65.5-177.8178.1-176.7-3.9113.4L642L642-R645 VanDerWaalsContact CD2-NH2 3.31Å
646R38.7Very low53.2Low256 Ų256111.4 Ų111.497%0.96651%0.514SS*.  trans-127.95.3-179.2-87.1-172.6-178.6169.13116.9
647E51.1Low55.6Low141 Ų141101.7 Ų101.766%0.65948%0.478SS*.SBendtrans-118.5149.9179.9-68.3-171.5161.300111.9I649 H650E647-I649 PolarHBondContact O-N 3.43Å; E647-H650 PolarHBondContact O-CE1 2.99Å; E647-H650 PolarHBondContact O-NE2 2.98Å
648N72.7Confident58.4Low82 Ų8295.4 Ų95.444%0.43944%0.439SS..SBendtrans-75.6-19.7-175-73.40.9000114.5E603 L606 M607E603-N648 PolarHBondContact O-ND2 3.14Å; E603-N648 VanDerWaalsContact O-ND2 3.15Å; L606-N648 WeakPolarHBondContact CA-O 3.2Å; M607-N648 PolarHBondContact N-O 3.21Å
649I78.9Confident60.9Low71 Ų7190.2 Ų90.236%0.36442%0.419SS..EExtended strand (participates in β ladder)trans-127126.8176.8-59.5178.6000107.8Y538 M607 R609 E647Y538-I649 HydrophobicContact CE1-CG2 4.21Å; M607-I649 HydrophobicContact CE-CD1 3.8Å; M607-I649 HydrophobicContact CE-CG1 3.94Å; M607-I649 WeakPolarHBondContact O-CA 3.44Å; R609-I649 HydrophobicContact CB-CG2 4Å; E647-I649 PolarHBondContact O-N 3.43Å
650H77.6Confident63.2Low33 Ų3382.9 Ų82.915%0.15340%0.396CS..EExtended strand (participates in β ladder)trans-121.1137.2-179.8-63.9-58.1000111.4M607 L608 R609 E647M607-H650 PolarHBondContact O-N 2.89Å; L608-H650 CarbonylContact C-O 3.49Å; L608-H650 VanDerWaalsContact CA-O 3.28Å; L608-H650 WeakPolarHBondContact CA-O 3.27Å; L608-H650 HydrophobicContact CD2-CB 4.05Å; R609-H650 PolarHBondContact N-O 3.4Å; E647-H650 PolarHBondContact O-CE1 2.99Å; E647-H650 PolarHBondContact O-NE2 2.98Å
651D82Confident65.5Low96 Ų9676 Ų7651%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-75.2132.7172.1-70.2-24.3000110.6R609R609-D651 WeakPolarHBondContact CB-OD1 3.17Å; R609-D651 IonicContact CZ-OD1 3.27Å; R609-D651 IonicContact CZ-OD2 3.34Å; R609-D651 IonicContact NE-OD1 2.81Å; R609-D651 PolarHBondContact NE-OD1 2.55Å; R609-D651 IonicContact NH2-OD1 2.77Å; R609-D651 PolarHBondContact NH2-OD1 3.04Å; R609-D651 IonicContact NH2-OD2 3.3Å; R609-D651 PolarHBondContact NH2-OD2 3.09Å; R609-D651 CarbonylContact O-C 3.33Å; R609-D651 WeakPolarHBondContact O-CA 3.22Å
652V84.1Confident67.9Low22 Ų2270.6 Ų70.613%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-125.7131172.570.40000109.3L608 R609 V610 S611 L654 E657L608-V652 HydrophobicContact CB-CB 4.33Å; L608-V652 HydrophobicContact CB-CG1 3.78Å; R609-V652 PolarHBondContact O-N 3.32Å; V610-V652 WeakPolarHBondContact CA-O 3.49Å; V610-V652 HydrophobicContact CG2-CG1 4.25Å; S611-V652 PolarHBondContact N-O 3.08Å; V652-L654 PolarHBondContact O-N 3Å; V652-E657 HydrophobicContact CG1-CB 4.44Å; V652-E657 HydrophobicContact CG2-CB 4.06Å
653N84.7Confident69.8Low31 Ų3170.1 Ų70.117%0.16633%0.33CS..EExtended strand (participates in β ladder)trans-68.3128.3174-178.9-41.9000109.3D613 T655 S656 E657D613-N653 WeakPolarHBondContact CB-ND2 3.32Å; D613-N653 PolarHBondContact OD2-ND2 2.98Å; N653-T655 PolarHBondContact O-N 3.46Å; N653-T655 VanDerWaalsContact O-N 3.14Å; N653-T655 WeakPolarHBondContact OD1-CA 3.45Å; N653-T655 WeakPolarHBondContact OD1-CB 3.34Å; N653-T655 PolarHBondContact OD1-N 2.69Å; N653-T655 PolarHBondContact OD1-OG1 3.37Å; N653-S656 PolarHBondContact O-N 2.99Å; N653-S656 VanDerWaalsContact O-N 3.15Å; N653-S656 PolarHBondContact O-OG 2.9Å; N653-E657 PolarHBondContact O-N 2.92Å; N653-E657 VanDerWaalsContact O-N 3.08Å
654L85.9Confident71.6Confident1 Ų166.3 Ų66.31%0.00532%0.315CS..Hα-helixtrans-50.4-39178.5178.366.4000112.4L521 Y525 V532 V610 S611 V612 F622 V652 M658L521-L654 HydrophobicContact CB-CD1 4.04Å; L521-L654 HydrophobicContact CD1-CD1 4.25Å; L521-L654 HydrophobicContact CD2-CD1 3.88Å; L521-L654 HydrophobicContact CG-CD1 4.27Å; Y525-L654 HydrophobicContact CD2-CD2 3.33Å; Y525-L654 HydrophobicContact CE2-CD2 3.93Å; Y525-L654 HydrophobicContact CG-CD2 3.75Å; V532-L654 HydrophobicContact CG1-CD2 4.49Å; V610-L654 HydrophobicContact CG1-CB 3.82Å; V610-L654 HydrophobicContact CG1-CD1 3.58Å; V610-L654 HydrophobicContact CG1-CG 4.27Å; S611-L654 WeakPolarHBondContact O-CB 3.17Å; S611-L654 PolarHBondContact O-N 2.95Å; V612-L654 HydrophobicContact CG2-CB 4.28Å; V612-L654 HydrophobicContact CG2-CD2 3.74Å; F622-L654 HydrophobicContact CE2-CD1 4.48Å; F622-L654 HydrophobicContact CE2-CD2 3.55Å; F622-L654 HydrophobicContact CE2-CG 3.88Å; F622-L654 HydrophobicContact CZ-CD1 3.98Å; F622-L654 HydrophobicContact CZ-CD2 3.78Å; F622-L654 HydrophobicContact CZ-CG 3.88Å; V652-L654 PolarHBondContact O-N 3Å; L654-M658 HydrophobicContact CD1-CG 4.17Å; L654-M658 HydrophobicContact CG-CG 4.39Å; L654-M658 VanDerWaalsContact O-CB 3.24Å; L654-M658 WeakPolarHBondContact O-CB 3.46Å; L654-M658 WeakPolarHBondContact O-CG 3.4Å; L654-M658 PolarHBondContact O-N 3.28Å
655T82Confident73.6Confident2 Ų260.3 Ų60.31%0.01228%0.281CS..Hα-helixtrans-67.1-43.9-177.1-48.40000111.8E617 V621 N653 R659E617-T655 HydrophobicContact CG-CG2 3.98Å; V621-T655 HydrophobicContact CB-CG2 3.98Å; V621-T655 HydrophobicContact CG1-CG2 4.22Å; V621-T655 HydrophobicContact CG2-CG2 3.52Å; N653-T655 PolarHBondContact O-N 3.46Å; N653-T655 VanDerWaalsContact O-N 3.14Å; N653-T655 WeakPolarHBondContact OD1-CA 3.45Å; N653-T655 WeakPolarHBondContact OD1-CB 3.34Å; N653-T655 PolarHBondContact OD1-N 2.69Å; N653-T655 PolarHBondContact OD1-OG1 3.37Å; T655-R659 WeakPolarHBondContact O-CG 3.48Å; T655-R659 PolarHBondContact O-N 3.19Å
656S78.7Confident74.9Confident45 Ų4556.1 Ų56.132%0.31527%0.267SS..Hα-helixtrans-67.9-45176.243.10000111.4N653 M658 R659 E660N653-S656 PolarHBondContact O-N 2.99Å; N653-S656 VanDerWaalsContact O-N 3.15Å; N653-S656 PolarHBondContact O-OG 2.9Å; S656-M658 VanDerWaalsContact C-N 3.34Å; S656-M658 PolarHBondContact O-N 3.13Å; S656-R659 PolarHBondContact O-N 3.45Å; S656-E660 PolarHBondContact O-N 3.37Å
657E83.4Confident76.3Confident8 Ų847.3 Ų47.34%0.03724%0.238CC..Hα-helixtrans-62.5-41.3-179.9-177.160.1-150.700111.8R517 L521 I539 V652 N653 S661R517-E657 IonicContact CZ-OE1 3.47Å; R517-E657 IonicContact NE-OE1 2.9Å; R517-E657 PolarHBondContact NE-OE1 3.11Å; R517-E657 IonicContact NH1-OE1 2.67Å; R517-E657 IonicContact NH2-OE1 3.22Å; R517-E657 PolarHBondContact NH2-OE1 2.71Å; L521-E657 HydrophobicContact CD1-CG 3.92Å; I539-E657 HydrophobicContact CD1-CG 3.65Å; V652-E657 HydrophobicContact CG1-CB 4.44Å; V652-E657 HydrophobicContact CG2-CB 4.06Å; N653-E657 PolarHBondContact O-N 2.92Å; N653-E657 VanDerWaalsContact O-N 3.08Å; E657-S661 VanDerWaalsContact O-CB 3.24Å; E657-S661 WeakPolarHBondContact O-CB 3.49Å; E657-S661 PolarHBondContact O-N 3.15Å; E657-S661 PolarHBondContact O-OG 3.42Å; E657-S661 PolarHBondContact OE1-OG 3.45Å; E657-S661 VanDerWaalsContact OE1-OG 3.1Å
658M84.6Confident77.2Confident0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-62.6-42175.2-82.1-62.9-58.600112.3T518 L521 V621 F622 M626 L654 S656 F662T518-M658 HydrophobicContact CG2-CE 4.22Å; T518-M658 HydrophobicContact CG2-SD 4.29Å; L521-M658 HydrophobicContact CB-CG 4.46Å; L521-M658 HydrophobicContact CB-SD 3.55Å; L521-M658 VanDerWaalsContact CB-SD 3.55Å; L521-M658 HydrophobicContact CD1-CG 4.36Å; L521-M658 HydrophobicContact CD1-SD 3.88Å; L521-M658 HydrophobicContact CG-SD 4.38Å; V621-M658 HydrophobicContact CG1-CB 4.35Å; F622-M658 HydrophobicContact CD1-CE 3.75Å; F622-M658 HydrophobicContact CD1-SD 4.46Å; F622-M658 HydrophobicContact CE1-CE 3.39Å; F622-M658 HydrophobicContact CE1-CG 3.72Å; F622-M658 HydrophobicContact CE1-SD 3.53Å; F622-M658 VanDerWaalsContact CE1-SD 3.53Å; F622-M658 HydrophobicContact CE2-CG 4.21Å; F622-M658 HydrophobicContact CZ-CE 4.2Å; F622-M658 HydrophobicContact CZ-CG 3.5Å; F622-M658 VanDerWaalsContact CZ-CG 3.5Å; F622-M658 HydrophobicContact CZ-SD 3.87Å; M626-M658 HydrophobicContact CG-CE 4.02Å; M626-M658 HydrophobicContact SD-CE 4.34Å; L654-M658 HydrophobicContact CD1-CG 4.17Å; L654-M658 HydrophobicContact CG-CG 4.39Å; L654-M658 VanDerWaalsContact O-CB 3.24Å; L654-M658 WeakPolarHBondContact O-CB 3.46Å; L654-M658 WeakPolarHBondContact O-CG 3.4Å; L654-M658 PolarHBondContact O-N 3.28Å; S656-M658 VanDerWaalsContact C-N 3.34Å; S656-M658 PolarHBondContact O-N 3.13Å; M658-F662 WeakPolarHBondContact O-CB 3.45Å; M658-F662 PolarHBondContact O-N 3.25Å; M658-F662 VanDerWaalsContact O-N 3.09Å
659R78.1Confident77.1Confident86 Ų8639.2 Ų39.233%0.32520%0.202SC..Hα-helixtrans-64-50.5177.4-74.4173.4-179.41440.4111.1E617 V621 L625 T655 S656 F662 I663E617-R659 IonicContact OE1-CZ 2.61Å; E617-R659 VanDerWaalsContact OE1-CZ 3.25Å; E617-R659 IonicContact OE1-NH1 2.71Å; E617-R659 PolarHBondContact OE1-NH1 3.31Å; E617-R659 IonicContact OE1-NH2 3.59Å; E617-R659 PolarHBondContact OE1-NH2 2.73Å; V621-R659 HydrophobicContact CG1-CG 3.96Å; L625-R659 HydrophobicContact CD1-CG 4.29Å; T655-R659 WeakPolarHBondContact O-CG 3.48Å; T655-R659 PolarHBondContact O-N 3.19Å; S656-R659 PolarHBondContact O-N 3.45Å; R659-F662 PolarHBondContact O-N 3.1Å; R659-I663 VanDerWaalsContact O-CB 3.31Å; R659-I663 WeakPolarHBondContact O-CB 3.02Å; R659-I663 WeakPolarHBondContact O-CD1 3.24Å; R659-I663 WeakPolarHBondContact O-CG1 3.28Å; R659-I663 PolarHBondContact O-N 3.19Å
660E75Confident76.8Confident97 Ų9736.1 Ų36.145%0.45319%0.187SC..Hα-helixtrans-61.1-55.2-178.4-175.2172.5174.100111.6S656 F662 I663 D664S656-E660 PolarHBondContact O-N 3.37Å; E660-F662 VanDerWaalsContact C-N 3.28Å; E660-F662 PolarHBondContact O-N 3.26Å; E660-I663 PolarHBondContact O-N 2.95Å; E660-I663 VanDerWaalsContact O-N 3.11Å; E660-D664 PolarHBondContact O-N 2.84Å
661S75.6Confident76.5Confident0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-56.5-41.7179.3-54.40000112.8R517 T518 E657 Y665R517-S661 PolarHBondContact NE-OG 2.92Å; R517-S661 PolarHBondContact NH2-OG 3.06Å; T518-S661 VanDerWaalsContact CG2-CB 3.41Å; E657-S661 VanDerWaalsContact O-CB 3.24Å; E657-S661 WeakPolarHBondContact O-CB 3.49Å; E657-S661 PolarHBondContact O-N 3.15Å; E657-S661 PolarHBondContact O-OG 3.42Å; E657-S661 PolarHBondContact OE1-OG 3.45Å; E657-S661 VanDerWaalsContact OE1-OG 3.1Å; S661-Y665 WeakPolarHBondContact O-CB 3.43Å; S661-Y665 PolarHBondContact O-N 3.42Å
662F77.1Confident75.9Confident12 Ų1234.3 Ų34.35%0.05319%0.185CC..Hα-helixtrans-72.6-37.8179.9-171.7-87000112T518 L625 M626 M658 R659 E660 A666 V817T518-F662 HydrophobicContact CG2-CB 3.98Å; L625-F662 HydrophobicContact CB-CD1 4.21Å; L625-F662 HydrophobicContact CB-CD2 4.01Å; L625-F662 HydrophobicContact CB-CE1 4.31Å; L625-F662 HydrophobicContact CB-CE2 4.13Å; L625-F662 HydrophobicContact CB-CG 4.04Å; L625-F662 HydrophobicContact CB-CZ 4.26Å; L625-F662 HydrophobicContact CD1-CB 3.96Å; L625-F662 HydrophobicContact CD1-CD1 4.43Å; L625-F662 HydrophobicContact CD1-CG 4.16Å; L625-F662 HydrophobicContact CD2-CD1 3.64Å; L625-F662 HydrophobicContact CD2-CE1 3.9Å; L625-F662 HydrophobicContact CD2-CG 4.17Å; L625-F662 HydrophobicContact CG-CD1 4.29Å; L625-F662 HydrophobicContact CG-CG 4.35Å; L625-F662 WeakPolarHBondContact O-CE2 3.43Å; L625-F662 WeakPolarHBondContact O-CZ 3.44Å; M626-F662 HydrophobicContact SD-CD2 3.81Å; M626-F662 HydrophobicContact SD-CE2 3.75Å; M658-F662 WeakPolarHBondContact O-CB 3.45Å; M658-F662 PolarHBondContact O-N 3.25Å; M658-F662 VanDerWaalsContact O-N 3.09Å; R659-F662 PolarHBondContact O-N 3.1Å; E660-F662 VanDerWaalsContact C-N 3.28Å; E660-F662 PolarHBondContact O-N 3.26Å; F662-A666 HydrophobicContact CD1-CB 4.26Å; F662-A666 HydrophobicContact CE1-CB 4.16Å; F662-A666 WeakPolarHBondContact O-CB 3.35Å; F662-A666 PolarHBondContact O-N 2.95Å; F662-V817 HydrophobicContact CE1-CG1 3.85Å; F662-V817 HydrophobicContact CE2-CG1 4.39Å; F662-V817 HydrophobicContact CZ-CG1 3.48Å; F662-V817 VanDerWaalsContact CZ-CG1 3.48Å
663I71.4Confident75.3Confident67 Ų6737.2 Ų37.234%0.34419%0.194SC..Hα-helixtrans-65.8-46.1178.2-73.9166.6000110.5R659 E660 Y665 A666 M667R659-I663 VanDerWaalsContact O-CB 3.31Å; R659-I663 WeakPolarHBondContact O-CB 3.02Å; R659-I663 WeakPolarHBondContact O-CD1 3.24Å; R659-I663 WeakPolarHBondContact O-CG1 3.28Å; R659-I663 PolarHBondContact O-N 3.19Å; E660-I663 PolarHBondContact O-N 2.95Å; E660-I663 VanDerWaalsContact O-N 3.11Å; I663-Y665 VanDerWaalsContact C-N 3.31Å; I663-Y665 PolarHBondContact O-N 2.83Å; I663-A666 PolarHBondContact O-N 2.78Å; I663-M667 HydrophobicContact CG2-CG 4.08Å; I663-M667 VanDerWaalsContact O-CB 3.3Å; I663-M667 WeakPolarHBondContact O-CB 3.38Å; I663-M667 WeakPolarHBondContact O-CG 3.37Å; I663-M667 PolarHBondContact O-N 2.86Å
664D68.4Low74.9Confident88 Ų8836.1 Ų36.147%0.47119%0.189SC..Hα-helixtrans-60.4-44.2178.7-73-17.3000111.2E660 S668E660-D664 PolarHBondContact O-N 2.84Å; D664-S668 VanDerWaalsContact O-CB 3.23Å; D664-S668 WeakPolarHBondContact O-CB 3.4Å; D664-S668 PolarHBondContact O-N 3.15Å; D664-S668 VanDerWaalsContact O-N 3.13Å
665Y73Confident75.1Confident29 Ų2936 Ų3611%0.11419%0.189CC..Hα-helixtrans-59.8-53171.9166.8-112.5000112.1V511 H515 S661 I663 S668 V669 V817V511-Y665 HydrophobicContact CG1-CD2 4.05Å; V511-Y665 WeakPolarHBondContact O-CD2 3.16Å; H515-Y665 HydrophobicContact CB-CD1 4.27Å; H515-Y665 HydrophobicContact CB-CD2 3.49Å; H515-Y665 VanDerWaalsContact CB-CD2 3.49Å; H515-Y665 HydrophobicContact CB-CE1 4.47Å; H515-Y665 HydrophobicContact CB-CE2 3.74Å; H515-Y665 HydrophobicContact CB-CG 3.77Å; H515-Y665 AromaticContact CD2-CD1 3.67Å; H515-Y665 AromaticContact CD2-CE1 3.4Å; H515-Y665 VanDerWaalsContact CD2-CE1 3.4Å; H515-Y665 WeakPolarHBondContact CD2-CE1 3.25Å; H515-Y665 AromaticContact CD2-CZ 3.62Å; H515-Y665 AromaticContact CE1-CZ 3.75Å; H515-Y665 PolarHBondContact CE1-OH 2.7Å; H515-Y665 AromaticContact CG-CD2 3.82Å; H515-Y665 AromaticContact CG-CE1 3.83Å; H515-Y665 AromaticContact CG-CE2 3.6Å; H515-Y665 AromaticContact CG-CZ 3.6Å; H515-Y665 AromaticContact ND1-CE2 3.79Å; H515-Y665 AromaticContact ND1-CZ 3.7Å; H515-Y665 AromaticContact NE2-CE1 3.64Å; H515-Y665 AromaticContact NE2-CZ 3.72Å; S661-Y665 WeakPolarHBondContact O-CB 3.43Å; S661-Y665 PolarHBondContact O-N 3.42Å; I663-Y665 VanDerWaalsContact C-N 3.31Å; I663-Y665 PolarHBondContact O-N 2.83Å; Y665-S668 PolarHBondContact O-N 3Å; Y665-V669 HydrophobicContact CD2-CG2 3.79Å; Y665-V669 HydrophobicContact CE2-CG2 3.38Å; Y665-V669 WeakPolarHBondContact O-CB 3.48Å; Y665-V669 VanDerWaalsContact O-CG2 3.32Å; Y665-V669 WeakPolarHBondContact O-CG2 3.23Å; Y665-V669 PolarHBondContact O-N 3.37Å; Y665-V817 HydrophobicContact CD1-CG2 4.21Å; Y665-V817 HydrophobicContact CE1-CG2 3.56Å
666A69.1Low75.7Confident11 Ų1136 Ų369%0.09119%0.188CC..Hα-helixtrans-63.2-49-174.600000111.5F662 I663 S668 V669 I670 V817F662-A666 HydrophobicContact CD1-CB 4.26Å; F662-A666 HydrophobicContact CE1-CB 4.16Å; F662-A666 WeakPolarHBondContact O-CB 3.35Å; F662-A666 PolarHBondContact O-N 2.95Å; I663-A666 PolarHBondContact O-N 2.78Å; A666-S668 PolarHBondContact O-N 3.28Å; A666-V669 PolarHBondContact O-N 2.98Å; A666-I670 HydrophobicContact CB-CD1 4.46Å; A666-I670 VanDerWaalsContact O-CB 3.28Å; A666-I670 WeakPolarHBondContact O-CB 3.14Å; A666-I670 VanDerWaalsContact O-CD1 3.28Å; A666-I670 WeakPolarHBondContact O-CD1 3.46Å; A666-I670 WeakPolarHBondContact O-CG1 3.34Å; A666-I670 PolarHBondContact O-N 3.08Å; A666-V817 HydrophobicContact CB-CB 3.99Å; A666-V817 HydrophobicContact CB-CG1 4.02Å; A666-V817 HydrophobicContact CB-CG2 4.4Å
667M69.6Low76.5Confident72 Ų7234.5 Ų34.536%0.35518%0.177SC..Hα-helixtrans-61.9-44180-77.7-58.1-57.900111.8I663 I670 V671I663-M667 HydrophobicContact CG2-CG 4.08Å; I663-M667 VanDerWaalsContact O-CB 3.3Å; I663-M667 WeakPolarHBondContact O-CB 3.38Å; I663-M667 WeakPolarHBondContact O-CG 3.37Å; I663-M667 PolarHBondContact O-N 2.86Å; M667-I670 PolarHBondContact O-N 3.17Å; M667-V671 HydrophobicContact CE-CG2 4Å; M667-V671 WeakPolarHBondContact O-CB 3.5Å; M667-V671 WeakPolarHBondContact O-CG2 3.38Å; M667-V671 PolarHBondContact O-N 2.98Å
668S69.8Low77.1Confident35 Ų3534.3 Ų34.325%0.24518%0.176CC..Hα-helixtrans-67.2-40.41771760000112V511 D664 Y665 A666 I670 A672V511-S668 VanDerWaalsContact CG1-OG 3.3Å; V511-S668 WeakPolarHBondContact CG1-OG 3.33Å; V511-S668 WeakPolarHBondContact CG2-OG 3.5Å; D664-S668 VanDerWaalsContact O-CB 3.23Å; D664-S668 WeakPolarHBondContact O-CB 3.4Å; D664-S668 PolarHBondContact O-N 3.15Å; D664-S668 VanDerWaalsContact O-N 3.13Å; Y665-S668 PolarHBondContact O-N 3Å; A666-S668 PolarHBondContact O-N 3.28Å; S668-I670 VanDerWaalsContact C-N 3.32Å; S668-I670 PolarHBondContact O-N 2.94Å; S668-A672 VanDerWaalsContact O-CA 3.3Å; S668-A672 WeakPolarHBondContact O-CA 3.32Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 2.69Å
669V70.9Confident77.7Confident17 Ų1737.3 Ų37.310%0.10319%0.187CC..Hα-helixtrans-63.5-39.7173.31720000111.7Y665 A666 R673 A674 V817Y665-V669 HydrophobicContact CD2-CG2 3.79Å; Y665-V669 HydrophobicContact CE2-CG2 3.38Å; Y665-V669 WeakPolarHBondContact O-CB 3.48Å; Y665-V669 VanDerWaalsContact O-CG2 3.32Å; Y665-V669 WeakPolarHBondContact O-CG2 3.23Å; Y665-V669 PolarHBondContact O-N 3.37Å; A666-V669 PolarHBondContact O-N 2.98Å; V669-R673 WeakPolarHBondContact O-CB 3.35Å; V669-R673 PolarHBondContact O-N 3.02Å; V669-A674 WeakPolarHBondContact O-CB 3.32Å; V669-A674 PolarHBondContact O-N 2.81Å; V669-V817 HydrophobicContact CB-CG2 4.21Å; V669-V817 HydrophobicContact CG1-CG2 4.12Å
670I72.8Confident78.6Confident6 Ų633.2 Ų33.23%0.03117%0.172CC..Iπ-helixtrans-63.9-53.7178.8-72163000110.7A666 M667 S668 L675 A816 M819 P982A666-I670 HydrophobicContact CB-CD1 4.46Å; A666-I670 VanDerWaalsContact O-CB 3.28Å; A666-I670 WeakPolarHBondContact O-CB 3.14Å; A666-I670 VanDerWaalsContact O-CD1 3.28Å; A666-I670 WeakPolarHBondContact O-CD1 3.46Å; A666-I670 WeakPolarHBondContact O-CG1 3.34Å; A666-I670 PolarHBondContact O-N 3.08Å; M667-I670 PolarHBondContact O-N 3.17Å; S668-I670 VanDerWaalsContact C-N 3.32Å; S668-I670 PolarHBondContact O-N 2.94Å; I670-L675 HydrophobicContact CG2-CD1 3.54Å; I670-L675 HydrophobicContact CG2-CG 4.05Å; I670-L675 PolarHBondContact O-N 2.84Å; I670-L675 VanDerWaalsContact O-N 3.16Å; I670-A816 HydrophobicContact CB-CB 4.38Å; I670-A816 HydrophobicContact CG1-CB 3.63Å; I670-M819 HydrophobicContact CD1-CE 4.31Å; I670-M819 HydrophobicContact CD1-SD 4.01Å; I670-M819 HydrophobicContact CG1-SD 4.49Å; I670-M819 HydrophobicContact CG2-SD 4.49Å; I670-P982 HydrophobicContact CG2-CB 4.3Å; I670-P982 HydrophobicContact CG2-CG 3.38Å
671V70.8Confident79.5Confident52 Ų5228.8 Ų28.832%0.31515%0.153SC..Iπ-helixtrans-79.1-45.5-173.8176.10000112M667 I977M667-V671 HydrophobicContact CE-CG2 4Å; M667-V671 WeakPolarHBondContact O-CB 3.5Å; M667-V671 WeakPolarHBondContact O-CG2 3.38Å; M667-V671 PolarHBondContact O-N 2.98Å; V671-I977 HydrophobicContact CB-CD1 4.29Å; V671-I977 HydrophobicContact CG1-CD1 4.23Å; V671-I977 HydrophobicContact CG2-CD1 4.39Å
672A68.6Low80.5Confident39 Ų3928.9 Ų28.932%0.32215%0.153SC..Iπ-helixtrans-87.1-16.8-171.100000114.1S668 P684S668-A672 VanDerWaalsContact O-CA 3.3Å; S668-A672 WeakPolarHBondContact O-CA 3.32Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 2.69Å; A672-P684 VanDerWaalsContact O-CG 3.3Å; A672-P684 WeakPolarHBondContact O-CG 3.36Å
673R72.9Confident81.3Confident83 Ų8329.7 Ų29.731%0.31316%0.157SC..Iπ-helixtrans-129.3-47.3-173.6-64.4-178175.4163.8-0.1114.7D512 V669 K683D512-R673 IonicContact OD1-NH1 2.7Å; D512-R673 IonicContact OD2-CZ 2.7Å; D512-R673 IonicContact OD2-NH1 2.9Å; D512-R673 IonicContact OD2-NH2 3.93Å; D512-R673 PolarHBondContact OD2-NH2 2.9Å; V669-R673 WeakPolarHBondContact O-CB 3.35Å; V669-R673 PolarHBondContact O-N 3.02Å; R673-K683 WeakPolarHBondContact O-CD 3.18Å
674A76.4Confident82.2Confident8 Ų827.4 Ų27.47%0.06615%0.146CC..Iπ-helixtrans-98.9-43-157.900000115.9V669 K683 I815 A816V669-A674 WeakPolarHBondContact O-CB 3.32Å; V669-A674 PolarHBondContact O-N 2.81Å; A674-K683 WeakPolarHBondContact O-CE 3.46Å; A674-K683 PolarHBondContact O-NZ 3.23Å; A674-I815 WeakPolarHBondContact CB-O 3.43Å; A674-A816 HydrophobicContact CB-CB 3.41Å; A674-A816 VanDerWaalsContact CB-CB 3.41Å
675L88.7Confident83.3Confident0 Ų024 Ų240%013%0.129CC..SBendtrans-98.6145.8-174-57.8-173.8000111.9I670 T821 L975 I977 P982I670-L675 HydrophobicContact CG2-CD1 3.54Å; I670-L675 HydrophobicContact CG2-CG 4.05Å; I670-L675 PolarHBondContact O-N 2.84Å; I670-L675 VanDerWaalsContact O-N 3.16Å; L675-T821 HydrophobicContact CD2-CG2 3.66Å; L675-L975 HydrophobicContact CD1-CD2 3.66Å; L675-L975 HydrophobicContact CD1-CG 3.97Å; L675-L975 HydrophobicContact CD2-CD2 3.77Å; L675-L975 HydrophobicContact CD2-CG 4.34Å; L675-L975 HydrophobicContact CG-CD2 4.4Å; L675-I977 HydrophobicContact CB-CD1 4.07Å; L675-I977 HydrophobicContact CB-CG1 3.86Å; L675-I977 HydrophobicContact CD1-CG1 4.47Å; L675-P982 HydrophobicContact CD1-CB 3.74Å; L675-P982 HydrophobicContact CD1-CG 4.12Å
676P94.3Very high84.4Confident0 Ų023.7 Ų23.70%013%0.128CC..PPolyproline II helixtrans-76.7154171.734.7-37.2000111.4L682 L807 A812 A976 I977P676-L682 WeakPolarHBondContact CA-O 3.42Å; P676-L807 HydrophobicContact CB-CD1 3.84Å; P676-L807 HydrophobicContact CG-CD1 3.57Å; P676-A812 HydrophobicContact CB-CB 4.16Å; P676-A812 HydrophobicContact CG-CB 3.68Å; P676-A976 HydrophobicContact CG-CB 4.33Å; P676-I977 PolarHBondContact O-N 2.81Å
677D95.3Very high85.7Confident14 Ų1424.1 Ų24.18%0.07513%0.127CC..BIsolated β-bridgetrans-74.5138.7164-167.6-65.5000109.5R679 G681 L682D677-R679 PolarHBondContact O-N 3.05Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.43Å; D677-R679 WeakPolarHBondContact OD1-CG 3.21Å; D677-R679 IonicContact OD1-CZ 3.89Å; D677-R679 PolarHBondContact OD1-N 2.98Å; D677-R679 IonicContact OD1-NE 3.08Å; D677-R679 PolarHBondContact OD1-NE 2.92Å; D677-R679 IonicContact OD1-NH2 3.29Å; D677-R679 IonicContact OD2-CZ 2.72Å; D677-R679 IonicContact OD2-NE 2.72Å; D677-R679 IonicContact OD2-NH2 3.45Å; D677-R679 PolarHBondContact OD2-NH2 3.3Å; D677-G681 WeakPolarHBondContact O-CA 3.25Å; D677-G681 PolarHBondContact O-N 2.81Å; D677-L682 PolarHBondContact N-O 3.12Å; D677-L682 VanDerWaalsContact N-O 3.12Å
678V96.5Very high86.9Confident4 Ų422.7 Ų22.72%0.02412%0.118CC..THydrogen-bonded Turntrans-61.4-29.3-17865.80000112.7L807 A976 I977 E978 L985 I990 N993V678-L807 HydrophobicContact CG2-CD2 4.22Å; V678-A976 HydrophobicContact CB-CB 4.1Å; V678-I977 WeakPolarHBondContact CG1-O 3.3Å; V678-I977 PolarHBondContact N-O 3.41Å; V678-E978 HydrophobicContact CG1-CB 4.33Å; V678-E978 HydrophobicContact CG1-CG 4.45Å; V678-L985 HydrophobicContact CB-CD1 4.01Å; V678-L985 HydrophobicContact CG2-CD1 3.45Å; V678-L985 VanDerWaalsContact CG2-CD1 3.45Å; V678-I990 HydrophobicContact CG2-CG1 4.47Å; V678-N993 HydrophobicContact CB-CB 4.48Å; V678-N993 HydrophobicContact CG1-CB 3.88Å; V678-N993 HydrophobicContact CG2-CB 3.73Å
679R96.7Very high88.2Confident63 Ų6321 Ų2124%0.23811%0.106CC..THydrogen-bonded Turntrans-76.8-43.9-171.2-63.8173.1-72.3177.9-1.4113.6D677 V799 H997D677-R679 PolarHBondContact O-N 3.05Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.43Å; D677-R679 WeakPolarHBondContact OD1-CG 3.21Å; D677-R679 IonicContact OD1-CZ 3.89Å; D677-R679 PolarHBondContact OD1-N 2.98Å; D677-R679 IonicContact OD1-NE 3.08Å; D677-R679 PolarHBondContact OD1-NE 2.92Å; D677-R679 IonicContact OD1-NH2 3.29Å; D677-R679 IonicContact OD2-CZ 2.72Å; D677-R679 IonicContact OD2-NE 2.72Å; D677-R679 IonicContact OD2-NH2 3.45Å; D677-R679 PolarHBondContact OD2-NH2 3.3Å; R679-V799 HydrophobicContact CB-CG2 3.83Å; R679-H997 HydrophobicContact CB-CB 4.01Å; R679-H997 HydrophobicContact CG-CB 3.89Å
680D96.9Very high89.4Confident0 Ų020.2 Ų20.20%010%0.101CC..THydrogen-bonded Turntrans-111.2-10.7-179.969.24.7000113.8L682 R687 M775 V799 L800 A802 N806D680-L682 PolarHBondContact O-N 2.78Å; D680-L682 PolarHBondContact OD1-N 2.86Å; D680-R687 VanDerWaalsContact CG-NH2 3.35Å; D680-R687 IonicContact OD1-CZ 3.79Å; D680-R687 IonicContact OD1-NH2 2.77Å; D680-R687 PolarHBondContact OD1-NH2 3.41Å; D680-R687 IonicContact OD2-CZ 2.71Å; D680-R687 VanDerWaalsContact OD2-CZ 3.29Å; D680-R687 IonicContact OD2-NE 3.02Å; D680-R687 PolarHBondContact OD2-NE 3.23Å; D680-R687 IonicContact OD2-NH2 3.68Å; D680-R687 PolarHBondContact OD2-NH2 2.7Å; D680-M775 HydrophobicContact CB-CE 4.13Å; D680-M775 WeakPolarHBondContact O-CE 3.45Å; D680-V799 HydrophobicContact CB-CG2 3.83Å; D680-L800 HydrophobicContact CB-CB 4.28Å; D680-L800 PolarHBondContact OD2-N 3.12Å; D680-A802 HydrophobicContact CB-CB 3.75Å; D680-N806 WeakPolarHBondContact O-CB 3.03Å; D680-N806 PolarHBondContact O-ND2 3.17Å
681G95.7Very high90.6Very high5 Ų520.8 Ų20.85%0.05210%0.103CC..  trans69.617.1-178.100000114.9D677D677-G681 WeakPolarHBondContact O-CA 3.25Å; D677-G681 PolarHBondContact O-N 2.81Å
682L95.7Very high91.7Very high1 Ų118.3 Ų18.31%0.0059%0.088CC..  trans-111.4146.2-174.7-61.6178.6000112.4P676 D677 D680 H686 R687 L690 L743 M775 L800 N806P676-L682 WeakPolarHBondContact CA-O 3.42Å; D677-L682 PolarHBondContact N-O 3.12Å; D677-L682 VanDerWaalsContact N-O 3.12Å; D680-L682 PolarHBondContact O-N 2.78Å; D680-L682 PolarHBondContact OD1-N 2.86Å; L682-H686 HydrophobicContact CB-CB 4.27Å; L682-H686 HydrophobicContact CD2-CB 3.91Å; L682-R687 HydrophobicContact CB-CB 4.41Å; L682-R687 HydrophobicContact CD1-CB 4.47Å; L682-R687 PolarHBondContact O-NH2 3.1Å; L682-L690 HydrophobicContact CD1-CD1 3.77Å; L682-L743 HydrophobicContact CD2-CD1 4.19Å; L682-M775 HydrophobicContact CD1-CE 3.97Å; L682-M775 HydrophobicContact CG-CE 4.29Å; L682-L800 HydrophobicContact CD1-CD1 3.55Å; L682-L800 HydrophobicContact CD1-CG 4.22Å; L682-N806 WeakPolarHBondContact CD2-ND2 3.26Å
683K93.5Very high93.1Very high30 Ų3016.5 Ų16.513%0.137%0.073CC..  trans-82.4156.9164.1-56.2-179.4-171.8-163.60108.7R673 A674 V685 H686 R687 T813R673-K683 WeakPolarHBondContact O-CD 3.18Å; A674-K683 WeakPolarHBondContact O-CE 3.46Å; A674-K683 PolarHBondContact O-NZ 3.23Å; K683-V685 VanDerWaalsContact C-N 3.27Å; K683-V685 HydrophobicContact CB-CG1 4.39Å; K683-V685 PolarHBondContact O-N 3.22Å; K683-V685 VanDerWaalsContact O-N 3.16Å; K683-H686 PolarHBondContact O-N 2.97Å; K683-R687 PolarHBondContact O-N 2.99Å; K683-T813 WeakPolarHBondContact CE-O 3.32Å; K683-T813 PolarHBondContact NZ-O 3.11Å
684P90.5Very high94.1Very high18 Ų1814.3 Ų14.312%0.1177%0.068CC..Hα-helixtrans-54.2-39.4-178.8-32.140.7000114.2A672 H686 R687 R688A672-P684 VanDerWaalsContact O-CG 3.3Å; A672-P684 WeakPolarHBondContact O-CG 3.36Å; P684-H686 PolarHBondContact O-N 3.23Å; P684-R687 PolarHBondContact O-N 3.31Å; P684-R688 WeakPolarHBondContact O-CB 3.3Å; P684-R688 WeakPolarHBondContact O-CG 3.35Å; P684-R688 PolarHBondContact O-N 3.47Å
685V92.5Very high94.9Very high17 Ų1718.9 Ų18.910%0.1039%0.088CC..Hα-helixtrans-60.8-43.117665.30000112.5K683 I689K683-V685 VanDerWaalsContact C-N 3.27Å; K683-V685 HydrophobicContact CB-CG1 4.39Å; K683-V685 PolarHBondContact O-N 3.22Å; K683-V685 VanDerWaalsContact O-N 3.16Å; V685-I689 HydrophobicContact CG2-CD1 4.02Å; V685-I689 WeakPolarHBondContact O-CD1 3.48Å; V685-I689 WeakPolarHBondContact O-CG1 3.49Å; V685-I689 PolarHBondContact O-N 2.89Å
686H95.4Very high95.2Very high22 Ų2220.3 Ų20.310%0.10210%0.095CC..Hα-helixtrans-66-45.2178.1-53.9153.9000110.9L682 K683 P684 R688 I689 L690 M733L682-H686 HydrophobicContact CB-CB 4.27Å; L682-H686 HydrophobicContact CD2-CB 3.91Å; K683-H686 PolarHBondContact O-N 2.97Å; P684-H686 PolarHBondContact O-N 3.23Å; H686-R688 PolarHBondContact O-N 3.24Å; H686-I689 PolarHBondContact O-N 3.2Å; H686-L690 WeakPolarHBondContact O-CG 3.48Å; H686-L690 PolarHBondContact O-N 3.45Å; H686-M733 HydrophobicContact CB-SD 4.08Å
687R95.9Very high95.1Very high20 Ų2021.1 Ų21.18%0.07510%0.103CC..Hα-helixtrans-57.9-48.2178-173.5173.6-52.3113.16.8111.8D680 L682 K683 P684 I689 L690 Y691 P797 V798 L800D680-R687 VanDerWaalsContact CG-NH2 3.35Å; D680-R687 IonicContact OD1-CZ 3.79Å; D680-R687 IonicContact OD1-NH2 2.77Å; D680-R687 PolarHBondContact OD1-NH2 3.41Å; D680-R687 IonicContact OD2-CZ 2.71Å; D680-R687 VanDerWaalsContact OD2-CZ 3.29Å; D680-R687 IonicContact OD2-NE 3.02Å; D680-R687 PolarHBondContact OD2-NE 3.23Å; D680-R687 IonicContact OD2-NH2 3.68Å; D680-R687 PolarHBondContact OD2-NH2 2.7Å; L682-R687 HydrophobicContact CB-CB 4.41Å; L682-R687 HydrophobicContact CD1-CB 4.47Å; L682-R687 PolarHBondContact O-NH2 3.1Å; K683-R687 PolarHBondContact O-N 2.99Å; P684-R687 PolarHBondContact O-N 3.31Å; R687-I689 VanDerWaalsContact C-N 3.34Å; R687-I689 PolarHBondContact O-N 2.9Å; R687-L690 PolarHBondContact O-N 3Å; R687-Y691 VanDerWaalsContact O-CB 3.32Å; R687-Y691 WeakPolarHBondContact O-CB 3.11Å; R687-Y691 PolarHBondContact O-N 3.08Å; R687-P797 VanDerWaalsContact CD-O 3.28Å; R687-P797 WeakPolarHBondContact CD-O 3.43Å; R687-P797 HydrophobicContact CG-CG 4.49Å; R687-V798 WeakPolarHBondContact CD-O 3.41Å; R687-V798 PolarHBondContact NE-O 3.42Å; R687-V798 PolarHBondContact NH1-O 2.91Å; R687-L800 HydrophobicContact CG-CD1 4.43Å; R687-L800 HydrophobicContact CG-CD2 3.71Å; R687-L800 HydrophobicContact CG-CG 3.85Å
688R95.1Very high95.1Very high42 Ų4220.4 Ų20.416%0.15810%0.1CC..Hα-helixtrans-63.8-36.3178.2-70.5170.9178.1175.98.1112.7P684 H686 G692 V714 Y718 H719 E796P684-R688 WeakPolarHBondContact O-CB 3.3Å; P684-R688 WeakPolarHBondContact O-CG 3.35Å; P684-R688 PolarHBondContact O-N 3.47Å; H686-R688 PolarHBondContact O-N 3.24Å; R688-G692 PolarHBondContact O-N 3.33Å; R688-V714 HydrophobicContact CB-CG1 4.18Å; R688-Y718 WeakPolarHBondContact CD-O 3.31Å; R688-Y718 PolarHBondContact NE-O 3.01Å; R688-Y718 PolarHBondContact NH1-O 3.38Å; R688-H719 PolarHBondContact NH1-ND1 3.39Å; R688-H719 VanDerWaalsContact NH1-ND1 3.14Å; R688-E796 IonicContact CZ-OE1 2.78Å; R688-E796 IonicContact CZ-OE2 3.74Å; R688-E796 IonicContact NE-OE1 3.25Å; R688-E796 IonicContact NE-OE2 2.86Å; R688-E796 PolarHBondContact NE-OE2 3.41Å; R688-E796 IonicContact NH2-OE1 3.23Å; R688-E796 PolarHBondContact NH2-OE1 2.94Å; R688-E796 IonicContact NH2-OE2 2.78Å; R688-E796 PolarHBondContact NH2-OE2 2.96Å
689I96.4Very high95Very high0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-64.5-51.2174-69.5161.1000110.6V685 H686 R687 Y691 G692 M693 V714 I726 M730 M733V685-I689 HydrophobicContact CG2-CD1 4.02Å; V685-I689 WeakPolarHBondContact O-CD1 3.48Å; V685-I689 WeakPolarHBondContact O-CG1 3.49Å; V685-I689 PolarHBondContact O-N 2.89Å; H686-I689 PolarHBondContact O-N 3.2Å; R687-I689 VanDerWaalsContact C-N 3.34Å; R687-I689 PolarHBondContact O-N 2.9Å; I689-Y691 PolarHBondContact O-N 3.12Å; I689-G692 PolarHBondContact O-N 3.21Å; I689-M693 HydrophobicContact CG2-CG 4.38Å; I689-M693 HydrophobicContact CG2-SD 3.76Å; I689-M693 WeakPolarHBondContact O-CB 3.37Å; I689-M693 WeakPolarHBondContact O-CG 3.47Å; I689-M693 PolarHBondContact O-N 2.89Å; I689-V714 HydrophobicContact CG1-CG1 4.33Å; I689-I726 HydrophobicContact CD1-CG2 4.03Å; I689-I726 WeakPolarHBondContact CD1-O 3.42Å; I689-I726 HydrophobicContact CG1-CG2 3.83Å; I689-M730 HydrophobicContact CD1-CB 4.2Å; I689-M730 HydrophobicContact CG2-CB 4.32Å; I689-M730 HydrophobicContact CG2-CG 4.25Å; I689-M733 HydrophobicContact CB-CE 3.89Å; I689-M733 HydrophobicContact CD1-CE 3.8Å; I689-M733 HydrophobicContact CG1-CE 4.46Å; I689-M733 HydrophobicContact CG2-CE 3.58Å
690L97.3Very high94.9Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-62.9-44.2-179.2-63.3-179000111.6L682 H686 R687 M693 N694 M733 L743 V744 L768 L776 L800L682-L690 HydrophobicContact CD1-CD1 3.77Å; H686-L690 WeakPolarHBondContact O-CG 3.48Å; H686-L690 PolarHBondContact O-N 3.45Å; R687-L690 PolarHBondContact O-N 3Å; L690-M693 PolarHBondContact O-N 3.44Å; L690-N694 PolarHBondContact O-N 3.05Å; L690-M733 HydrophobicContact CD2-SD 4.31Å; L690-M733 HydrophobicContact CG-SD 4.49Å; L690-L743 HydrophobicContact CD1-CD1 4Å; L690-L743 HydrophobicContact CD2-CB 4.11Å; L690-V744 HydrophobicContact CD2-CG2 4.47Å; L690-L768 HydrophobicContact CB-CD2 4.49Å; L690-L768 HydrophobicContact CD2-CD2 3.65Å; L690-L776 HydrophobicContact CB-CD1 4.22Å; L690-L776 HydrophobicContact CB-CD2 4.5Å; L690-L800 HydrophobicContact CB-CD1 4.38Å; L690-L800 HydrophobicContact CD1-CD1 4.11Å
691Y96.7Very high94.8Very high19 Ų1925 Ų258%0.07513%0.131CC..Hα-helixtrans-63.9-48.8176.6-177.8-113.4000112R687 I689 M693 N694 E695 Y718 I779 F786 P797R687-Y691 VanDerWaalsContact O-CB 3.32Å; R687-Y691 WeakPolarHBondContact O-CB 3.11Å; R687-Y691 PolarHBondContact O-N 3.08Å; I689-Y691 PolarHBondContact O-N 3.12Å; Y691-M693 VanDerWaalsContact C-N 3.31Å; Y691-M693 PolarHBondContact O-N 3.32Å; Y691-N694 WeakPolarHBondContact O-CA 3.25Å; Y691-N694 VanDerWaalsContact O-CB 3.32Å; Y691-N694 WeakPolarHBondContact O-CB 3.46Å; Y691-N694 PolarHBondContact O-N 2.88Å; Y691-E695 HydrophobicContact CD1-CG 4.39Å; Y691-E695 HydrophobicContact CD2-CG 4.45Å; Y691-E695 HydrophobicContact CE1-CG 3.96Å; Y691-E695 HydrophobicContact CE2-CG 4.01Å; Y691-E695 PolarHBondContact O-N 3.2Å; Y691-Y718 HydrophobicContact CD1-CE1 4.06Å; Y691-Y718 HydrophobicContact CD1-CE2 4.05Å; Y691-Y718 AromaticContact CD1-CZ 3.77Å; Y691-Y718 AromaticContact CE1-CE1 3.75Å; Y691-Y718 HydrophobicContact CE1-CE1 3.75Å; Y691-Y718 HydrophobicContact CE1-CE2 4.28Å; Y691-Y718 AromaticContact CE1-CZ 3.55Å; Y691-Y718 WeakPolarHBondContact CE1-OH 3.27Å; Y691-I779 HydrophobicContact CD2-CD1 3.96Å; Y691-I779 HydrophobicContact CE2-CD1 4.24Å; Y691-F786 HydrophobicContact CE2-CE1 4.16Å; Y691-F786 AromaticContact CZ-CE1 3.96Å; Y691-P797 HydrophobicContact CD1-CG 4.26Å; Y691-P797 HydrophobicContact CD2-CG 3.88Å; Y691-P797 HydrophobicContact CE2-CG 4.32Å; Y691-P797 HydrophobicContact CG-CG 3.85Å
692G95Very high94.7Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-62-36.6177.200000113.1R688 I689 N694 E695 L696R688-G692 PolarHBondContact O-N 3.33Å; I689-G692 PolarHBondContact O-N 3.21Å; G692-N694 VanDerWaalsContact C-N 3.34Å; G692-E695 PolarHBondContact O-N 2.9Å; G692-L696 VanDerWaalsContact O-CB 3.31Å; G692-L696 WeakPolarHBondContact O-CB 3.48Å; G692-L696 WeakPolarHBondContact O-CG 3.45Å; G692-L696 PolarHBondContact O-N 3.19Å
693M96.8Very high94.7Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-65.3-36.7172.4-72.5177.374.500112.4I689 L690 Y691 G697 V698 I710 M730 V744 R767 L768I689-M693 HydrophobicContact CG2-CG 4.38Å; I689-M693 HydrophobicContact CG2-SD 3.76Å; I689-M693 WeakPolarHBondContact O-CB 3.37Å; I689-M693 WeakPolarHBondContact O-CG 3.47Å; I689-M693 PolarHBondContact O-N 2.89Å; L690-M693 PolarHBondContact O-N 3.44Å; Y691-M693 VanDerWaalsContact C-N 3.31Å; Y691-M693 PolarHBondContact O-N 3.32Å; M693-G697 PolarHBondContact O-N 2.9Å; M693-V698 HydrophobicContact CB-CB 4.47Å; M693-V698 PolarHBondContact O-N 3.18Å; M693-I710 HydrophobicContact CE-CD1 3.98Å; M693-I710 HydrophobicContact CG-CD1 4.31Å; M693-I710 HydrophobicContact CG-CG1 4.34Å; M693-I710 HydrophobicContact CG-CG2 3.44Å; M693-I710 VanDerWaalsContact CG-CG2 3.44Å; M693-I710 HydrophobicContact SD-CD1 4.47Å; M693-I710 HydrophobicContact SD-CG2 4.13Å; M693-M730 HydrophobicContact SD-SD 4.4Å; M693-V744 HydrophobicContact CE-CG1 4.34Å; M693-V744 HydrophobicContact SD-CG2 4.18Å; M693-R767 VanDerWaalsContact CE-CA 3.45Å; M693-L768 HydrophobicContact CB-CD1 4.29Å; M693-L768 HydrophobicContact CB-CD2 3.94Å; M693-L768 HydrophobicContact CB-CG 3.91Å; M693-L768 HydrophobicContact CE-CD2 4.3Å; M693-L768 HydrophobicContact CE-CG 4.24Å; M693-L768 HydrophobicContact SD-CD2 4.22Å
694N95.4Very high94.8Very high37 Ų3734.6 Ų34.620%0.19818%0.182CC..Hα-helixtrans-66.4-47.7175.1-172.165.2000111.8L690 Y691 G692 L696 G697 L768 L776L690-N694 PolarHBondContact O-N 3.05Å; Y691-N694 WeakPolarHBondContact O-CA 3.25Å; Y691-N694 VanDerWaalsContact O-CB 3.32Å; Y691-N694 WeakPolarHBondContact O-CB 3.46Å; Y691-N694 PolarHBondContact O-N 2.88Å; G692-N694 VanDerWaalsContact C-N 3.34Å; N694-L696 VanDerWaalsContact C-N 3.33Å; N694-L696 PolarHBondContact O-N 3.3Å; N694-G697 VanDerWaalsContact O-CA 3.3Å; N694-G697 WeakPolarHBondContact O-CA 3.47Å; N694-G697 PolarHBondContact O-N 3.41Å; N694-L768 HydrophobicContact CB-CD1 4.25Å; N694-L776 HydrophobicContact CB-CD1 3.94Å; N694-L776 HydrophobicContact CB-CD2 4.38Å
695E93.5Very high95.1Very high104 Ų10436.3 Ų36.349%0.48619%0.187SC..Hα-helixtrans-62.8-38.2177.7-72.4-57.9106.100112.2Y691 G692 G697Y691-E695 HydrophobicContact CD1-CG 4.39Å; Y691-E695 HydrophobicContact CD2-CG 4.45Å; Y691-E695 HydrophobicContact CE1-CG 3.96Å; Y691-E695 HydrophobicContact CE2-CG 4.01Å; Y691-E695 PolarHBondContact O-N 3.2Å; G692-E695 PolarHBondContact O-N 2.9Å; E695-G697 PolarHBondContact O-N 3.01Å; E695-G697 VanDerWaalsContact O-N 3.15Å
696L93.3Very high95.3Very high31 Ų3139.8 Ų39.816%0.16220%0.201CC..THydrogen-bonded Turntrans-69.4-4.7171-78.4177.9000113.9G692 N694 V698 K705 I710 D713G692-L696 VanDerWaalsContact O-CB 3.31Å; G692-L696 WeakPolarHBondContact O-CB 3.48Å; G692-L696 WeakPolarHBondContact O-CG 3.45Å; G692-L696 PolarHBondContact O-N 3.19Å; N694-L696 VanDerWaalsContact C-N 3.33Å; N694-L696 PolarHBondContact O-N 3.3Å; L696-V698 HydrophobicContact CB-CG2 3.58Å; L696-V698 HydrophobicContact CD1-CG2 4.45Å; L696-V698 PolarHBondContact O-N 3.37Å; L696-K705 PolarHBondContact O-NZ 3.36Å; L696-I710 HydrophobicContact CD1-CG1 4.39Å; L696-D713 HydrophobicContact CD1-CB 3.69Å; L696-D713 HydrophobicContact CD2-CB 4.2Å; L696-D713 HydrophobicContact CG-CB 4.17Å; L696-D713 WeakPolarHBondContact CG-OD2 3.42Å
697G93.5Very high95.4Very high16 Ų1638.8 Ų38.817%0.16520%0.196CC..THydrogen-bonded Turntrans61.139.7-176.700000112.9M693 N694 E695 T699 K702M693-G697 PolarHBondContact O-N 2.9Å; N694-G697 VanDerWaalsContact O-CA 3.3Å; N694-G697 WeakPolarHBondContact O-CA 3.47Å; N694-G697 PolarHBondContact O-N 3.41Å; E695-G697 PolarHBondContact O-N 3.01Å; E695-G697 VanDerWaalsContact O-N 3.15Å; G697-T699 VanDerWaalsContact C-N 3.33Å; G697-T699 PolarHBondContact O-N 3.21Å; G697-K702 WeakPolarHBondContact O-CD 3.48Å; G697-K702 PolarHBondContact O-NZ 2.91Å
698V94.2Very high95.3Very high0 Ų039.5 Ų39.50%021%0.207CC..  trans-93.663.5179.5-1590000110.6M693 L696 K705 I710 A766 R767 L768M693-V698 HydrophobicContact CB-CB 4.47Å; M693-V698 PolarHBondContact O-N 3.18Å; L696-V698 HydrophobicContact CB-CG2 3.58Å; L696-V698 HydrophobicContact CD1-CG2 4.45Å; L696-V698 PolarHBondContact O-N 3.37Å; V698-K705 HydrophobicContact CG1-CB 4.25Å; V698-K705 HydrophobicContact CG1-CD 4.31Å; V698-K705 HydrophobicContact CG1-CG 4.14Å; V698-K705 HydrophobicContact CG2-CD 3.77Å; V698-K705 HydrophobicContact CG2-CG 4.48Å; V698-I710 HydrophobicContact CG1-CD1 4.48Å; V698-A766 WeakPolarHBondContact CG1-O 3.45Å; V698-R767 HydrophobicContact CG1-CB 3.69Å; V698-L768 WeakPolarHBondContact O-CG 3.37Å; V698-L768 PolarHBondContact O-N 2.95Å
699T94.8Very high95.4Very high14 Ų1444.9 Ų44.99%0.08623%0.227CC..  trans-93.9162.9-172.851.40000112.4G697 D701 K702 M773G697-T699 VanDerWaalsContact C-N 3.33Å; G697-T699 PolarHBondContact O-N 3.21Å; T699-D701 WeakPolarHBondContact CB-OD1 3.07Å; T699-D701 PolarHBondContact O-N 2.98Å; T699-D701 PolarHBondContact OG1-OD1 3.09Å; T699-K702 PolarHBondContact O-N 2.7Å; T699-M773 HydrophobicContact CG2-CE 4.15Å; T699-M773 HydrophobicContact CG2-SD 3.89Å
700P94.8Very high95.3Very high21 Ų2144.9 Ų44.914%0.13623%0.227CC..THydrogen-bonded Turntrans-63.5-22-174.6-16.225.2000115K702 R767 L768 S769 K770 M773P700-K702 VanDerWaalsContact C-N 3.26Å; P700-R767 PolarHBondContact O-NH1 3.07Å; P700-L768 VanDerWaalsContact CG-O 3.31Å; P700-L768 WeakPolarHBondContact CG-O 3Å; P700-S769 WeakPolarHBondContact CG-O 3.47Å; P700-K770 HydrophobicContact CB-CG 3.94Å; P700-K770 HydrophobicContact CG-CG 4.32Å; P700-M773 HydrophobicContact CG-CG 3.75Å; P700-M773 HydrophobicContact CG-SD 4.43Å
701D94.4Very high95.2Very high129 Ų12945 Ų4569%0.6923%0.228SC*.THydrogen-bonded Turntrans-77.4-10.2176.360.1-57.9000113.1T699T699-D701 WeakPolarHBondContact CB-OD1 3.07Å; T699-D701 PolarHBondContact O-N 2.98Å; T699-D701 PolarHBondContact OG1-OD1 3.09Å
702K94.5Very high95.1Very high91 Ų9145.8 Ų45.840%0.39624%0.242SC..SBendtrans-110.6161.3-178.9-67.1171.4-171.2167.50111.7G697 T699 P700 R767G697-K702 WeakPolarHBondContact O-CD 3.48Å; G697-K702 PolarHBondContact O-NZ 2.91Å; T699-K702 PolarHBondContact O-N 2.7Å; P700-K702 VanDerWaalsContact C-N 3.26Å; K702-R767 WeakPolarHBondContact O-CD 3.43Å; K702-R767 PolarHBondContact O-NH1 3.22Å
703P95.3Very high95Very high104 Ų10447.3 Ų47.368%0.67525%0.25SS*.  trans-60.2151.5173.6-22.433.7000112.2
704H96.4Very high94.8Very high41 Ų4147.3 Ų47.319%0.1925%0.25CS..  trans-58149.5170.9-58.972.8000111D745 E765 R767H704-D745 PolarHBondContact CD2-O 3.24Å; H704-D745 IonicContact CE1-OD1 2.82Å; H704-D745 IonicContact CE1-OD2 3.39Å; H704-D745 VanDerWaalsContact NE2-CG 3.28Å; H704-D745 PolarHBondContact NE2-O 3.08Å; H704-D745 IonicContact NE2-OD1 3.5Å; H704-D745 PolarHBondContact NE2-OD1 3.06Å; H704-D745 IonicContact NE2-OD2 2.8Å; H704-D745 PolarHBondContact NE2-OD2 3.35Å; H704-E765 HydrophobicContact CB-CB 3.65Å; H704-R767 PolarHBondContact CE1-NE 3.21Å; H704-R767 VanDerWaalsContact CE1-NE 3.26Å; H704-R767 PolarHBondContact NE2-NE 2.95Å
705K95.6Very high94.6Very high55 Ų5549.1 Ų49.124%0.23926%0.258CS..EExtended strand (participates in β ladder)trans-115.6150.9173.2-66.9-171.6-169.5170.70109.7L696 V698 S707 E765 A766L696-K705 PolarHBondContact O-NZ 3.36Å; V698-K705 HydrophobicContact CG1-CB 4.25Å; V698-K705 HydrophobicContact CG1-CD 4.31Å; V698-K705 HydrophobicContact CG1-CG 4.14Å; V698-K705 HydrophobicContact CG2-CD 3.77Å; V698-K705 HydrophobicContact CG2-CG 4.48Å; K705-S707 PolarHBondContact O-N 2.84Å; K705-E765 CarbonylContact O-C 3.58Å; K705-E765 WeakPolarHBondContact O-CA 3.31Å; K705-A766 PolarHBondContact N-O 3.09Å; K705-A766 PolarHBondContact O-N 3.16Å
706K96.8Very high94.2Very high90 Ų9046.2 Ų46.239%0.39126%0.256SS..EExtended strand (participates in β ladder)trans-52130.3174.8-72.4-67-177-148.40111.1A708 R709 R762 Y763 E765K706-A708 PolarHBondContact O-N 2.82Å; K706-R709 WeakPolarHBondContact O-CB 3.4Å; K706-R709 PolarHBondContact O-N 2.95Å; K706-R762 WeakPolarHBondContact CD-O 3.16Å; K706-Y763 PolarHBondContact NZ-O 2.65Å; K706-E765 HydrophobicContact CD-CG 3.71Å; K706-E765 WeakPolarHBondContact CE-OE1 3.48Å; K706-E765 HydrophobicContact CG-CG 4.34Å; K706-E765 IonicContact NZ-OE1 3.31Å; K706-E765 PolarHBondContact NZ-OE1 3.18Å
707S96.6Very high94Very high0 Ų047.6 Ų47.60%026%0.261CS..Hα-helixtrans-56.2-38-178.6-660000112.1K705 R709 I710 V711 M730 M761 T764K705-S707 PolarHBondContact O-N 2.84Å; S707-R709 PolarHBondContact O-N 3.05Å; S707-I710 PolarHBondContact O-N 2.93Å; S707-V711 WeakPolarHBondContact O-CG2 3.33Å; S707-V711 PolarHBondContact O-N 2.87Å; S707-M730 VanDerWaalsContact CB-CE 3.47Å; S707-M761 WeakPolarHBondContact CB-O 3.33Å; S707-T764 WeakPolarHBondContact CB-OG1 3.47Å; S707-T764 PolarHBondContact N-O 3.37Å; S707-T764 PolarHBondContact OG-O 3.18Å; S707-T764 PolarHBondContact OG-OG1 3.36Å
708A95.8Very high93.7Very high36 Ų3647 Ų4730%0.29825%0.253SS..Hα-helixtrans-55.7-33.6176.100000113.8K706 G712 M761K706-A708 PolarHBondContact O-N 2.82Å; A708-G712 PolarHBondContact O-N 3.41Å; A708-M761 HydrophobicContact CB-CB 4.37Å; A708-M761 HydrophobicContact CB-CG 3.96Å; A708-M761 HydrophobicContact CB-SD 4.11Å; A708-M761 PolarHBondContact N-O 3.35Å
709R95.3Very high93.3Very high154 Ų15447.4 Ų47.458%0.58126%0.256SS*.Hα-helixtrans-69.7-40.5177.4-178.2175.8177.6163.42.7111.6K706 S707 D713K706-R709 WeakPolarHBondContact O-CB 3.4Å; K706-R709 PolarHBondContact O-N 2.95Å; S707-R709 PolarHBondContact O-N 3.05Å; R709-D713 PolarHBondContact O-N 3.36Å
710I95.7Very high92.5Very high1 Ų149.6 Ų49.61%0.00527%0.27CS..Hα-helixtrans-67.2-47.8177.7-63.3160.5000109.4M693 L696 V698 S707 G712 D713 V714 M730 A766M693-I710 HydrophobicContact CE-CD1 3.98Å; M693-I710 HydrophobicContact CG-CD1 4.31Å; M693-I710 HydrophobicContact CG-CG1 4.34Å; M693-I710 HydrophobicContact CG-CG2 3.44Å; M693-I710 VanDerWaalsContact CG-CG2 3.44Å; M693-I710 HydrophobicContact SD-CD1 4.47Å; M693-I710 HydrophobicContact SD-CG2 4.13Å; L696-I710 HydrophobicContact CD1-CG1 4.39Å; V698-I710 HydrophobicContact CG1-CD1 4.48Å; S707-I710 PolarHBondContact O-N 2.93Å; I710-G712 PolarHBondContact O-N 2.87Å; I710-D713 PolarHBondContact O-N 2.85Å; I710-V714 HydrophobicContact CG2-CG2 4.31Å; I710-V714 VanDerWaalsContact O-CG2 3.31Å; I710-V714 WeakPolarHBondContact O-CG2 3.42Å; I710-V714 PolarHBondContact O-N 2.89Å; I710-M730 HydrophobicContact CB-SD 4.33Å; I710-M730 HydrophobicContact CD1-SD 4.23Å; I710-M730 HydrophobicContact CG2-SD 3.94Å; I710-A766 HydrophobicContact CD1-CB 3.95Å
711V95.4Very high91.6Very high2 Ų251.9 Ų51.91%0.01228%0.279CS..Hα-helixtrans-59-46.6178.8173.50000111.1S707 D713 V714 M715 D723 I726 Y727 M730 M761S707-V711 WeakPolarHBondContact O-CG2 3.33Å; S707-V711 PolarHBondContact O-N 2.87Å; V711-D713 PolarHBondContact O-N 2.79Å; V711-V714 PolarHBondContact O-N 3.36Å; V711-M715 WeakPolarHBondContact O-CB 3.37Å; V711-M715 PolarHBondContact O-N 3.19Å; V711-D723 HydrophobicContact CG1-CB 3.77Å; V711-I726 HydrophobicContact CB-CG2 4.42Å; V711-I726 HydrophobicContact CG1-CB 4.18Å; V711-I726 HydrophobicContact CG1-CG2 4.24Å; V711-I726 HydrophobicContact CG2-CG2 4.16Å; V711-Y727 HydrophobicContact CG2-CD2 4.09Å; V711-Y727 HydrophobicContact CG2-CG 4.5Å; V711-M730 HydrophobicContact CG2-CE 3.91Å; V711-M761 HydrophobicContact CB-SD 4Å; V711-M761 HydrophobicContact CG1-SD 3.91Å; V711-M761 HydrophobicContact CG2-SD 4.18Å
712G93.1Very high90.6Very high36 Ų3647.8 Ų47.837%0.37127%0.267SS..Hα-helixtrans-62-39.5178.800000113.9A708 I710 G716A708-G712 PolarHBondContact O-N 3.41Å; I710-G712 PolarHBondContact O-N 2.87Å; G712-G716 PolarHBondContact O-N 2.71Å
713D93.3Very high90.2Very high32 Ų3247 Ų4717%0.17127%0.267CS..Hα-helixtrans-70.8-45.5178.4-167.381.9000111.9L696 R709 I710 V711 M715 G716 K717L696-D713 HydrophobicContact CD1-CB 3.69Å; L696-D713 HydrophobicContact CD2-CB 4.2Å; L696-D713 HydrophobicContact CG-CB 4.17Å; L696-D713 WeakPolarHBondContact CG-OD2 3.42Å; R709-D713 PolarHBondContact O-N 3.36Å; I710-D713 PolarHBondContact O-N 2.85Å; V711-D713 PolarHBondContact O-N 2.79Å; D713-M715 VanDerWaalsContact C-N 3.29Å; D713-M715 PolarHBondContact O-N 3.43Å; D713-G716 PolarHBondContact O-N 2.67Å; D713-K717 WeakPolarHBondContact O-CB 3.29Å; D713-K717 PolarHBondContact O-N 3.47Å; D713-K717 WeakPolarHBondContact OD1-CE 3.21Å; D713-K717 IonicContact OD1-NZ 2.7Å; D713-K717 PolarHBondContact OD1-NZ 3.06Å; D713-K717 IonicContact OD2-NZ 3.48Å; D713-K717 PolarHBondContact OD2-NZ 2.8Å
714V93.6Very high89.8Confident0 Ų045.2 Ų45.20%026%0.257CS..Hα-helixtrans-61.5-41.6176.1174.70000110.5R688 I689 I710 V711 Y718 H719 I726R688-V714 HydrophobicContact CB-CG1 4.18Å; I689-V714 HydrophobicContact CG1-CG1 4.33Å; I710-V714 HydrophobicContact CG2-CG2 4.31Å; I710-V714 VanDerWaalsContact O-CG2 3.31Å; I710-V714 WeakPolarHBondContact O-CG2 3.42Å; I710-V714 PolarHBondContact O-N 2.89Å; V711-V714 PolarHBondContact O-N 3.36Å; V714-Y718 PolarHBondContact O-N 3.32Å; V714-H719 HydrophobicContact CG1-CB 4.01Å; V714-H719 PolarHBondContact O-N 3.19Å; V714-I726 HydrophobicContact CB-CG2 4.23Å; V714-I726 HydrophobicContact CG1-CD1 4.24Å; V714-I726 HydrophobicContact CG1-CG2 4.01Å
715M90.5Very high89.4Confident75 Ų7545.1 Ų45.137%0.36926%0.263SS..Hα-helixtrans-63.3-46.5177.9-172.8177.273.800111.9V711 D713 K717 H719 D723 I726V711-M715 WeakPolarHBondContact O-CB 3.37Å; V711-M715 PolarHBondContact O-N 3.19Å; D713-M715 VanDerWaalsContact C-N 3.29Å; D713-M715 PolarHBondContact O-N 3.43Å; M715-K717 PolarHBondContact O-N 3.38Å; M715-H719 VanDerWaalsContact CA-O 3.31Å; M715-H719 WeakPolarHBondContact CA-O 3.46Å; M715-H719 CarbonylContact O-C 3.58Å; M715-D723 HydrophobicContact SD-CB 4.29Å; M715-I726 HydrophobicContact CB-CD1 3.67Å; M715-I726 HydrophobicContact CG-CD1 4.22Å
716G85.9Confident89.2Confident43 Ų4342.5 Ų42.544%0.44325%0.252SS..Hα-helixtrans-76.8-14.5-17600000115.5G712 D713 Y790G712-G716 PolarHBondContact O-N 2.71Å; D713-G716 PolarHBondContact O-N 2.67Å; G716-Y790 PolarHBondContact O-OH 3.21Å
717K88Confident89.2Confident59 Ų5939.3 Ų39.326%0.25724%0.237SC..Hα-helixtrans-118-36.7-178.9-68.5176.4179.6158.70114.5D713 M715 N789 Y790D713-K717 WeakPolarHBondContact O-CB 3.29Å; D713-K717 PolarHBondContact O-N 3.47Å; D713-K717 WeakPolarHBondContact OD1-CE 3.21Å; D713-K717 IonicContact OD1-NZ 2.7Å; D713-K717 PolarHBondContact OD1-NZ 3.06Å; D713-K717 IonicContact OD2-NZ 3.48Å; D713-K717 PolarHBondContact OD2-NZ 2.8Å; M715-K717 PolarHBondContact O-N 3.38Å; K717-N789 WeakPolarHBondContact O-CB 3.46Å; K717-N789 PolarHBondContact O-ND2 3.38Å; K717-Y790 WeakPolarHBondContact O-CE1 3.31Å
718Y88.5Confident89.1Confident3 Ų345.1 Ų45.11%0.01226%0.264CS..THydrogen-bonded Turntrans-126.9-34.1-166.9-52.6-61.6000113.7R688 Y691 V714 N789 E794 E796R688-Y718 WeakPolarHBondContact CD-O 3.31Å; R688-Y718 PolarHBondContact NE-O 3.01Å; R688-Y718 PolarHBondContact NH1-O 3.38Å; Y691-Y718 HydrophobicContact CD1-CE1 4.06Å; Y691-Y718 HydrophobicContact CD1-CE2 4.05Å; Y691-Y718 AromaticContact CD1-CZ 3.77Å; Y691-Y718 AromaticContact CE1-CE1 3.75Å; Y691-Y718 HydrophobicContact CE1-CE1 3.75Å; Y691-Y718 HydrophobicContact CE1-CE2 4.28Å; Y691-Y718 AromaticContact CE1-CZ 3.55Å; Y691-Y718 WeakPolarHBondContact CE1-OH 3.27Å; V714-Y718 PolarHBondContact O-N 3.32Å; Y718-N789 HydrophobicContact CD1-CB 4.49Å; Y718-E794 HydrophobicContact CE1-CB 4.32Å; Y718-E796 HydrophobicContact CD1-CB 3.9Å; Y718-E796 HydrophobicContact CE1-CB 4.26Å
719H84.9Confident89Confident10 Ų1044.3 Ų44.35%0.04626%0.257CS..  trans-129.982.2-170.5-155.977.1000111.3R688 V714 M715 H721 I726R688-H719 PolarHBondContact NH1-ND1 3.39Å; R688-H719 VanDerWaalsContact NH1-ND1 3.14Å; V714-H719 HydrophobicContact CG1-CB 4.01Å; V714-H719 PolarHBondContact O-N 3.19Å; M715-H719 VanDerWaalsContact CA-O 3.31Å; M715-H719 WeakPolarHBondContact CA-O 3.46Å; M715-H719 CarbonylContact O-C 3.58Å; H719-H721 AromaticContact CD2-CD2 3.96Å; H719-H721 AromaticContact CE1-CD2 3.62Å; H719-H721 AromaticContact NE2-CD2 3.45Å; H719-H721 PolarHBondContact NE2-CD2 2.96Å; H719-H721 PolarHBondContact O-N 2.9Å; H719-I726 HydrophobicContact CB-CD1 4.08Å; H719-I726 HydrophobicContact CB-CG1 4.38Å
720P78.4Confident89Confident59 Ų5937 Ų3738%0.38323%0.229SC..  trans-77.549.5-173.937.2-39.5000111.4Y790P720-Y790 HydrophobicContact CB-CD1 3.97Å; P720-Y790 HydrophobicContact CB-CD2 4.02Å; P720-Y790 HydrophobicContact CB-CE1 3.9Å; P720-Y790 HydrophobicContact CB-CE2 4.02Å; P720-Y790 HydrophobicContact CB-CG 4.02Å; P720-Y790 VanDerWaalsContact CD-CD1 3.48Å; P720-Y790 HydrophobicContact CG-CD1 3.63Å; P720-Y790 HydrophobicContact CG-CD2 3.91Å; P720-Y790 HydrophobicContact CG-CE1 4.09Å; P720-Y790 HydrophobicContact CG-CE2 4.4Å; P720-Y790 HydrophobicContact CG-CG 3.52Å
721H75Confident89Confident70 Ų7037.4 Ų37.432%0.32423%0.232SC..SBendtrans-125.9165.3178-60.6-34.5000108.6H719 D723H719-H721 AromaticContact CD2-CD2 3.96Å; H719-H721 AromaticContact CE1-CD2 3.62Å; H719-H721 AromaticContact NE2-CD2 3.45Å; H719-H721 PolarHBondContact NE2-CD2 2.96Å; H719-H721 PolarHBondContact O-N 2.9Å; H721-D723 PolarHBondContact O-N 3.27Å
722G73.3Confident88.9Confident43 Ų4343.5 Ų43.544%0.44326%0.255SS..  trans-48.6140.5-174.200000113.7S724 A725G722-S724 PolarHBondContact O-N 3.5Å; G722-S724 VanDerWaalsContact O-N 3.16Å; G722-A725 PolarHBondContact O-N 2.98Å; G722-A725 VanDerWaalsContact O-N 3.14Å
723D86.5Confident89.1Confident75 Ų7541.8 Ų41.840%0.40124%0.237SC..Hα-helixtrans-52.4-34.5177.462.1-21.5000113.1V711 M715 H721 A725 I726 Y727 M761V711-D723 HydrophobicContact CG1-CB 3.77Å; M715-D723 HydrophobicContact SD-CB 4.29Å; H721-D723 PolarHBondContact O-N 3.27Å; D723-A725 PolarHBondContact O-N 3.38Å; D723-I726 PolarHBondContact O-N 3.47Å; D723-Y727 WeakPolarHBondContact O-CB 3.47Å; D723-Y727 PolarHBondContact O-N 3.22Å; D723-M761 HydrophobicContact CB-CE 4.15Å; D723-M761 WeakPolarHBondContact OD2-CE 3.4Å
724S87.8Confident89.2Confident65 Ų6540.8 Ų40.846%0.45523%0.233SC..Hα-helixtrans-56-47176.759.30000113.1G722 I726 Y727 E728G722-S724 PolarHBondContact O-N 3.5Å; G722-S724 VanDerWaalsContact O-N 3.16Å; S724-I726 VanDerWaalsContact C-N 3.34Å; S724-I726 PolarHBondContact O-N 3.45Å; S724-Y727 PolarHBondContact O-N 3.28Å; S724-E728 WeakPolarHBondContact O-CB 3.45Å; S724-E728 VanDerWaalsContact O-CG 3.27Å; S724-E728 WeakPolarHBondContact O-CG 3.27Å; S724-E728 PolarHBondContact O-N 2.93Å
725A86.9Confident89.3Confident39 Ų3942.1 Ų42.132%0.32224%0.239SC..Hα-helixtrans-65.5-39-177.300000112G722 D723 S729G722-A725 PolarHBondContact O-N 2.98Å; G722-A725 VanDerWaalsContact O-N 3.14Å; D723-A725 PolarHBondContact O-N 3.38Å; A725-S729 VanDerWaalsContact O-CB 3.29Å; A725-S729 WeakPolarHBondContact O-CB 3.49Å; A725-S729 PolarHBondContact O-N 2.67Å; A725-S729 PolarHBondContact O-OG 3.16Å
726I93.2Very high89.4Confident0 Ų041.9 Ų41.90%025%0.245CC..Hα-helixtrans-68.5-47.9176.9-57.4170.5000109.6I689 V711 V714 M715 H719 D723 S724 S729 M730I689-I726 HydrophobicContact CD1-CG2 4.03Å; I689-I726 WeakPolarHBondContact CD1-O 3.42Å; I689-I726 HydrophobicContact CG1-CG2 3.83Å; V711-I726 HydrophobicContact CB-CG2 4.42Å; V711-I726 HydrophobicContact CG1-CB 4.18Å; V711-I726 HydrophobicContact CG1-CG2 4.24Å; V711-I726 HydrophobicContact CG2-CG2 4.16Å; V714-I726 HydrophobicContact CB-CG2 4.23Å; V714-I726 HydrophobicContact CG1-CD1 4.24Å; V714-I726 HydrophobicContact CG1-CG2 4.01Å; M715-I726 HydrophobicContact CB-CD1 3.67Å; M715-I726 HydrophobicContact CG-CD1 4.22Å; H719-I726 HydrophobicContact CB-CD1 4.08Å; H719-I726 HydrophobicContact CB-CG1 4.38Å; D723-I726 PolarHBondContact O-N 3.47Å; S724-I726 VanDerWaalsContact C-N 3.34Å; S724-I726 PolarHBondContact O-N 3.45Å; I726-S729 PolarHBondContact O-N 2.83Å; I726-M730 PolarHBondContact O-N 2.66Å
727Y96.1Very high89.7Confident23 Ų2342.2 Ų42.29%0.0923%0.234CC..Hα-helixtrans-65.1-46.5-177.7-176-120.2000112.3V711 D723 S724 S729 M730 V731 A759 M761 T764V711-Y727 HydrophobicContact CG2-CD2 4.09Å; V711-Y727 HydrophobicContact CG2-CG 4.5Å; D723-Y727 WeakPolarHBondContact O-CB 3.47Å; D723-Y727 PolarHBondContact O-N 3.22Å; S724-Y727 PolarHBondContact O-N 3.28Å; Y727-S729 VanDerWaalsContact C-N 3.29Å; Y727-S729 PolarHBondContact O-N 2.82Å; Y727-M730 HydrophobicContact CD2-CE 3.64Å; Y727-M730 HydrophobicContact CE2-CE 3.97Å; Y727-M730 PolarHBondContact O-N 3.08Å; Y727-V731 HydrophobicContact CD1-CG2 4.2Å; Y727-V731 HydrophobicContact CD2-CG2 4.18Å; Y727-V731 HydrophobicContact CE1-CG2 3.8Å; Y727-V731 HydrophobicContact CE2-CG2 3.74Å; Y727-V731 HydrophobicContact CG-CG2 4.38Å; Y727-V731 WeakPolarHBondContact O-CB 3.49Å; Y727-V731 VanDerWaalsContact O-CG2 3.27Å; Y727-V731 WeakPolarHBondContact O-CG2 3.41Å; Y727-V731 PolarHBondContact O-N 3.04Å; Y727-A759 WeakPolarHBondContact CE1-O 3.5Å; Y727-A759 PolarHBondContact OH-O 3.26Å; Y727-M761 HydrophobicContact CD1-CB 4.13Å; Y727-M761 HydrophobicContact CD2-CB 3.48Å; Y727-M761 VanDerWaalsContact CD2-CB 3.48Å; Y727-M761 HydrophobicContact CE1-CB 4.13Å; Y727-M761 HydrophobicContact CE2-CB 3.51Å; Y727-M761 HydrophobicContact CG-CB 3.82Å; Y727-T764 WeakPolarHBondContact OH-CG2 3.35Å; Y727-T764 PolarHBondContact OH-OG1 2.93Å
728E93.1Very high89.9Confident122 Ų12240.2 Ų40.257%0.5723%0.228SC*.Hα-helixtrans-60.6-39.5177.2-73.9177.5-170.100112.1S724 V731 R732S724-E728 WeakPolarHBondContact O-CB 3.45Å; S724-E728 VanDerWaalsContact O-CG 3.27Å; S724-E728 WeakPolarHBondContact O-CG 3.27Å; S724-E728 PolarHBondContact O-N 2.93Å; E728-V731 PolarHBondContact O-N 3.34Å; E728-R732 WeakPolarHBondContact O-CG 3.36Å; E728-R732 PolarHBondContact O-N 3.25Å
729S93.7Very high90.2Very high20 Ų2041.3 Ų41.314%0.1423%0.232CC..Hα-helixtrans-64.3-44175.4-63.10000111.8A725 I726 Y727 R732 M733A725-S729 VanDerWaalsContact O-CB 3.29Å; A725-S729 WeakPolarHBondContact O-CB 3.49Å; A725-S729 PolarHBondContact O-N 2.67Å; A725-S729 PolarHBondContact O-OG 3.16Å; I726-S729 PolarHBondContact O-N 2.83Å; Y727-S729 VanDerWaalsContact C-N 3.29Å; Y727-S729 PolarHBondContact O-N 2.82Å; S729-R732 PolarHBondContact O-N 3.25Å; S729-M733 PolarHBondContact O-N 3.07Å
730M96.1Very high90.7Very high0 Ų041.1 Ų41.10%023%0.231CC..Hα-helixtrans-64.6-39.2175.3-174.7175.456.400112I689 M693 S707 I710 V711 I726 Y727 M733 A734 V744 A766I689-M730 HydrophobicContact CD1-CB 4.2Å; I689-M730 HydrophobicContact CG2-CB 4.32Å; I689-M730 HydrophobicContact CG2-CG 4.25Å; M693-M730 HydrophobicContact SD-SD 4.4Å; S707-M730 VanDerWaalsContact CB-CE 3.47Å; I710-M730 HydrophobicContact CB-SD 4.33Å; I710-M730 HydrophobicContact CD1-SD 4.23Å; I710-M730 HydrophobicContact CG2-SD 3.94Å; V711-M730 HydrophobicContact CG2-CE 3.91Å; I726-M730 PolarHBondContact O-N 2.66Å; Y727-M730 HydrophobicContact CD2-CE 3.64Å; Y727-M730 HydrophobicContact CE2-CE 3.97Å; Y727-M730 PolarHBondContact O-N 3.08Å; M730-M733 PolarHBondContact O-N 3.32Å; M730-A734 PolarHBondContact O-N 3.25Å; M730-V744 HydrophobicContact CG-CG1 4.19Å; M730-V744 HydrophobicContact CG-CG2 4.27Å; M730-A766 HydrophobicContact SD-CB 4.11Å
731V95.9Very high91.5Very high10 Ų1039 Ų396%0.06122%0.217CC..Hα-helixtrans-61-46.9177.4163.80000110.7Y727 E728 M733 A734 Q735 F750 A758Y727-V731 HydrophobicContact CD1-CG2 4.2Å; Y727-V731 HydrophobicContact CD2-CG2 4.18Å; Y727-V731 HydrophobicContact CE1-CG2 3.8Å; Y727-V731 HydrophobicContact CE2-CG2 3.74Å; Y727-V731 HydrophobicContact CG-CG2 4.38Å; Y727-V731 WeakPolarHBondContact O-CB 3.49Å; Y727-V731 VanDerWaalsContact O-CG2 3.27Å; Y727-V731 WeakPolarHBondContact O-CG2 3.41Å; Y727-V731 PolarHBondContact O-N 3.04Å; E728-V731 PolarHBondContact O-N 3.34Å; V731-M733 VanDerWaalsContact C-N 3.32Å; V731-M733 PolarHBondContact O-N 3.16Å; V731-A734 CarbonylContact O-C 3.43Å; V731-A734 WeakPolarHBondContact O-CA 3.46Å; V731-A734 PolarHBondContact O-N 3.13Å; V731-Q735 HydrophobicContact CG1-CG 4.43Å; V731-Q735 WeakPolarHBondContact O-CG 3.41Å; V731-Q735 PolarHBondContact O-N 3.23Å; V731-F750 HydrophobicContact CB-CD1 4.26Å; V731-F750 HydrophobicContact CG1-CD1 4.28Å; V731-F750 HydrophobicContact CG2-CD1 3.98Å; V731-F750 HydrophobicContact CG2-CE1 4.18Å; V731-A758 HydrophobicContact CB-CB 4.38Å; V731-A758 HydrophobicContact CG1-CB 3.64Å; V731-A758 HydrophobicContact CG2-CB 3.75Å
732R93.7Very high92.5Very high130 Ų13039.2 Ų39.249%0.49122%0.219SC..Hα-helixtrans-59.8-40.6177.5-72.9-176.8179.5-151.10.7112.7E728 S729 A734 Q735 Y739E728-R732 WeakPolarHBondContact O-CG 3.36Å; E728-R732 PolarHBondContact O-N 3.25Å; S729-R732 PolarHBondContact O-N 3.25Å; R732-A734 PolarHBondContact O-N 3.33Å; R732-Q735 PolarHBondContact O-N 3.41Å; R732-Q735 VanDerWaalsContact O-N 3.16Å; R732-Y739 HydrophobicContact CB-CE2 4.42Å; R732-Y739 WeakPolarHBondContact O-CD2 3.33Å
733M96.4Very high93.7Very high0 Ų037.2 Ų37.20%020%0.198CC..Hα-helixtrans-65.5-14.4176.2-70.6-172.3-69.200114H686 I689 L690 S729 M730 V731 Y739 L743 V744H686-M733 HydrophobicContact CB-SD 4.08Å; I689-M733 HydrophobicContact CB-CE 3.89Å; I689-M733 HydrophobicContact CD1-CE 3.8Å; I689-M733 HydrophobicContact CG1-CE 4.46Å; I689-M733 HydrophobicContact CG2-CE 3.58Å; L690-M733 HydrophobicContact CD2-SD 4.31Å; L690-M733 HydrophobicContact CG-SD 4.49Å; S729-M733 PolarHBondContact O-N 3.07Å; M730-M733 PolarHBondContact O-N 3.32Å; V731-M733 VanDerWaalsContact C-N 3.32Å; V731-M733 PolarHBondContact O-N 3.16Å; M733-Y739 HydrophobicContact CG-CE1 4.11Å; M733-Y739 HydrophobicContact CG-CE2 4.13Å; M733-L743 HydrophobicContact CB-CB 4.44Å; M733-L743 PolarHBondContact O-N 3.25Å; M733-L743 VanDerWaalsContact O-N 3.12Å; M733-L743 HydrophobicContact SD-CB 4.42Å; M733-L743 HydrophobicContact SD-CD1 4.41Å; M733-V744 HydrophobicContact CB-CB 4.13Å; M733-V744 HydrophobicContact CB-CG2 3.76Å; M733-V744 HydrophobicContact CE-CG2 4.19Å; M733-V744 PolarHBondContact O-N 3.31Å; M733-V744 VanDerWaalsContact O-N 3.11Å
734A96.5Very high94.2Very high11 Ų1133.6 Ų33.69%0.09118%0.178CC..THydrogen-bonded Turntrans-104.31.5177.300000114M730 V731 R732 M742 V744 F750M730-A734 PolarHBondContact O-N 3.25Å; V731-A734 CarbonylContact O-C 3.43Å; V731-A734 WeakPolarHBondContact O-CA 3.46Å; V731-A734 PolarHBondContact O-N 3.13Å; R732-A734 PolarHBondContact O-N 3.33Å; A734-M742 VanDerWaalsContact O-SD 3.34Å; A734-V744 WeakPolarHBondContact CA-O 3.3Å; A734-V744 HydrophobicContact CB-CB 4.02Å; A734-V744 HydrophobicContact CB-CG1 3.97Å; A734-F750 HydrophobicContact CB-CD1 3.54Å; A734-F750 HydrophobicContact CB-CE1 3.71Å; A734-F750 HydrophobicContact CB-CG 4.21Å
735Q94.7Very high94.7Very high28 Ų2832.8 Ų32.813%0.13117%0.169CC..  trans-96.2115.3180-76170.6-17.500110.9V731 R732 F737 S738 Y739 F750V731-Q735 HydrophobicContact CG1-CG 4.43Å; V731-Q735 WeakPolarHBondContact O-CG 3.41Å; V731-Q735 PolarHBondContact O-N 3.23Å; R732-Q735 PolarHBondContact O-N 3.41Å; R732-Q735 VanDerWaalsContact O-N 3.16Å; Q735-F737 HydrophobicContact CB-CD1 4.3Å; Q735-F737 HydrophobicContact CB-CE1 3.93Å; Q735-F737 HydrophobicContact CB-CE2 4.22Å; Q735-F737 HydrophobicContact CB-CZ 3.9Å; Q735-F737 VanDerWaalsContact CD-CZ 3.42Å; Q735-F737 HydrophobicContact CG-CE1 3.86Å; Q735-F737 HydrophobicContact CG-CE2 4.32Å; Q735-F737 HydrophobicContact CG-CZ 3.65Å; Q735-F737 PolarHBondContact O-N 3.33Å; Q735-S738 PolarHBondContact O-N 3.07Å; Q735-Y739 PolarHBondContact O-N 2.59Å; Q735-F750 WeakPolarHBondContact CG-O 3.47Å; Q735-F750 PolarHBondContact NE2-O 3.26Å
736S92.6Very high95.1Very high69 Ų6932.2 Ų32.248%0.48317%0.167SC..THydrogen-bonded Turntrans-65.5-22.5-179.257.60000114.3M742 P859S736-M742 PolarHBondContact N-SD 3.08Å; S736-M742 VanDerWaalsContact N-SD 3.41Å; S736-P859 VanDerWaalsContact O-CB 3.22Å; S736-P859 WeakPolarHBondContact O-CB 3.44Å
737F92.3Very high95.2Very high50 Ų5037.8 Ų37.822%0.21919%0.193CC..THydrogen-bonded Turntrans-86.9-9174.260.3-96.2000113.1Q735 V753 P859 T860Q735-F737 HydrophobicContact CB-CD1 4.3Å; Q735-F737 HydrophobicContact CB-CE1 3.93Å; Q735-F737 HydrophobicContact CB-CE2 4.22Å; Q735-F737 HydrophobicContact CB-CZ 3.9Å; Q735-F737 VanDerWaalsContact CD-CZ 3.42Å; Q735-F737 HydrophobicContact CG-CE1 3.86Å; Q735-F737 HydrophobicContact CG-CE2 4.32Å; Q735-F737 HydrophobicContact CG-CZ 3.65Å; Q735-F737 PolarHBondContact O-N 3.33Å; F737-V753 HydrophobicContact CB-CG2 3.74Å; F737-V753 HydrophobicContact CD1-CG2 3.87Å; F737-V753 HydrophobicContact CD2-CG2 4.23Å; F737-V753 HydrophobicContact CG-CG2 3.69Å; F737-P859 WeakPolarHBondContact O-CG 3.47Å; F737-T860 HydrophobicContact CB-CG2 4.12Å
738S92.7Very high95Very high18 Ų1839.5 Ų39.513%0.12622%0.217CC..THydrogen-bonded Turntrans-103.4-41177-174.80000112.4Q735 Y906Q735-S738 PolarHBondContact O-N 3.07Å; S738-Y906 PolarHBondContact O-OH 3.35Å
739Y94.4Very high95.1Very high25 Ų2537.8 Ų37.810%0.09821%0.212CC..  trans-108.8134.7-179.5-89.3-116.8000110R732 M733 Q735 N741 L743 N810R732-Y739 HydrophobicContact CB-CE2 4.42Å; R732-Y739 WeakPolarHBondContact O-CD2 3.33Å; M733-Y739 HydrophobicContact CG-CE1 4.11Å; M733-Y739 HydrophobicContact CG-CE2 4.13Å; Q735-Y739 PolarHBondContact O-N 2.59Å; Y739-N741 VanDerWaalsContact C-N 3.31Å; Y739-L743 HydrophobicContact CD1-CG 4.25Å; Y739-L743 HydrophobicContact CE1-CD1 4.03Å; Y739-L743 HydrophobicContact CE1-CG 4.2Å; Y739-N810 HydrophobicContact CD1-CB 3.79Å; Y739-N810 WeakPolarHBondContact CD1-OD1 3.44Å; Y739-N810 HydrophobicContact CE1-CB 3.98Å
740R96Very high95.1Very high6 Ų637.6 Ų37.62%0.02321%0.209CC..SBendtrans-64.9-39.6175-174.258.1-173.474.1-3111.5V809 N810 P825 N827 D857 D1121 E1122R740-V809 VanDerWaalsContact CB-O 3.31Å; R740-V809 WeakPolarHBondContact CB-O 3.06Å; R740-N810 PolarHBondContact N-OD1 2.71Å; R740-N810 VanDerWaalsContact N-OD1 3.12Å; R740-P825 HydrophobicContact CB-CB 3.84Å; R740-P825 HydrophobicContact CG-CB 4.45Å; R740-N827 PolarHBondContact NH2-ND2 3.28Å; R740-D857 WeakPolarHBondContact CD-O 3.41Å; R740-D857 IonicContact CZ-OD2 2.75Å; R740-D857 VanDerWaalsContact CZ-OD2 3.25Å; R740-D857 IonicContact NE-OD2 2.97Å; R740-D857 PolarHBondContact NE-OD2 3.4Å; R740-D857 IonicContact NH2-OD2 3.29Å; R740-D857 PolarHBondContact NH2-OD2 2.94Å; R740-D1121 IonicContact CZ-OD1 2.78Å; R740-D1121 IonicContact CZ-OD2 3.35Å; R740-D1121 IonicContact NH1-OD1 3.49Å; R740-D1121 PolarHBondContact NH1-OD1 3.01Å; R740-D1121 IonicContact NH1-OD2 3.04Å; R740-D1121 PolarHBondContact NH1-OD2 2.98Å; R740-D1121 IonicContact NH2-OD1 3.92Å; R740-D1121 PolarHBondContact NH2-OD1 2.8Å; R740-D1121 IonicContact NH2-OD2 2.86Å; R740-D1121 PolarHBondContact NH2-OD2 2.82Å; R740-E1122 PolarHBondContact NH2-O 2.82Å
741N95.3Very high94.9Very high16 Ų1638.5 Ų38.59%0.08622%0.218CC..SBendtrans-129.598173.6-69.455.3000108.5Y739 L743 I771 V809 N810Y739-N741 VanDerWaalsContact C-N 3.31Å; N741-L743 PolarHBondContact O-N 3.3Å; N741-I771 HydrophobicContact CB-CD1 4.05Å; N741-I771 HydrophobicContact CB-CG2 4.47Å; N741-I771 WeakPolarHBondContact ND2-CD1 3.47Å; N741-V809 HydrophobicContact CB-CG1 4.24Å; N741-N810 PolarHBondContact N-OD1 2.97Å; N741-N810 PolarHBondContact O-ND2 3.12Å; N741-N810 PolarHBondContact O-OD1 3.42Å
742M96.3Very high94.7Very high74 Ų7439.6 Ų39.637%0.36523%0.226SC..  trans-55.7129.6-178.1-64.4-175.8-62.600111.5A734 S736 S769A734-M742 VanDerWaalsContact O-SD 3.34Å; S736-M742 PolarHBondContact N-SD 3.08Å; S736-M742 VanDerWaalsContact N-SD 3.41Å; M742-S769 WeakPolarHBondContact O-CB 3.47Å; M742-S769 PolarHBondContact O-OG 3.42Å
743L97.5Very high94.5Very high0 Ų035.7 Ų35.70%022%0.216CC..SBendtrans-88.8-23.8178.4-58.2-177.4000111.9L682 L690 M733 Y739 N741 S769 I771 A772 F804L682-L743 HydrophobicContact CD2-CD1 4.19Å; L690-L743 HydrophobicContact CD1-CD1 4Å; L690-L743 HydrophobicContact CD2-CB 4.11Å; M733-L743 HydrophobicContact CB-CB 4.44Å; M733-L743 PolarHBondContact O-N 3.25Å; M733-L743 VanDerWaalsContact O-N 3.12Å; M733-L743 HydrophobicContact SD-CB 4.42Å; M733-L743 HydrophobicContact SD-CD1 4.41Å; Y739-L743 HydrophobicContact CD1-CG 4.25Å; Y739-L743 HydrophobicContact CE1-CD1 4.03Å; Y739-L743 HydrophobicContact CE1-CG 4.2Å; N741-L743 PolarHBondContact O-N 3.3Å; L743-S769 WeakPolarHBondContact CA-OG 3.2Å; L743-S769 WeakPolarHBondContact O-CB 3.4Å; L743-S769 PolarHBondContact O-N 3.06Å; L743-S769 PolarHBondContact O-OG 2.95Å; L743-I771 HydrophobicContact CD2-CG2 4.4Å; L743-A772 HydrophobicContact CB-CB 4.17Å; L743-A772 HydrophobicContact CD2-CB 4.34Å; L743-A772 WeakPolarHBondContact O-CB 3.24Å; L743-F804 HydrophobicContact CD2-CZ 4.04Å
744V97.6Very high94.1Very high0 Ų037.9 Ų37.90%023%0.228CC..EExtended strand (participates in β ladder)trans-114.4131.1176.9176.40000109.2L690 M693 M730 M733 A734 A766L690-V744 HydrophobicContact CD2-CG2 4.47Å; M693-V744 HydrophobicContact CE-CG1 4.34Å; M693-V744 HydrophobicContact SD-CG2 4.18Å; M730-V744 HydrophobicContact CG-CG1 4.19Å; M730-V744 HydrophobicContact CG-CG2 4.27Å; M733-V744 HydrophobicContact CB-CB 4.13Å; M733-V744 HydrophobicContact CB-CG2 3.76Å; M733-V744 HydrophobicContact CE-CG2 4.19Å; M733-V744 PolarHBondContact O-N 3.31Å; M733-V744 VanDerWaalsContact O-N 3.11Å; A734-V744 WeakPolarHBondContact CA-O 3.3Å; A734-V744 HydrophobicContact CB-CB 4.02Å; A734-V744 HydrophobicContact CB-CG1 3.97Å; V744-A766 HydrophobicContact CG1-CB 3.8Å
745D97.2Very high93.5Very high47 Ų4739.7 Ų39.725%0.25125%0.248SC..EExtended strand (participates in β ladder)trans-91.9106.4169.4173.24.5000108H704 A766 R767H704-D745 PolarHBondContact CD2-O 3.24Å; H704-D745 IonicContact CE1-OD1 2.82Å; H704-D745 IonicContact CE1-OD2 3.39Å; H704-D745 VanDerWaalsContact NE2-CG 3.28Å; H704-D745 PolarHBondContact NE2-O 3.08Å; H704-D745 IonicContact NE2-OD1 3.5Å; H704-D745 PolarHBondContact NE2-OD1 3.06Å; H704-D745 IonicContact NE2-OD2 2.8Å; H704-D745 PolarHBondContact NE2-OD2 3.35Å; D745-A766 CarbonylContact O-C 3.57Å; D745-A766 WeakPolarHBondContact O-CA 3.43Å; D745-R767 HydrophobicContact CB-CG 3.92Å; D745-R767 PolarHBondContact N-O 3.39Å; D745-R767 PolarHBondContact O-N 2.79Å; D745-R767 IonicContact OD2-CZ 2.94Å; D745-R767 VanDerWaalsContact OD2-CZ 3.25Å; D745-R767 IonicContact OD2-NE 2.63Å; D745-R767 PolarHBondContact OD2-NE 3.23Å; D745-R767 IonicContact OD2-NH2 2.98Å; D745-R767 PolarHBondContact OD2-NH2 3.37Å
746G95.3Very high93.2Very high27 Ų2743 Ų4328%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-97.6143.1-178.600000113F750 E765G746-F750 VanDerWaalsContact CA-CE2 3.42Å; G746-E765 CarbonylContact C-O 3.54Å; G746-E765 WeakPolarHBondContact CA-O 3.4Å
747H95.2Very high93Very high118 Ų11842.7 Ų42.755%0.54627%0.274SS..EExtended strand (participates in β ladder)trans-121.7122.8172.6-166.284.1000110.8E765H747-E765 HydrophobicContact CB-CB 4.24Å; H747-E765 PolarHBondContact N-O 3.44Å; H747-E765 PolarHBondContact O-N 3.36Å
748G93.2Very high93Very high59 Ų5941.8 Ų41.861%0.60828%0.276SS*.SBendtrans117.3-162.8-17400000112.6F750G748-F750 PolarHBondContact O-N 3.11Å
749N94.5Very high93.1Very high86 Ų8642.3 Ų42.346%0.4628%0.281SS..  trans-84.6104.3177.5-178.910.8000111G751 A759N749-G751 PolarHBondContact OD1-N 3.31Å; N749-A759 HydrophobicContact CB-CB 4.13Å; N749-A759 PolarHBondContact O-N 2.99Å
750F94.7Very high93.1Very high16 Ų1643 Ų437%0.0729%0.292CS..  trans-98.415.6175.3-83-98.4000113.2V731 A734 Q735 G746 G748 T764 E765 A766V731-F750 HydrophobicContact CB-CD1 4.26Å; V731-F750 HydrophobicContact CG1-CD1 4.28Å; V731-F750 HydrophobicContact CG2-CD1 3.98Å; V731-F750 HydrophobicContact CG2-CE1 4.18Å; A734-F750 HydrophobicContact CB-CD1 3.54Å; A734-F750 HydrophobicContact CB-CE1 3.71Å; A734-F750 HydrophobicContact CB-CG 4.21Å; Q735-F750 WeakPolarHBondContact CG-O 3.47Å; Q735-F750 PolarHBondContact NE2-O 3.26Å; G746-F750 VanDerWaalsContact CA-CE2 3.42Å; G748-F750 PolarHBondContact O-N 3.11Å; F750-T764 HydrophobicContact CD2-CG2 4.26Å; F750-T764 HydrophobicContact CE2-CG2 3.92Å; F750-T764 HydrophobicContact CZ-CG2 4.24Å; F750-E765 WeakPolarHBondContact CE2-O 3.36Å; F750-E765 WeakPolarHBondContact CZ-O 3.31Å; F750-A766 HydrophobicContact CZ-CB 4.4Å
751G91.9Very high93Very high18 Ų1845 Ų4519%0.18630%0.302CS..  trans90.1173.7-176.900000113.2N749 D756N749-G751 PolarHBondContact OD1-N 3.31Å; G751-D756 WeakPolarHBondContact CA-O 3.5Å
752S90.7Very high93Very high33 Ų3351.5 Ų51.523%0.23133%0.325CS..  trans-138.8169.3-172.8670000111.5D754 G755 D756S752-D754 PolarHBondContact O-N 3.37Å; S752-D754 WeakPolarHBondContact OG-CB 3.37Å; S752-D754 PolarHBondContact OG-N 3.3Å; S752-G755 PolarHBondContact O-N 2.98Å; S752-G755 VanDerWaalsContact O-N 3.13Å; S752-D756 PolarHBondContact N-O 3.44Å; S752-D756 WeakPolarHBondContact OG-CB 3.47Å; S752-D756 PolarHBondContact OG-OD2 2.86Å
753V90.2Very high92.9Very high48 Ų4854.7 Ų54.729%0.29133%0.334SS..THydrogen-bonded Turntrans-66.4-14.8173.7-173.80000111.9F737 G755 K910F737-V753 HydrophobicContact CB-CG2 3.74Å; F737-V753 HydrophobicContact CD1-CG2 3.87Å; F737-V753 HydrophobicContact CD2-CG2 4.23Å; F737-V753 HydrophobicContact CG-CG2 3.69Å; V753-G755 PolarHBondContact O-N 3.4Å; V753-K910 HydrophobicContact CG1-CB 4.24Å; V753-K910 PolarHBondContact O-N 2.88Å
754D87.6Confident92.9Very high46 Ų4654.7 Ų54.725%0.24633%0.334CS..THydrogen-bonded Turntrans-70.3-12.9172.9-64.3-59000113.2S752 N909 K910 A911S752-D754 PolarHBondContact O-N 3.37Å; S752-D754 WeakPolarHBondContact OG-CB 3.37Å; S752-D754 PolarHBondContact OG-N 3.3Å; D754-N909 VanDerWaalsContact C-ND2 3.32Å; D754-N909 PolarHBondContact O-ND2 3.28Å; D754-N909 PolarHBondContact O-OD1 3.02Å; D754-K910 VanDerWaalsContact CG-CE 3.47Å; D754-K910 WeakPolarHBondContact OD1-CE 3.23Å; D754-K910 IonicContact OD1-NZ 3.03Å; D754-K910 PolarHBondContact OD1-NZ 3Å; D754-K910 IonicContact OD2-NZ 2.61Å; D754-A911 HydrophobicContact CB-CB 4.36Å; D754-A911 WeakPolarHBondContact O-CB 3.39Å
755G84.4Confident92.9Very high49 Ų4957.5 Ų57.551%0.50535%0.347SS..  trans8414.8-174.800000114.2S752 V753 G757 N909S752-G755 PolarHBondContact O-N 2.98Å; S752-G755 VanDerWaalsContact O-N 3.13Å; V753-G755 PolarHBondContact O-N 3.4Å; G755-G757 PolarHBondContact O-N 3.37Å; G755-N909 WeakPolarHBondContact CA-ND2 3.3Å; G755-N909 PolarHBondContact N-ND2 3.07Å
756D87.4Confident92.9Very high99 Ų9955.2 Ų55.253%0.52934%0.335SS..PPolyproline II helixtrans-61.5127.2166.5-59.1-49.6000109G751 S752G751-D756 WeakPolarHBondContact CA-O 3.5Å; S752-D756 PolarHBondContact N-O 3.44Å; S752-D756 WeakPolarHBondContact OG-CB 3.47Å; S752-D756 PolarHBondContact OG-OD2 2.86Å
757G88.2Confident93Very high62 Ų6256.6 Ų56.664%0.63933%0.332SS*.PPolyproline II helixtrans-63.5154.9173.300000111.6G755G755-G757 PolarHBondContact O-N 3.37Å
758A92.5Very high93.1Very high31 Ų3151 Ų5126%0.25631%0.306SS..PPolyproline II helixtrans-62.4153.8171.300000111.4V731V731-A758 HydrophobicContact CB-CB 4.38Å; V731-A758 HydrophobicContact CG1-CB 3.64Å; V731-A758 HydrophobicContact CG2-CB 3.75Å
759A95Very high93.3Very high28 Ų2848.8 Ų48.823%0.23128%0.281CS..PPolyproline II helixtrans-59.9158.5169.400000110.4Y727 N749 T764Y727-A759 WeakPolarHBondContact CE1-O 3.5Å; Y727-A759 PolarHBondContact OH-O 3.26Å; N749-A759 HydrophobicContact CB-CB 4.13Å; N749-A759 PolarHBondContact O-N 2.99Å; A759-T764 HydrophobicContact CB-CG2 4.06Å
760A93.8Very high93.4Very high39 Ų3951.8 Ų51.832%0.32229%0.29SS..PPolyproline II helixtrans-61.1146.6176.500000111.8R762 Y763A760-R762 HydrophobicContact CB-CG 4.26Å; A760-R762 VanDerWaalsContact CB-NH1 3.28Å; A760-R762 PolarHBondContact O-N 2.8Å; A760-Y763 HydrophobicContact CB-CD2 4.25Å; A760-Y763 PolarHBondContact O-N 2.78Å
761M94.8Very high93.4Very high49 Ų4951.5 Ų51.524%0.24129%0.29CS..THydrogen-bonded Turntrans-54.8-16-175.463.6172.617300116.4S707 A708 V711 D723 Y727 Y763S707-M761 WeakPolarHBondContact CB-O 3.33Å; A708-M761 HydrophobicContact CB-CB 4.37Å; A708-M761 HydrophobicContact CB-CG 3.96Å; A708-M761 HydrophobicContact CB-SD 4.11Å; A708-M761 PolarHBondContact N-O 3.35Å; V711-M761 HydrophobicContact CB-SD 4Å; V711-M761 HydrophobicContact CG1-SD 3.91Å; V711-M761 HydrophobicContact CG2-SD 4.18Å; D723-M761 HydrophobicContact CB-CE 4.15Å; D723-M761 WeakPolarHBondContact OD2-CE 3.4Å; Y727-M761 HydrophobicContact CD1-CB 4.13Å; Y727-M761 HydrophobicContact CD2-CB 3.48Å; Y727-M761 VanDerWaalsContact CD2-CB 3.48Å; Y727-M761 HydrophobicContact CE1-CB 4.13Å; Y727-M761 HydrophobicContact CE2-CB 3.51Å; Y727-M761 HydrophobicContact CG-CB 3.82Å; M761-Y763 VanDerWaalsContact C-N 3.31Å
762R94.8Very high93.7Very high153 Ų15350.7 Ų50.758%0.57728%0.281SS*.THydrogen-bonded Turntrans-73.8-20.4174.167-179.8-179.6-86.91.2113.5K706 A760K706-R762 WeakPolarHBondContact CD-O 3.16Å; A760-R762 HydrophobicContact CB-CG 4.26Å; A760-R762 VanDerWaalsContact CB-NH1 3.28Å; A760-R762 PolarHBondContact O-N 2.8Å
763Y94.8Very high94Very high141 Ų14151.8 Ų51.855%0.55328%0.283SS*.THydrogen-bonded Turntrans-99.7-44.2-177.6-62-55.9000112.1K706 A760 M761K706-Y763 PolarHBondContact NZ-O 2.65Å; A760-Y763 HydrophobicContact CB-CD2 4.25Å; A760-Y763 PolarHBondContact O-N 2.78Å; M761-Y763 VanDerWaalsContact C-N 3.31Å
764T96.6Very high94.3Very high0 Ų050 Ų500%027%0.272CS..  trans-69.4150.7-179.657.50000112.1S707 Y727 F750 A759S707-T764 WeakPolarHBondContact CB-OG1 3.47Å; S707-T764 PolarHBondContact N-O 3.37Å; S707-T764 PolarHBondContact OG-O 3.18Å; S707-T764 PolarHBondContact OG-OG1 3.36Å; Y727-T764 WeakPolarHBondContact OH-CG2 3.35Å; Y727-T764 PolarHBondContact OH-OG1 2.93Å; F750-T764 HydrophobicContact CD2-CG2 4.26Å; F750-T764 HydrophobicContact CE2-CG2 3.92Å; F750-T764 HydrophobicContact CZ-CG2 4.24Å; A759-T764 HydrophobicContact CB-CG2 4.06Å
765E97.4Very high94.7Very high58 Ų5847.9 Ų47.927%0.27126%0.26SS..EExtended strand (participates in β ladder)trans-122.6149.5172.1-63.8170.7-170.300109H704 K705 K706 G746 H747 F750H704-E765 HydrophobicContact CB-CB 3.65Å; K705-E765 CarbonylContact O-C 3.58Å; K705-E765 WeakPolarHBondContact O-CA 3.31Å; K706-E765 HydrophobicContact CD-CG 3.71Å; K706-E765 WeakPolarHBondContact CE-OE1 3.48Å; K706-E765 HydrophobicContact CG-CG 4.34Å; K706-E765 IonicContact NZ-OE1 3.31Å; K706-E765 PolarHBondContact NZ-OE1 3.18Å; G746-E765 CarbonylContact C-O 3.54Å; G746-E765 WeakPolarHBondContact CA-O 3.4Å; H747-E765 HydrophobicContact CB-CB 4.24Å; H747-E765 PolarHBondContact N-O 3.44Å; H747-E765 PolarHBondContact O-N 3.36Å; F750-E765 WeakPolarHBondContact CE2-O 3.36Å; F750-E765 WeakPolarHBondContact CZ-O 3.31Å
766A97.2Very high95.3Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-145.4155.9-17700000111.2V698 K705 I710 M730 V744 D745 F750V698-A766 WeakPolarHBondContact CG1-O 3.45Å; K705-A766 PolarHBondContact N-O 3.09Å; K705-A766 PolarHBondContact O-N 3.16Å; I710-A766 HydrophobicContact CD1-CB 3.95Å; M730-A766 HydrophobicContact SD-CB 4.11Å; V744-A766 HydrophobicContact CG1-CB 3.8Å; D745-A766 CarbonylContact O-C 3.57Å; D745-A766 WeakPolarHBondContact O-CA 3.43Å; F750-A766 HydrophobicContact CZ-CB 4.4Å
767R97.5Very high95.7Very high55 Ų5546 Ų4621%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-150.3168167.565.4-174.7-177.9171.80.9110.5M693 V698 P700 K702 H704 D745M693-R767 VanDerWaalsContact CE-CA 3.45Å; V698-R767 HydrophobicContact CG1-CB 3.69Å; P700-R767 PolarHBondContact O-NH1 3.07Å; K702-R767 WeakPolarHBondContact O-CD 3.43Å; K702-R767 PolarHBondContact O-NH1 3.22Å; H704-R767 PolarHBondContact CE1-NE 3.21Å; H704-R767 VanDerWaalsContact CE1-NE 3.26Å; H704-R767 PolarHBondContact NE2-NE 2.95Å; D745-R767 HydrophobicContact CB-CG 3.92Å; D745-R767 PolarHBondContact N-O 3.39Å; D745-R767 PolarHBondContact O-N 2.79Å; D745-R767 IonicContact OD2-CZ 2.94Å; D745-R767 VanDerWaalsContact OD2-CZ 3.25Å; D745-R767 IonicContact OD2-NE 2.63Å; D745-R767 PolarHBondContact OD2-NE 3.23Å; D745-R767 IonicContact OD2-NH2 2.98Å; D745-R767 PolarHBondContact OD2-NH2 3.37Å
768L97.6Very high96Very high0 Ų044.3 Ų44.30%021%0.207CC..EExtended strand (participates in β ladder)trans-63.1142173.3-69.8170.7000109.7L690 M693 N694 V698 P700 A772 M773 L776L690-L768 HydrophobicContact CB-CD2 4.49Å; L690-L768 HydrophobicContact CD2-CD2 3.65Å; M693-L768 HydrophobicContact CB-CD1 4.29Å; M693-L768 HydrophobicContact CB-CD2 3.94Å; M693-L768 HydrophobicContact CB-CG 3.91Å; M693-L768 HydrophobicContact CE-CD2 4.3Å; M693-L768 HydrophobicContact CE-CG 4.24Å; M693-L768 HydrophobicContact SD-CD2 4.22Å; N694-L768 HydrophobicContact CB-CD1 4.25Å; V698-L768 WeakPolarHBondContact O-CG 3.37Å; V698-L768 PolarHBondContact O-N 2.95Å; P700-L768 VanDerWaalsContact CG-O 3.31Å; P700-L768 WeakPolarHBondContact CG-O 3Å; L768-A772 HydrophobicContact CB-CB 4.49Å; L768-A772 HydrophobicContact CD2-CB 4.18Å; L768-M773 HydrophobicContact CB-SD 4.45Å; L768-M773 HydrophobicContact CD1-SD 3.95Å; L768-L776 HydrophobicContact CD1-CD1 3.8Å; L768-L776 HydrophobicContact CD2-CD1 4.24Å
769S97.2Very high96.1Very high13 Ų1343.2 Ų43.29%0.09120%0.197CC..  trans-73.4163.8169.571.80000110.9P700 M742 L743 I771 A772 M773P700-S769 WeakPolarHBondContact CG-O 3.47Å; M742-S769 WeakPolarHBondContact O-CB 3.47Å; M742-S769 PolarHBondContact O-OG 3.42Å; L743-S769 WeakPolarHBondContact CA-OG 3.2Å; L743-S769 WeakPolarHBondContact O-CB 3.4Å; L743-S769 PolarHBondContact O-N 3.06Å; L743-S769 PolarHBondContact O-OG 2.95Å; S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 3.3Å; S769-I771 WeakPolarHBondContact OG-CG2 3.35Å; S769-A772 PolarHBondContact O-N 2.93Å; S769-A772 VanDerWaalsContact OG-CB 3.25Å; S769-A772 WeakPolarHBondContact OG-CB 3.3Å; S769-A772 PolarHBondContact OG-N 3.38Å; S769-M773 PolarHBondContact O-N 2.79Å
770K96.7Very high96.1Very high150 Ų15047.9 Ų47.965%0.65222%0.218SC*.THydrogen-bonded Turntrans-60.8-37.5176.8-68.4-178.1-178.6177.40112.8P700 F1119P700-K770 HydrophobicContact CB-CG 3.94Å; P700-K770 HydrophobicContact CG-CG 4.32Å; K770-F1119 HydrophobicContact CB-CE1 3.69Å; K770-F1119 HydrophobicContact CB-CZ 4.1Å
771I96.4Very high96.1Very high10 Ų1048.1 Ų48.15%0.05121%0.212CC..THydrogen-bonded Turntrans-76.5-30.6179.3-164.4176000112N741 L743 S769 M773 E774 F804 L828 F1119N741-I771 HydrophobicContact CB-CD1 4.05Å; N741-I771 HydrophobicContact CB-CG2 4.47Å; N741-I771 WeakPolarHBondContact ND2-CD1 3.47Å; L743-I771 HydrophobicContact CD2-CG2 4.4Å; S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 3.3Å; S769-I771 WeakPolarHBondContact OG-CG2 3.35Å; I771-M773 PolarHBondContact O-N 3.16Å; I771-E774 WeakPolarHBondContact O-CB 3.48Å; I771-E774 PolarHBondContact O-N 3.19Å; I771-F804 HydrophobicContact CD1-CD1 4.45Å; I771-F804 HydrophobicContact CD1-CE1 4.13Å; I771-F804 HydrophobicContact CD1-CE2 4.33Å; I771-F804 HydrophobicContact CD1-CZ 4.07Å; I771-F804 HydrophobicContact CG1-CD1 4.16Å; I771-F804 HydrophobicContact CG1-CE1 3.72Å; I771-F804 HydrophobicContact CG1-CZ 4.08Å; I771-L828 HydrophobicContact CD1-CD2 4.18Å; I771-F1119 HydrophobicContact CB-CD1 3.92Å; I771-F1119 HydrophobicContact CB-CE1 3.97Å; I771-F1119 HydrophobicContact CB-CG 4.18Å; I771-F1119 HydrophobicContact CB-CZ 4.26Å; I771-F1119 HydrophobicContact CD1-CB 3.94Å; I771-F1119 HydrophobicContact CD1-CG 4.14Å; I771-F1119 HydrophobicContact CG1-CB 4.37Å; I771-F1119 HydrophobicContact CG1-CD1 4.28Å; I771-F1119 HydrophobicContact CG1-CD2 4.12Å; I771-F1119 HydrophobicContact CG1-CE2 4.41Å; I771-F1119 HydrophobicContact CG1-CG 4.02Å
772A96.6Very high96Very high0 Ų050.2 Ų50.20%022%0.224CC..Hα-helixtrans-63.1-23.9175.400000113.1L743 L768 S769 E774 M775L743-A772 HydrophobicContact CB-CB 4.17Å; L743-A772 HydrophobicContact CD2-CB 4.34Å; L743-A772 WeakPolarHBondContact O-CB 3.24Å; L768-A772 HydrophobicContact CB-CB 4.49Å; L768-A772 HydrophobicContact CD2-CB 4.18Å; S769-A772 PolarHBondContact O-N 2.93Å; S769-A772 VanDerWaalsContact OG-CB 3.25Å; S769-A772 WeakPolarHBondContact OG-CB 3.3Å; S769-A772 PolarHBondContact OG-N 3.38Å; A772-E774 PolarHBondContact O-N 2.7Å; A772-M775 VanDerWaalsContact O-CB 3.32Å; A772-M775 WeakPolarHBondContact O-CB 3.43Å; A772-M775 PolarHBondContact O-N 3.32Å; A772-M775 VanDerWaalsContact O-N 3.07Å
773M96.7Very high96.1Very high56 Ų5643 Ų4328%0.27620%0.197SC..Hα-helixtrans-61.5-32.6170.9-67.8-56.9-55.900112.3T699 P700 L768 S769 I771 M775 L776 R777T699-M773 HydrophobicContact CG2-CE 4.15Å; T699-M773 HydrophobicContact CG2-SD 3.89Å; P700-M773 HydrophobicContact CG-CG 3.75Å; P700-M773 HydrophobicContact CG-SD 4.43Å; L768-M773 HydrophobicContact CB-SD 4.45Å; L768-M773 HydrophobicContact CD1-SD 3.95Å; S769-M773 PolarHBondContact O-N 2.79Å; I771-M773 PolarHBondContact O-N 3.16Å; M773-M775 PolarHBondContact O-N 3.01Å; M773-L776 PolarHBondContact O-N 3.48Å; M773-R777 WeakPolarHBondContact O-CB 3.48Å; M773-R777 PolarHBondContact O-N 2.56Å
774E96.7Very high96.1Very high12 Ų1236.4 Ų36.46%0.05617%0.171CC..Hα-helixtrans-72.6-19176.2-53.8-59.6159.900112I771 A772 R777 R803 F804 I1115 K1118 F1119I771-E774 WeakPolarHBondContact O-CB 3.48Å; I771-E774 PolarHBondContact O-N 3.19Å; A772-E774 PolarHBondContact O-N 2.7Å; E774-R777 IonicContact OE1-NH1 3.72Å; E774-R777 VanDerWaalsContact OE2-CD 3.28Å; E774-R777 WeakPolarHBondContact OE2-CD 3.25Å; E774-R777 IonicContact OE2-NH1 2.86Å; E774-R777 PolarHBondContact OE2-NH1 3Å; E774-R777 VanDerWaalsContact OE2-NH1 3.14Å; E774-R803 HydrophobicContact CB-CB 4.33Å; E774-R803 WeakPolarHBondContact O-CB 3.5Å; E774-R803 WeakPolarHBondContact O-CG 3.33Å; E774-R803 PolarHBondContact O-N 2.61Å; E774-R803 VanDerWaalsContact O-N 3.1Å; E774-F804 HydrophobicContact CB-CD1 4.26Å; E774-I1115 HydrophobicContact CB-CD1 4.13Å; E774-I1115 HydrophobicContact CG-CD1 4.17Å; E774-I1115 HydrophobicContact CG-CG1 4.19Å; E774-K1118 IonicContact OE1-NZ 3.71Å; E774-F1119 HydrophobicContact CG-CE2 3.86Å
775M97.3Very high96Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-69.5-35.8169.9-66.7-61.5-71.500112.4D680 L682 A772 M773 L800 P801 A802 F804 N806D680-M775 HydrophobicContact CB-CE 4.13Å; D680-M775 WeakPolarHBondContact O-CE 3.45Å; L682-M775 HydrophobicContact CD1-CE 3.97Å; L682-M775 HydrophobicContact CG-CE 4.29Å; A772-M775 VanDerWaalsContact O-CB 3.32Å; A772-M775 WeakPolarHBondContact O-CB 3.43Å; A772-M775 PolarHBondContact O-N 3.32Å; A772-M775 VanDerWaalsContact O-N 3.07Å; M773-M775 PolarHBondContact O-N 3.01Å; M775-L800 HydrophobicContact CB-CD1 4.19Å; M775-L800 WeakPolarHBondContact O-CB 3.26Å; M775-P801 WeakPolarHBondContact O-CD 3.43Å; M775-A802 HydrophobicContact CE-CB 3.65Å; M775-A802 PolarHBondContact O-N 3.46Å; M775-A802 HydrophobicContact SD-CB 4Å; M775-F804 HydrophobicContact CG-CD1 4.48Å; M775-F804 HydrophobicContact CG-CE1 3.56Å; M775-F804 HydrophobicContact CG-CZ 3.93Å; M775-F804 HydrophobicContact SD-CD1 3.9Å; M775-F804 HydrophobicContact SD-CE1 3.34Å; M775-F804 WeakPolarHBondContact SD-CE1 3.39Å; M775-F804 HydrophobicContact SD-CE2 4.3Å; M775-F804 HydrophobicContact SD-CZ 3.57Å; M775-F804 VanDerWaalsContact SD-CZ 3.57Å; M775-N806 HydrophobicContact CE-CB 3.69Å; M775-N806 HydrophobicContact SD-CB 3.7Å
776L96.8Very high95.8Very high4 Ų441.1 Ų41.12%0.02120%0.195CC..Hα-helixtrans-103.9-6.5-170.3-68.3154.7000113.4L690 N694 L768 M773 D778 I779 L800L690-L776 HydrophobicContact CB-CD1 4.22Å; L690-L776 HydrophobicContact CB-CD2 4.5Å; N694-L776 HydrophobicContact CB-CD1 3.94Å; N694-L776 HydrophobicContact CB-CD2 4.38Å; L768-L776 HydrophobicContact CD1-CD1 3.8Å; L768-L776 HydrophobicContact CD2-CD1 4.24Å; M773-L776 PolarHBondContact O-N 3.48Å; L776-D778 PolarHBondContact O-N 3.48Å; L776-I779 HydrophobicContact CD2-CD1 4.18Å; L776-I779 VanDerWaalsContact O-CB 3.24Å; L776-I779 WeakPolarHBondContact O-CB 3.41Å; L776-I779 WeakPolarHBondContact O-CG2 3.4Å; L776-I779 PolarHBondContact O-N 3.14Å; L776-L800 HydrophobicContact CD2-CD1 4.04Å; L776-L800 HydrophobicContact CD2-CD2 3.99Å; L776-L800 HydrophobicContact CG-CD1 4.42Å
777R95Very high95.4Very high104 Ų10445.4 Ų45.439%0.39222%0.215SC..THydrogen-bonded Turntrans-59.9135.8-174.8-174168.4176.4-170.8-3.1110.9M773 E774 I779 P801M773-R777 WeakPolarHBondContact O-CB 3.48Å; M773-R777 PolarHBondContact O-N 2.56Å; E774-R777 IonicContact OE1-NH1 3.72Å; E774-R777 VanDerWaalsContact OE2-CD 3.28Å; E774-R777 WeakPolarHBondContact OE2-CD 3.25Å; E774-R777 IonicContact OE2-NH1 2.86Å; E774-R777 PolarHBondContact OE2-NH1 3Å; E774-R777 VanDerWaalsContact OE2-NH1 3.14Å; R777-I779 PolarHBondContact O-N 3.27Å; R777-P801 WeakPolarHBondContact O-CB 3.46Å; R777-P801 WeakPolarHBondContact O-CG 3.42Å
778D94.8Very high94.7Very high27 Ų2743.9 Ų43.914%0.14422%0.216CC..THydrogen-bonded Turntrans64.610.6-177.4-59.3-44.6000115.8L776 N780 K781 T783 R803 R1005L776-D778 PolarHBondContact O-N 3.48Å; D778-N780 PolarHBondContact O-N 3Å; D778-K781 HydrophobicContact CB-CD 4.05Å; D778-K781 HydrophobicContact CB-CG 4.4Å; D778-K781 WeakPolarHBondContact O-CB 3.5Å; D778-K781 PolarHBondContact O-N 2.9Å; D778-K781 WeakPolarHBondContact OD1-CE 3.2Å; D778-K781 IonicContact OD1-NZ 2.69Å; D778-K781 PolarHBondContact OD1-NZ 3.46Å; D778-T783 HydrophobicContact CB-CG2 4.15Å; D778-T783 VanDerWaalsContact O-CG2 3.3Å; D778-T783 WeakPolarHBondContact O-CG2 3.4Å; D778-T783 PolarHBondContact O-OG1 2.85Å; D778-R803 IonicContact OD2-CZ 2.58Å; D778-R803 IonicContact OD2-NE 3.68Å; D778-R803 IonicContact OD2-NH2 3.13Å; D778-R803 PolarHBondContact OD2-NH2 3.08Å; D778-R1005 WeakPolarHBondContact OD2-CD 3.32Å; D778-R1005 IonicContact OD2-NH1 3.7Å; D778-R1005 PolarHBondContact OD2-NH1 3.29Å
779I95.3Very high94.1Very high8 Ų844.1 Ų44.14%0.04122%0.218CC..THydrogen-bonded Turntrans-57.5-25.9-180-162.8167.6000114.1Y691 L776 R777 K781 V784 F786 P797 L800 P801Y691-I779 HydrophobicContact CD2-CD1 3.96Å; Y691-I779 HydrophobicContact CE2-CD1 4.24Å; L776-I779 HydrophobicContact CD2-CD1 4.18Å; L776-I779 VanDerWaalsContact O-CB 3.24Å; L776-I779 WeakPolarHBondContact O-CB 3.41Å; L776-I779 WeakPolarHBondContact O-CG2 3.4Å; L776-I779 PolarHBondContact O-N 3.14Å; R777-I779 PolarHBondContact O-N 3.27Å; I779-K781 VanDerWaalsContact C-N 3.28Å; I779-K781 PolarHBondContact O-N 3.38Å; I779-V784 HydrophobicContact CG1-CG2 3.98Å; I779-F786 HydrophobicContact CG1-CE2 4.47Å; I779-F786 HydrophobicContact CG1-CZ 4.06Å; I779-P797 HydrophobicContact CD1-CB 4.11Å; I779-P797 HydrophobicContact CD1-CG 4.08Å; I779-L800 HydrophobicContact CD1-CD2 3.82Å; I779-P801 HydrophobicContact CB-CG 3.95Å; I779-P801 HydrophobicContact CG1-CG 4.23Å
780N93.5Very high92.8Very high127 Ų12746.5 Ų46.568%0.67923%0.225SC*.THydrogen-bonded Turntrans-82.72.9177.766.9-51.1000114.2D778D778-N780 PolarHBondContact O-N 3Å
781K94.8Very high91.7Very high44 Ų4443.1 Ų43.119%0.19121%0.214CC..SBendtrans-105.832.8-179.3-61.3-173.5174.6-173.10112.9D778 I779 T783 R1005 F1008 D1009D778-K781 HydrophobicContact CB-CD 4.05Å; D778-K781 HydrophobicContact CB-CG 4.4Å; D778-K781 WeakPolarHBondContact O-CB 3.5Å; D778-K781 PolarHBondContact O-N 2.9Å; D778-K781 WeakPolarHBondContact OD1-CE 3.2Å; D778-K781 IonicContact OD1-NZ 2.69Å; D778-K781 PolarHBondContact OD1-NZ 3.46Å; I779-K781 VanDerWaalsContact C-N 3.28Å; I779-K781 PolarHBondContact O-N 3.38Å; K781-T783 HydrophobicContact CB-CG2 4.16Å; K781-T783 PolarHBondContact O-N 3.26Å; K781-R1005 HydrophobicContact CD-CG 3.95Å; K781-F1008 HydrophobicContact CB-CB 4.39Å; K781-F1008 HydrophobicContact CB-CD1 3.59Å; K781-F1008 HydrophobicContact CB-CE1 3.96Å; K781-F1008 HydrophobicContact CB-CG 3.95Å; K781-F1008 HydrophobicContact CD-CD1 4.32Å; K781-F1008 HydrophobicContact CG-CD1 3.86Å; K781-F1008 HydrophobicContact CG-CE1 3.88Å; K781-F1008 VanDerWaalsContact O-CB 3.23Å; K781-F1008 WeakPolarHBondContact O-CB 3.03Å; K781-F1008 WeakPolarHBondContact O-CG 3.32Å; K781-D1009 WeakPolarHBondContact CD-OD1 3.45Å; K781-D1009 WeakPolarHBondContact CE-OD1 3.38Å; K781-D1009 IonicContact NZ-OD1 2.7Å; K781-D1009 PolarHBondContact NZ-OD1 2.92Å; K781-D1009 VanDerWaalsContact NZ-OD1 3.17Å; K781-D1009 IonicContact NZ-OD2 2.63Å; K781-D1009 PolarHBondContact NZ-OD2 3.49Å
782D93.6Very high90.7Very high92 Ų9248 Ų4849%0.49224%0.24SC..SBendtrans53.538.9-180-169.521.6000112.6R1004 F1008D782-R1004 WeakPolarHBondContact O-CB 3.22Å; D782-R1004 VanDerWaalsContact O-CZ 3.31Å; D782-R1004 PolarHBondContact O-NE 3.05Å; D782-R1004 PolarHBondContact O-NH2 2.88Å; D782-R1004 IonicContact OD1-CZ 3.22Å; D782-R1004 IonicContact OD1-NH2 3.15Å; D782-R1004 PolarHBondContact OD1-NH2 2.86Å; D782-F1008 HydrophobicContact CB-CD2 3.88Å
783T95.1Very high89.9Confident2 Ų251.6 Ų51.61%0.01227%0.266CS..  trans-84-19.5-175.851.20000113.8D778 K781 V1001 R1005D778-T783 HydrophobicContact CB-CG2 4.15Å; D778-T783 VanDerWaalsContact O-CG2 3.3Å; D778-T783 WeakPolarHBondContact O-CG2 3.4Å; D778-T783 PolarHBondContact O-OG1 2.85Å; K781-T783 HydrophobicContact CB-CG2 4.16Å; K781-T783 PolarHBondContact O-N 3.26Å; T783-V1001 HydrophobicContact CG2-CG1 4.3Å; T783-R1005 HydrophobicContact CG2-CB 3.82Å
784V95.9Very high89.5Confident3 Ų353.1 Ų53.12%0.01827%0.272CS..SBendtrans-140.2157.1-175.5-63.90000109.4I779 F786 P797 V799 P801 V1001 R1004I779-V784 HydrophobicContact CG1-CG2 3.98Å; V784-F786 HydrophobicContact CG2-CD2 4.41Å; V784-F786 HydrophobicContact CG2-CE2 3.88Å; V784-F786 WeakPolarHBondContact O-CD2 3.13Å; V784-P797 HydrophobicContact CG2-CB 4.18Å; V784-V799 HydrophobicContact CB-CG1 4.1Å; V784-V799 WeakPolarHBondContact CB-O 3.43Å; V784-V799 HydrophobicContact CG1-CG1 3.93Å; V784-V799 WeakPolarHBondContact CG1-O 3.29Å; V784-V799 WeakPolarHBondContact CG2-O 3.34Å; V784-P801 HydrophobicContact CG1-CG 4.15Å; V784-V1001 HydrophobicContact CG1-CG2 4.47Å; V784-R1004 PolarHBondContact O-NH2 2.69Å
785D94.3Very high89.2Confident84 Ų8457 Ų5745%0.44929%0.29SS..  trans-74.3139.8176.5-58.3-40.5000111.2V798 R1004D785-V798 HydrophobicContact CB-CG2 4.28Å; D785-V798 PolarHBondContact O-N 3.29Å; D785-R1004 IonicContact OD1-CZ 3.57Å; D785-R1004 IonicContact OD1-NH1 3.08Å; D785-R1004 PolarHBondContact OD1-NH1 3.35Å; D785-R1004 IonicContact OD1-NH2 3.76Å; D785-R1004 PolarHBondContact OD1-NH2 2.99Å; D785-R1004 IonicContact OD2-NH1 3.17Å
786F93.6Very high89Confident72 Ų7257.3 Ų57.332%0.31629%0.292SS..EExtended strand (participates in β ladder)trans-109.2147.3172.2-77.8-105.8000109.7Y691 I779 V784 Q795 E796 P797Y691-F786 HydrophobicContact CE2-CE1 4.16Å; Y691-F786 AromaticContact CZ-CE1 3.96Å; I779-F786 HydrophobicContact CG1-CE2 4.47Å; I779-F786 HydrophobicContact CG1-CZ 4.06Å; V784-F786 HydrophobicContact CG2-CD2 4.41Å; V784-F786 HydrophobicContact CG2-CE2 3.88Å; V784-F786 WeakPolarHBondContact O-CD2 3.13Å; F786-Q795 HydrophobicContact CB-CB 4.32Å; F786-Q795 HydrophobicContact CD1-CB 3.9Å; F786-E796 CarbonylContact C-O 3.49Å; F786-E796 VanDerWaalsContact CA-O 3.31Å; F786-E796 WeakPolarHBondContact CA-O 3.44Å; F786-P797 HydrophobicContact CD1-CB 4.5Å; F786-P797 HydrophobicContact CE1-CB 4.2Å; F786-P797 HydrophobicContact CZ-CB 4.27Å
787Q87.3Confident88.9Confident90 Ų9057.5 Ų57.542%0.42129%0.293SS..EExtended strand (participates in β ladder)trans-125.6158.3172.862.9177.836.300109.4Q795 E796 V798Q787-Q795 WeakPolarHBondContact O-CA 3.41Å; Q787-Q795 PolarHBondContact O-OE1 2.91Å; Q787-E796 HydrophobicContact CG-CG 3.77Å; Q787-E796 PolarHBondContact N-O 3.43Å; Q787-E796 PolarHBondContact NE2-OE1 3.17Å; Q787-E796 PolarHBondContact O-N 3.5Å; Q787-V798 HydrophobicContact CB-CG2 4.24Å; Q787-V798 HydrophobicContact CG-CG2 4.09Å
788G84.5Confident88.8Confident23 Ų2354.8 Ų54.824%0.23729%0.288CS..EExtended strand (participates in β ladder)trans-57.4141.3167.200000110.8D792G788-D792 WeakPolarHBondContact CA-OD1 3.27Å
789N83.7Confident88.8Confident6 Ų653.7 Ų53.73%0.03228%0.282CS..  trans-70.7-169.3172.372.4-25.7000110.9K717 Y718 D791 D792 S793 E794K717-N789 WeakPolarHBondContact O-CB 3.46Å; K717-N789 PolarHBondContact O-ND2 3.38Å; Y718-N789 HydrophobicContact CD1-CB 4.49Å; N789-D791 VanDerWaalsContact CG-OD1 3.25Å; N789-D791 PolarHBondContact ND2-OD1 3.11Å; N789-D791 PolarHBondContact O-N 3.29Å; N789-D791 PolarHBondContact OD1-OD1 3.47Å; N789-D792 PolarHBondContact O-N 3.02Å; N789-D792 VanDerWaalsContact OD1-CA 3.22Å; N789-D792 WeakPolarHBondContact OD1-CA 3.32Å; N789-D792 PolarHBondContact OD1-N 2.91Å; N789-S793 PolarHBondContact ND2-OG 3.44Å; N789-S793 PolarHBondContact OD1-N 3.05Å; N789-E794 HydrophobicContact CB-CB 4.44Å; N789-E794 PolarHBondContact N-O 3Å; N789-E794 PolarHBondContact OD1-N 3.48Å; N789-E794 VanDerWaalsContact OD1-N 3.16Å; N789-E794 PolarHBondContact OD1-O 3.36Å; N789-E794 VanDerWaalsContact OD1-O 3.12Å
790Y71.2Confident88.9Confident62 Ų6253.3 Ų53.324%0.24328%0.28CS..THydrogen-bonded Turntrans-68.8-14.9-174.772.1-92.7000114.5K585 G716 K717 P720K585-Y790 WeakPolarHBondContact CE-O 3.11Å; K585-Y790 PolarHBondContact NZ-O 2.95Å; G716-Y790 PolarHBondContact O-OH 3.21Å; K717-Y790 WeakPolarHBondContact O-CE1 3.31Å; P720-Y790 HydrophobicContact CB-CD1 3.97Å; P720-Y790 HydrophobicContact CB-CD2 4.02Å; P720-Y790 HydrophobicContact CB-CE1 3.9Å; P720-Y790 HydrophobicContact CB-CE2 4.02Å; P720-Y790 HydrophobicContact CB-CG 4.02Å; P720-Y790 VanDerWaalsContact CD-CD1 3.48Å; P720-Y790 HydrophobicContact CG-CD1 3.63Å; P720-Y790 HydrophobicContact CG-CD2 3.91Å; P720-Y790 HydrophobicContact CG-CE1 4.09Å; P720-Y790 HydrophobicContact CG-CE2 4.4Å; P720-Y790 HydrophobicContact CG-CG 3.52Å
791D72.5Confident89.1Confident79 Ų7947.2 Ų47.242%0.42225%0.248SC..THydrogen-bonded Turntrans-123.913.4177.462.19000112.8N789 S793N789-D791 VanDerWaalsContact CG-OD1 3.25Å; N789-D791 PolarHBondContact ND2-OD1 3.11Å; N789-D791 PolarHBondContact O-N 3.29Å; N789-D791 PolarHBondContact OD1-OD1 3.47Å; D791-S793 PolarHBondContact O-N 2.8Å; D791-S793 VanDerWaalsContact OD1-CB 3.25Å; D791-S793 WeakPolarHBondContact OD1-CB 3.48Å; D791-S793 PolarHBondContact OD1-N 3.37Å; D791-S793 VanDerWaalsContact OD1-N 3.15Å; D791-S793 PolarHBondContact OD1-OG 2.84Å; D791-S793 PolarHBondContact OD2-OG 2.98Å
792D75.6Confident89.2Confident113 Ų11345.1 Ų45.160%0.60424%0.239SC*.SBendtrans5120.2-175.5-67.2-47.8000114.8G788 N789G788-D792 WeakPolarHBondContact CA-OD1 3.27Å; N789-D792 PolarHBondContact O-N 3.02Å; N789-D792 VanDerWaalsContact OD1-CA 3.22Å; N789-D792 WeakPolarHBondContact OD1-CA 3.32Å; N789-D792 PolarHBondContact OD1-N 2.91Å
793S80.4Confident89.3Confident76 Ų7641 Ų4153%0.53122%0.216SC..SBendtrans-83.7-25.8176.969.60000113.3N789 D791N789-S793 PolarHBondContact ND2-OG 3.44Å; N789-S793 PolarHBondContact OD1-N 3.05Å; D791-S793 PolarHBondContact O-N 2.8Å; D791-S793 VanDerWaalsContact OD1-CB 3.25Å; D791-S793 WeakPolarHBondContact OD1-CB 3.48Å; D791-S793 PolarHBondContact OD1-N 3.37Å; D791-S793 VanDerWaalsContact OD1-N 3.15Å; D791-S793 PolarHBondContact OD1-OG 2.84Å; D791-S793 PolarHBondContact OD2-OG 2.98Å
794E87.9Confident89.4Confident87 Ų8741 Ų4141%0.40722%0.216SC..SBendtrans-134.1164.8-177.5-64.2-71.3-177.500110.4Y718 N789Y718-E794 HydrophobicContact CE1-CB 4.32Å; N789-E794 HydrophobicContact CB-CB 4.44Å; N789-E794 PolarHBondContact N-O 3Å; N789-E794 PolarHBondContact OD1-N 3.48Å; N789-E794 VanDerWaalsContact OD1-N 3.16Å; N789-E794 PolarHBondContact OD1-O 3.36Å; N789-E794 VanDerWaalsContact OD1-O 3.12Å
795Q90.8Very high89.4Confident95 Ų9541 Ų4144%0.44422%0.216SC..EExtended strand (participates in β ladder)trans-103.6140.7172.9-63.5-66.2-54.200110.5F786 Q787F786-Q795 HydrophobicContact CB-CB 4.32Å; F786-Q795 HydrophobicContact CD1-CB 3.9Å; Q787-Q795 WeakPolarHBondContact O-CA 3.41Å; Q787-Q795 PolarHBondContact O-OE1 2.91Å
796E91.8Very high89.6Confident6 Ų637.1 Ų37.13%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-126.4145.617467.2171.6173.700112.1R688 Y718 F786 Q787R688-E796 IonicContact CZ-OE1 2.78Å; R688-E796 IonicContact CZ-OE2 3.74Å; R688-E796 IonicContact NE-OE1 3.25Å; R688-E796 IonicContact NE-OE2 2.86Å; R688-E796 PolarHBondContact NE-OE2 3.41Å; R688-E796 IonicContact NH2-OE1 3.23Å; R688-E796 PolarHBondContact NH2-OE1 2.94Å; R688-E796 IonicContact NH2-OE2 2.78Å; R688-E796 PolarHBondContact NH2-OE2 2.96Å; Y718-E796 HydrophobicContact CD1-CB 3.9Å; Y718-E796 HydrophobicContact CE1-CB 4.26Å; F786-E796 CarbonylContact C-O 3.49Å; F786-E796 VanDerWaalsContact CA-O 3.31Å; F786-E796 WeakPolarHBondContact CA-O 3.44Å; Q787-E796 HydrophobicContact CG-CG 3.77Å; Q787-E796 PolarHBondContact N-O 3.43Å; Q787-E796 PolarHBondContact NE2-OE1 3.17Å; Q787-E796 PolarHBondContact O-N 3.5Å
797P94.7Very high89.8Confident8 Ų833.9 Ų33.95%0.05218%0.181CC..EExtended strand (participates in β ladder)trans-75.1136.1179.130.3-35.2000111.5R687 Y691 I779 V784 F786 V799 L800R687-P797 VanDerWaalsContact CD-O 3.28Å; R687-P797 WeakPolarHBondContact CD-O 3.43Å; R687-P797 HydrophobicContact CG-CG 4.49Å; Y691-P797 HydrophobicContact CD1-CG 4.26Å; Y691-P797 HydrophobicContact CD2-CG 3.88Å; Y691-P797 HydrophobicContact CE2-CG 4.32Å; Y691-P797 HydrophobicContact CG-CG 3.85Å; I779-P797 HydrophobicContact CD1-CB 4.11Å; I779-P797 HydrophobicContact CD1-CG 4.08Å; V784-P797 HydrophobicContact CG2-CB 4.18Å; F786-P797 HydrophobicContact CD1-CB 4.5Å; F786-P797 HydrophobicContact CE1-CB 4.2Å; F786-P797 HydrophobicContact CZ-CB 4.27Å; P797-V799 VanDerWaalsContact C-N 3.34Å; P797-L800 HydrophobicContact CB-CD2 4.39Å; P797-L800 HydrophobicContact CG-CD2 3.94Å
798V92.5Very high90.3Very high47 Ų4729.7 Ų29.729%0.28516%0.162SC..SBendtrans-67.5-38.7173.6178.50000110.7R687 D785 Q787R687-V798 WeakPolarHBondContact CD-O 3.41Å; R687-V798 PolarHBondContact NE-O 3.42Å; R687-V798 PolarHBondContact NH1-O 2.91Å; D785-V798 HydrophobicContact CB-CG2 4.28Å; D785-V798 PolarHBondContact O-N 3.29Å; Q787-V798 HydrophobicContact CB-CG2 4.24Å; Q787-V798 HydrophobicContact CG-CG2 4.09Å
799V95.5Very high90.9Very high3 Ų328.6 Ų28.62%0.01815%0.15CC..SBendtrans-143.5155.7-179.766.90000109.3R679 D680 V784 P797R679-V799 HydrophobicContact CB-CG2 3.83Å; D680-V799 HydrophobicContact CB-CG2 3.83Å; V784-V799 HydrophobicContact CB-CG1 4.1Å; V784-V799 WeakPolarHBondContact CB-O 3.43Å; V784-V799 HydrophobicContact CG1-CG1 3.93Å; V784-V799 WeakPolarHBondContact CG1-O 3.29Å; V784-V799 WeakPolarHBondContact CG2-O 3.34Å; P797-V799 VanDerWaalsContact C-N 3.34Å
800L97.6Very high91.5Very high0 Ų028.5 Ų28.50%015%0.15CC..  trans-90.4155.5172.5-57.3-171.4000112.6D680 L682 R687 L690 M775 L776 I779 P797 A802 H997D680-L800 HydrophobicContact CB-CB 4.28Å; D680-L800 PolarHBondContact OD2-N 3.12Å; L682-L800 HydrophobicContact CD1-CD1 3.55Å; L682-L800 HydrophobicContact CD1-CG 4.22Å; R687-L800 HydrophobicContact CG-CD1 4.43Å; R687-L800 HydrophobicContact CG-CD2 3.71Å; R687-L800 HydrophobicContact CG-CG 3.85Å; L690-L800 HydrophobicContact CB-CD1 4.38Å; L690-L800 HydrophobicContact CD1-CD1 4.11Å; M775-L800 HydrophobicContact CB-CD1 4.19Å; M775-L800 WeakPolarHBondContact O-CB 3.26Å; L776-L800 HydrophobicContact CD2-CD1 4.04Å; L776-L800 HydrophobicContact CD2-CD2 3.99Å; L776-L800 HydrophobicContact CG-CD1 4.42Å; I779-L800 HydrophobicContact CD1-CD2 3.82Å; P797-L800 HydrophobicContact CB-CD2 4.39Å; P797-L800 HydrophobicContact CG-CD2 3.94Å; L800-A802 PolarHBondContact O-N 2.84Å; L800-H997 PolarHBondContact O-NE2 3.46Å
801P97.5Very high92.7Very high0 Ų026 Ų260%014%0.144CC..  trans-53.2-37.4172.7-28.835.8000114M775 R777 I779 V784 H997 Q998 V1001M775-P801 WeakPolarHBondContact O-CD 3.43Å; R777-P801 WeakPolarHBondContact O-CB 3.46Å; R777-P801 WeakPolarHBondContact O-CG 3.42Å; I779-P801 HydrophobicContact CB-CG 3.95Å; I779-P801 HydrophobicContact CG1-CG 4.23Å; V784-P801 HydrophobicContact CG1-CG 4.15Å; P801-H997 PolarHBondContact O-NE2 3.47Å; P801-Q998 PolarHBondContact O-NE2 2.81Å; P801-V1001 HydrophobicContact CB-CG1 4.15Å
802A97.3Very high93.6Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans51.364.5169.500000114.6D680 M775 L800 F804 Y994 Q998D680-A802 HydrophobicContact CB-CB 3.75Å; M775-A802 HydrophobicContact CE-CB 3.65Å; M775-A802 PolarHBondContact O-N 3.46Å; M775-A802 HydrophobicContact SD-CB 4Å; L800-A802 PolarHBondContact O-N 2.84Å; A802-F804 PolarHBondContact O-N 3.47Å; A802-Y994 WeakPolarHBondContact O-CE2 3.48Å; A802-Y994 PolarHBondContact O-OH 3.46Å; A802-Q998 PolarHBondContact O-NE2 3.02Å
803R95.9Very high94.4Very high6 Ų619.5 Ų19.52%0.02311%0.112CC..SBendtrans-66.61.8-178.4-66.2179160.3-118.4-15.8115.9E774 D778 Y994 E1111 L1112 I1115E774-R803 HydrophobicContact CB-CB 4.33Å; E774-R803 WeakPolarHBondContact O-CB 3.5Å; E774-R803 WeakPolarHBondContact O-CG 3.33Å; E774-R803 PolarHBondContact O-N 2.61Å; E774-R803 VanDerWaalsContact O-N 3.1Å; D778-R803 IonicContact OD2-CZ 2.58Å; D778-R803 IonicContact OD2-NE 3.68Å; D778-R803 IonicContact OD2-NH2 3.13Å; D778-R803 PolarHBondContact OD2-NH2 3.08Å; R803-Y994 PolarHBondContact O-OH 2.77Å; R803-E1111 VanDerWaalsContact CZ-CD 3.43Å; R803-E1111 IonicContact CZ-OE1 2.98Å; R803-E1111 VanDerWaalsContact CZ-OE1 3.26Å; R803-E1111 IonicContact CZ-OE2 2.87Å; R803-E1111 IonicContact NE-OE2 2.65Å; R803-E1111 IonicContact NH1-OE1 2.7Å; R803-E1111 PolarHBondContact NH1-OE1 2.69Å; R803-E1111 IonicContact NH1-OE2 3.61Å; R803-E1111 PolarHBondContact NH1-OE2 3.4Å; R803-E1111 IonicContact NH2-OE1 2.84Å; R803-E1111 PolarHBondContact NH2-OE1 2.93Å; R803-E1111 IonicContact NH2-OE2 3.14Å; R803-E1111 PolarHBondContact NH2-OE2 2.91Å; R803-L1112 VanDerWaalsContact O-CD2 3.31Å; R803-L1112 WeakPolarHBondContact O-CD2 3.35Å; R803-I1115 HydrophobicContact CB-CD1 3.63Å; R803-I1115 VanDerWaalsContact O-CD1 3.23Å; R803-I1115 WeakPolarHBondContact O-CD1 3.47Å
804F96.7Very high94.5Very high0 Ų016.4 Ų16.40%09%0.092CC..SBendtrans-135.8154.4165.973.1-88.5000109.9L743 I771 E774 M775 A802 N806 V809 L828 Y994 I1115L743-F804 HydrophobicContact CD2-CZ 4.04Å; I771-F804 HydrophobicContact CD1-CD1 4.45Å; I771-F804 HydrophobicContact CD1-CE1 4.13Å; I771-F804 HydrophobicContact CD1-CE2 4.33Å; I771-F804 HydrophobicContact CD1-CZ 4.07Å; I771-F804 HydrophobicContact CG1-CD1 4.16Å; I771-F804 HydrophobicContact CG1-CE1 3.72Å; I771-F804 HydrophobicContact CG1-CZ 4.08Å; E774-F804 HydrophobicContact CB-CD1 4.26Å; M775-F804 HydrophobicContact CG-CD1 4.48Å; M775-F804 HydrophobicContact CG-CE1 3.56Å; M775-F804 HydrophobicContact CG-CZ 3.93Å; M775-F804 HydrophobicContact SD-CD1 3.9Å; M775-F804 HydrophobicContact SD-CE1 3.34Å; M775-F804 WeakPolarHBondContact SD-CE1 3.39Å; M775-F804 HydrophobicContact SD-CE2 4.3Å; M775-F804 HydrophobicContact SD-CZ 3.57Å; M775-F804 VanDerWaalsContact SD-CZ 3.57Å; A802-F804 PolarHBondContact O-N 3.47Å; F804-N806 HydrophobicContact CD2-CB 4.1Å; F804-N806 HydrophobicContact CE2-CB 3.55Å; F804-N806 HydrophobicContact CZ-CB 3.98Å; F804-N806 PolarHBondContact O-N 3.07Å; F804-V809 HydrophobicContact CD2-CB 4.39Å; F804-V809 HydrophobicContact CD2-CG2 4.23Å; F804-V809 HydrophobicContact CE2-CB 4.37Å; F804-V809 HydrophobicContact CE2-CG1 4.32Å; F804-L828 HydrophobicContact CB-CD1 4.1Å; F804-L828 HydrophobicContact CD2-CD1 4.27Å; F804-Y994 VanDerWaalsContact C-OH 3.27Å; F804-Y994 WeakPolarHBondContact CA-OH 3.36Å; F804-Y994 PolarHBondContact N-OH 3.19Å; F804-Y994 VanDerWaalsContact N-OH 3.07Å; F804-I1115 HydrophobicContact CB-CG2 4.11Å
805P96.8Very high94Very high5 Ų519 Ų193%0.03211%0.107CC..  trans-75.668.5-173.830.8-38000112.7L807 L808 V809 V831 I835 Y994P805-L807 VanDerWaalsContact C-N 3.26Å; P805-L807 PolarHBondContact O-N 3.46Å; P805-L807 VanDerWaalsContact O-N 3.15Å; P805-L808 PolarHBondContact O-N 3.07Å; P805-L808 VanDerWaalsContact O-N 3.15Å; P805-V809 HydrophobicContact CG-CG2 4.21Å; P805-V809 WeakPolarHBondContact O-CG2 3.25Å; P805-V809 PolarHBondContact O-N 3.3Å; P805-V809 VanDerWaalsContact O-N 3.12Å; P805-V831 HydrophobicContact CB-CG1 3.87Å; P805-V831 HydrophobicContact CG-CB 4.09Å; P805-V831 HydrophobicContact CG-CG1 3.3Å; P805-I835 HydrophobicContact CB-CD1 4.06Å; P805-I835 HydrophobicContact CG-CD1 3.7Å; P805-Y994 HydrophobicContact CB-CD1 4.04Å; P805-Y994 HydrophobicContact CB-CD2 4Å; P805-Y994 HydrophobicContact CB-CE1 4.1Å; P805-Y994 HydrophobicContact CB-CE2 4.07Å; P805-Y994 HydrophobicContact CB-CG 4Å; P805-Y994 HydrophobicContact CG-CE1 4.48Å
806N97.9Very high93Very high2 Ų215 Ų151%0.0119%0.09CC..Hα-helixtrans-57.8-31.3-171.3175.368.3000114.4D680 L682 M775 F804 L808 V809 N810D680-N806 WeakPolarHBondContact O-CB 3.03Å; D680-N806 PolarHBondContact O-ND2 3.17Å; L682-N806 WeakPolarHBondContact CD2-ND2 3.26Å; M775-N806 HydrophobicContact CE-CB 3.69Å; M775-N806 HydrophobicContact SD-CB 3.7Å; F804-N806 HydrophobicContact CD2-CB 4.1Å; F804-N806 HydrophobicContact CE2-CB 3.55Å; F804-N806 HydrophobicContact CZ-CB 3.98Å; F804-N806 PolarHBondContact O-N 3.07Å; N806-L808 VanDerWaalsContact C-N 3.31Å; N806-L808 PolarHBondContact O-N 2.93Å; N806-V809 PolarHBondContact O-N 2.8Å; N806-N810 PolarHBondContact O-N 3.15Å; N806-N810 PolarHBondContact OD1-ND2 3.15Å
807L97.5Very high91.7Very high4 Ų415.8 Ų15.82%0.02110%0.095CC..Hα-helixtrans-56.2-44.8177.2-176.768.3000112.2P676 V678 P805 G811 A812 I823 A976 I990P676-L807 HydrophobicContact CB-CD1 3.84Å; P676-L807 HydrophobicContact CG-CD1 3.57Å; V678-L807 HydrophobicContact CG2-CD2 4.22Å; P805-L807 VanDerWaalsContact C-N 3.26Å; P805-L807 PolarHBondContact O-N 3.46Å; P805-L807 VanDerWaalsContact O-N 3.15Å; L807-G811 WeakPolarHBondContact O-CA 3.36Å; L807-G811 PolarHBondContact O-N 3.37Å; L807-G811 VanDerWaalsContact O-N 3.11Å; L807-A812 HydrophobicContact CD1-CB 4.13Å; L807-I823 HydrophobicContact CD1-CD1 3.7Å; L807-I823 HydrophobicContact CD2-CD1 4.19Å; L807-I823 HydrophobicContact CG-CD1 4.05Å; L807-A976 HydrophobicContact CD2-CB 4.29Å; L807-I990 HydrophobicContact CD2-CD1 4.37Å; L807-I990 HydrophobicContact CD2-CG1 4.43Å; L807-I990 HydrophobicContact CD2-CG2 3.88Å
808L97.6Very high90.3Very high1 Ų116.7 Ų16.71%0.00511%0.106CC..Hα-helixtrans-82.4-40.7179.3-68.8176.7000111.5P805 N806 I823 P825 H826 V831 L987 I990 L991P805-L808 PolarHBondContact O-N 3.07Å; P805-L808 VanDerWaalsContact O-N 3.15Å; N806-L808 VanDerWaalsContact C-N 3.31Å; N806-L808 PolarHBondContact O-N 2.93Å; L808-I823 HydrophobicContact CD2-CG2 4.4Å; L808-P825 CarbonylContact O-C 3.56Å; L808-P825 WeakPolarHBondContact O-CA 3.35Å; L808-H826 WeakPolarHBondContact O-CB 3.45Å; L808-H826 PolarHBondContact O-N 3.46Å; L808-H826 PolarHBondContact O-ND1 3.13Å; L808-V831 HydrophobicContact CB-CG1 4.21Å; L808-V831 HydrophobicContact CB-CG2 4.13Å; L808-V831 HydrophobicContact CD1-CG1 3.91Å; L808-L987 HydrophobicContact CD1-CD1 3.8Å; L808-L987 HydrophobicContact CD2-CD1 4.21Å; L808-I990 HydrophobicContact CD1-CG2 3.84Å; L808-I990 HydrophobicContact CD2-CD1 4.1Å; L808-I990 HydrophobicContact CD2-CG2 4.05Å; L808-I990 HydrophobicContact CG-CG2 3.75Å; L808-L991 HydrophobicContact CD1-CD2 3.53Å; L808-L991 HydrophobicContact CD1-CG 4.26Å
809V97.6Very high89.6Confident0 Ų016.8 Ų16.80%010%0.104CC..Hα-helixtrans-62.6-50.5-176.5172.70000111.5R740 N741 F804 P805 N806 P825 H826 L828 V831R740-V809 VanDerWaalsContact CB-O 3.31Å; R740-V809 WeakPolarHBondContact CB-O 3.06Å; N741-V809 HydrophobicContact CB-CG1 4.24Å; F804-V809 HydrophobicContact CD2-CB 4.39Å; F804-V809 HydrophobicContact CD2-CG2 4.23Å; F804-V809 HydrophobicContact CE2-CB 4.37Å; F804-V809 HydrophobicContact CE2-CG1 4.32Å; P805-V809 HydrophobicContact CG-CG2 4.21Å; P805-V809 WeakPolarHBondContact O-CG2 3.25Å; P805-V809 PolarHBondContact O-N 3.3Å; P805-V809 VanDerWaalsContact O-N 3.12Å; N806-V809 PolarHBondContact O-N 2.8Å; V809-P825 WeakPolarHBondContact O-CA 3.33Å; V809-P825 VanDerWaalsContact O-CB 3.25Å; V809-P825 WeakPolarHBondContact O-CB 3.45Å; V809-H826 PolarHBondContact O-N 3.32Å; V809-L828 HydrophobicContact CG1-CB 4.47Å; V809-L828 HydrophobicContact CG2-CB 4.44Å; V809-L828 HydrophobicContact CG2-CD1 3.86Å; V809-V831 HydrophobicContact CG2-CG2 4.44Å
810N97.2Very high89Confident5 Ų518 Ų183%0.02712%0.115CC..Hα-helixtrans-96-16.4-178.4-81.3-45.7000113.7Y739 R740 N741 N806Y739-N810 HydrophobicContact CD1-CB 3.79Å; Y739-N810 WeakPolarHBondContact CD1-OD1 3.44Å; Y739-N810 HydrophobicContact CE1-CB 3.98Å; R740-N810 PolarHBondContact N-OD1 2.71Å; R740-N810 VanDerWaalsContact N-OD1 3.12Å; N741-N810 PolarHBondContact N-OD1 2.97Å; N741-N810 PolarHBondContact O-ND2 3.12Å; N741-N810 PolarHBondContact O-OD1 3.42Å; N806-N810 PolarHBondContact O-N 3.15Å; N806-N810 PolarHBondContact OD1-ND2 3.15Å
811G94.5Very high88.8Confident10 Ų1018.2 Ų18.210%0.10312%0.116CC..  trans71.1178.9-173.800000112.7L807 I823L807-G811 WeakPolarHBondContact O-CA 3.36Å; L807-G811 PolarHBondContact O-N 3.37Å; L807-G811 VanDerWaalsContact O-N 3.11Å; G811-I823 CarbonylContact C-O 3.46Å; G811-I823 WeakPolarHBondContact CA-O 3.07Å
812A93.3Very high88.6Confident13 Ų1320.1 Ų20.111%0.10713%0.126CC..EExtended strand (participates in β ladder)trans-153.4135.5176.300000111P676 L807 N822 I823P676-A812 HydrophobicContact CB-CB 4.16Å; P676-A812 HydrophobicContact CG-CB 3.68Å; L807-A812 HydrophobicContact CD1-CB 4.13Å; A812-N822 WeakPolarHBondContact O-CA 3.47Å; A812-I823 PolarHBondContact N-O 2.89Å; A812-I823 PolarHBondContact O-N 3.12Å
813T90.8Very high88.6Confident42 Ų4220.2 Ų20.226%0.25813%0.126SC..EExtended strand (participates in β ladder)trans-124.1132.3173.863.10000110K683 T821 N822 M907K683-T813 WeakPolarHBondContact CE-O 3.32Å; K683-T813 PolarHBondContact NZ-O 3.11Å; T813-T821 WeakPolarHBondContact CA-O 3.28Å; T813-N822 VanDerWaalsContact CG2-OD1 3.26Å; T813-N822 WeakPolarHBondContact CG2-OD1 3.43Å; T813-M907 HydrophobicContact CG2-CE 3.52Å; T813-M907 HydrophobicContact CG2-SD 4.42Å
814G82.5Confident88.6Confident10 Ų1019.9 Ų19.910%0.10313%0.125CC..EExtended strand (participates in β ladder)trans-163.9146.8-179.700000112.8A820 T821G814-A820 CarbonylContact O-C 3.54Å; G814-A820 VanDerWaalsContact O-CA 3.26Å; G814-A820 WeakPolarHBondContact O-CA 3.41Å; G814-T821 PolarHBondContact N-O 3.35Å; G814-T821 PolarHBondContact O-N 3.14Å
815I77.5Confident88.6Confident141 Ų14120 Ų2072%0.72313%0.126SC*.EExtended strand (participates in β ladder)trans-121.7125174.2-56.4174.3000106.8A674A674-I815 WeakPolarHBondContact CB-O 3.43Å
816A70.1Confident88.7Confident12 Ų1219.8 Ų19.810%0.09912%0.124CC..  trans-115.5-175.7176.500000110.2I670 A674 G818 M819I670-A816 HydrophobicContact CB-CB 4.38Å; I670-A816 HydrophobicContact CG1-CB 3.63Å; A674-A816 HydrophobicContact CB-CB 3.41Å; A674-A816 VanDerWaalsContact CB-CB 3.41Å; A816-G818 PolarHBondContact O-N 2.77Å; A816-M819 CarbonylContact C-O 3.56Å; A816-M819 HydrophobicContact CB-CB 4.27Å; A816-M819 PolarHBondContact N-O 3.08Å; A816-M819 VanDerWaalsContact O-O 3.13Å
817V65.3Low88.7Confident22 Ų2219.9 Ų19.913%0.13313%0.125CC..SBendtrans-68106.5175.6-176.20000109.3F662 Y665 A666 V669 M819F662-V817 HydrophobicContact CE1-CG1 3.85Å; F662-V817 HydrophobicContact CE2-CG1 4.39Å; F662-V817 HydrophobicContact CZ-CG1 3.48Å; F662-V817 VanDerWaalsContact CZ-CG1 3.48Å; Y665-V817 HydrophobicContact CD1-CG2 4.21Å; Y665-V817 HydrophobicContact CE1-CG2 3.56Å; A666-V817 HydrophobicContact CB-CB 3.99Å; A666-V817 HydrophobicContact CB-CG1 4.02Å; A666-V817 HydrophobicContact CB-CG2 4.4Å; V669-V817 HydrophobicContact CB-CG2 4.21Å; V669-V817 HydrophobicContact CG1-CG2 4.12Å; V817-M819 PolarHBondContact O-N 3.34Å; V817-M819 VanDerWaalsContact O-N 3.16Å
818G65.3Low88.7Confident27 Ų2719.7 Ų19.728%0.27812%0.124SC..SBendtrans75.4-6.5179.500000115.5A816A816-G818 PolarHBondContact O-N 2.77Å
819M76.7Confident88.6Confident50 Ų5025.4 Ų25.425%0.24615%0.145CC..  trans-125.5157-177.2-60.6-176.6-177.600111.4I670 A816 V817 L975 P982I670-M819 HydrophobicContact CD1-CE 4.31Å; I670-M819 HydrophobicContact CD1-SD 4.01Å; I670-M819 HydrophobicContact CG1-SD 4.49Å; I670-M819 HydrophobicContact CG2-SD 4.49Å; A816-M819 CarbonylContact C-O 3.56Å; A816-M819 HydrophobicContact CB-CB 4.27Å; A816-M819 PolarHBondContact N-O 3.08Å; A816-M819 VanDerWaalsContact O-O 3.13Å; V817-M819 PolarHBondContact O-N 3.34Å; V817-M819 VanDerWaalsContact O-N 3.16Å; M819-L975 HydrophobicContact CB-CD2 3.73Å; M819-L975 HydrophobicContact CG-CD2 4.33Å; M819-L975 HydrophobicContact SD-CD2 4.16Å; M819-P982 HydrophobicContact CE-CB 4.36Å; M819-P982 HydrophobicContact CE-CG 4.45Å; M819-P982 HydrophobicContact SD-CB 3.75Å; M819-P982 HydrophobicContact SD-CG 4.04Å
820A84.7Confident88.6Confident29 Ų2927 Ų2724%0.2415%0.153CC..EExtended strand (participates in β ladder)trans-143.6156.4171.200000109.2G814 N973 L975G814-A820 CarbonylContact O-C 3.54Å; G814-A820 VanDerWaalsContact O-CA 3.26Å; G814-A820 WeakPolarHBondContact O-CA 3.41Å; A820-N973 PolarHBondContact O-ND2 3.37Å; A820-L975 WeakPolarHBondContact O-CB 3.19Å; A820-L975 VanDerWaalsContact O-CD2 3.25Å; A820-L975 WeakPolarHBondContact O-CD2 3.12Å
821T91.9Very high88.6Confident4 Ų426.8 Ų26.83%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-129.4137.3170.9-175.30000108.9L675 T813 G814 N973 L975L675-T821 HydrophobicContact CD2-CG2 3.66Å; T813-T821 WeakPolarHBondContact CA-O 3.28Å; G814-T821 PolarHBondContact N-O 3.35Å; G814-T821 PolarHBondContact O-N 3.14Å; T821-N973 WeakPolarHBondContact CA-O 3.32Å; T821-N973 PolarHBondContact OG1-O 3.08Å; T821-L975 WeakPolarHBondContact CB-O 3.31Å; T821-L975 PolarHBondContact OG1-O 2.89Å
822N94.6Very high88.7Confident39 Ų3926.9 Ų26.921%0.20915%0.15CC..EExtended strand (participates in β ladder)trans-148.484.2176.6-165.829.8000108.5A812 T813 F970 S971 F972 N973A812-N822 WeakPolarHBondContact O-CA 3.47Å; T813-N822 VanDerWaalsContact CG2-OD1 3.26Å; T813-N822 WeakPolarHBondContact CG2-OD1 3.43Å; N822-F970 VanDerWaalsContact CG-CZ 3.46Å; N822-F970 VanDerWaalsContact ND2-CZ 3.35Å; N822-F970 WeakPolarHBondContact ND2-CZ 3.21Å; N822-F970 WeakPolarHBondContact OD1-CZ 3.42Å; N822-S971 WeakPolarHBondContact CB-O 3.38Å; N822-S971 PolarHBondContact ND2-O 2.99Å; N822-F972 WeakPolarHBondContact O-CA 3.39Å; N822-N973 HydrophobicContact CB-CB 4.47Å; N822-N973 PolarHBondContact N-O 3.07Å; N822-N973 PolarHBondContact O-N 2.98Å
823I96.4Very high88.8Confident2 Ų227.9 Ų27.91%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-99.8120.5178.5-63164.3000107.1L807 L808 G811 A812 M974L807-I823 HydrophobicContact CD1-CD1 3.7Å; L807-I823 HydrophobicContact CD2-CD1 4.19Å; L807-I823 HydrophobicContact CG-CD1 4.05Å; L808-I823 HydrophobicContact CD2-CG2 4.4Å; G811-I823 CarbonylContact C-O 3.46Å; G811-I823 WeakPolarHBondContact CA-O 3.07Å; A812-I823 PolarHBondContact N-O 2.89Å; A812-I823 PolarHBondContact O-N 3.12Å; I823-M974 HydrophobicContact CG1-CB 4.09Å; I823-M974 HydrophobicContact CG1-CG 4.03Å
824P96Very high89.1Confident0 Ų025.9 Ų25.90%015%0.146CC..PPolyproline II helixtrans-76.6155.1179.229-27.8000111.8H826 P856 F858 F970 F972P824-H826 PolarHBondContact O-CE1 3.41Å; P824-H826 PolarHBondContact O-ND1 2.98Å; P824-P856 HydrophobicContact CB-CB 3.96Å; P824-P856 HydrophobicContact CB-CG 4.03Å; P824-P856 HydrophobicContact CG-CB 4.18Å; P824-P856 HydrophobicContact CG-CG 3.74Å; P824-F858 HydrophobicContact CB-CE1 3.77Å; P824-F858 HydrophobicContact CB-CZ 4.13Å; P824-F970 HydrophobicContact CB-CD1 4.28Å; P824-F970 HydrophobicContact CB-CE1 3.57Å; P824-F970 HydrophobicContact CB-CE2 4.5Å; P824-F970 HydrophobicContact CB-CZ 3.68Å; P824-F970 HydrophobicContact CG-CD1 4.45Å; P824-F970 HydrophobicContact CG-CE1 3.77Å; P824-F970 HydrophobicContact CG-CZ 4.32Å; P824-F972 HydrophobicContact CG-CD1 3.65Å; P824-F972 HydrophobicContact CG-CE1 3.23Å; P824-F972 HydrophobicContact CG-CE2 4.28Å; P824-F972 HydrophobicContact CG-CG 4.37Å; P824-F972 HydrophobicContact CG-CZ 3.61Å
825P97.4Very high89.8Confident1 Ų125.5 Ų25.51%0.00614%0.142CC..PPolyproline II helixtrans-67.2154.7171.128.3-34.7000112.5R740 L808 V809 P856 D857 F858R740-P825 HydrophobicContact CB-CB 3.84Å; R740-P825 HydrophobicContact CG-CB 4.45Å; L808-P825 CarbonylContact O-C 3.56Å; L808-P825 WeakPolarHBondContact O-CA 3.35Å; V809-P825 WeakPolarHBondContact O-CA 3.33Å; V809-P825 VanDerWaalsContact O-CB 3.25Å; V809-P825 WeakPolarHBondContact O-CB 3.45Å; P825-P856 WeakPolarHBondContact O-CA 3.46Å; P825-D857 CarbonylContact C-O 3.52Å; P825-D857 WeakPolarHBondContact CB-O 3.4Å; P825-D857 WeakPolarHBondContact CG-O 3.22Å; P825-D857 PolarHBondContact O-N 3.38Å; P825-F858 HydrophobicContact CG-CD1 3.72Å; P825-F858 HydrophobicContact CG-CE1 4.34Å
826H97.7Very high90.6Very high1 Ų123 Ų231%0.00513%0.127CC..  trans-136.8162.6-179.8-64.677.3000110.5L808 V809 P824 V831 G855 Y874L808-H826 WeakPolarHBondContact O-CB 3.45Å; L808-H826 PolarHBondContact O-N 3.46Å; L808-H826 PolarHBondContact O-ND1 3.13Å; V809-H826 PolarHBondContact O-N 3.32Å; P824-H826 PolarHBondContact O-CE1 3.41Å; P824-H826 PolarHBondContact O-ND1 2.98Å; H826-V831 HydrophobicContact CB-CG2 3.62Å; H826-G855 PolarHBondContact CD2-O 3.48Å; H826-Y874 PolarHBondContact CD2-OH 2.75Å; H826-Y874 AromaticContact NE2-CE1 3.58Å; H826-Y874 AromaticContact NE2-CZ 3.56Å; H826-Y874 PolarHBondContact NE2-OH 3.05Å
827N97.9Very high91.8Very high4 Ų424.5 Ų24.52%0.02113%0.133CC..  trans-74.3133.7178.3-172.6-78.4000111.2R740 R829 E830 V831 D857 D1121R740-N827 PolarHBondContact NH2-ND2 3.28Å; N827-R829 VanDerWaalsContact C-N 3.34Å; N827-R829 PolarHBondContact O-N 3.48Å; N827-R829 WeakPolarHBondContact OD1-CB 3.38Å; N827-R829 PolarHBondContact OD1-N 3.27Å; N827-E830 HydrophobicContact CB-CB 4.27Å; N827-E830 HydrophobicContact CB-CG 4.13Å; N827-E830 WeakPolarHBondContact CB-OE2 3.34Å; N827-E830 PolarHBondContact O-N 2.95Å; N827-V831 WeakPolarHBondContact O-CG2 3.21Å; N827-V831 PolarHBondContact O-N 2.67Å; N827-V831 VanDerWaalsContact O-N 3.08Å; N827-D857 HydrophobicContact CB-CB 4.09Å; N827-D857 PolarHBondContact ND2-OD2 3.17Å; N827-D1121 PolarHBondContact ND2-O 3.18Å
828L97.1Very high93.2Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-58.1-41.4-178.2177.161.9000113.2I771 F804 V809 T832 I1115 F1119I771-L828 HydrophobicContact CD1-CD2 4.18Å; F804-L828 HydrophobicContact CB-CD1 4.1Å; F804-L828 HydrophobicContact CD2-CD1 4.27Å; V809-L828 HydrophobicContact CG1-CB 4.47Å; V809-L828 HydrophobicContact CG2-CB 4.44Å; V809-L828 HydrophobicContact CG2-CD1 3.86Å; L828-T832 PolarHBondContact O-N 2.93Å; L828-T832 PolarHBondContact O-OG1 2.81Å; L828-T832 VanDerWaalsContact O-OG1 3.12Å; L828-I1115 HydrophobicContact CD2-CG2 4.2Å; L828-F1119 HydrophobicContact CD2-CB 3.83Å
829R96.9Very high94.5Very high121 Ų12123.2 Ų23.246%0.45712%0.119SC..Hα-helixtrans-67-39.5-177.4-64.2-177.3176.2168.84.8111.8N827 T832 A833 G1120N827-R829 VanDerWaalsContact C-N 3.34Å; N827-R829 PolarHBondContact O-N 3.48Å; N827-R829 WeakPolarHBondContact OD1-CB 3.38Å; N827-R829 PolarHBondContact OD1-N 3.27Å; R829-T832 PolarHBondContact O-N 2.8Å; R829-A833 PolarHBondContact O-N 3.16Å; R829-G1120 PolarHBondContact NE-O 3.06Å; R829-G1120 PolarHBondContact NH2-O 3.09Å
830E97.3Very high95.2Very high35 Ų3526.7 Ų26.716%0.16414%0.135CC..Hα-helixtrans-70.3-42.5179.6-69.7173.5174.100112.1N827 T832 A833 G834 C852 I853 R1123N827-E830 HydrophobicContact CB-CB 4.27Å; N827-E830 HydrophobicContact CB-CG 4.13Å; N827-E830 WeakPolarHBondContact CB-OE2 3.34Å; N827-E830 PolarHBondContact O-N 2.95Å; E830-T832 VanDerWaalsContact C-N 3.29Å; E830-T832 PolarHBondContact O-N 3.24Å; E830-A833 PolarHBondContact O-N 3.17Å; E830-G834 PolarHBondContact O-N 3.02Å; E830-C852 VanDerWaalsContact CB-O 3.27Å; E830-C852 WeakPolarHBondContact CB-O 3.26Å; E830-C852 WeakPolarHBondContact CG-O 3.28Å; E830-I853 HydrophobicContact CB-CG1 4.45Å; E830-I853 VanDerWaalsContact O-CG1 3.31Å; E830-I853 WeakPolarHBondContact O-CG1 3.49Å; E830-R1123 VanDerWaalsContact CD-CZ 3.46Å; E830-R1123 IonicContact OE1-CZ 2.7Å; E830-R1123 IonicContact OE1-NE 3.13Å; E830-R1123 IonicContact OE1-NH1 2.81Å; E830-R1123 PolarHBondContact OE1-NH1 2.92Å; E830-R1123 IonicContact OE1-NH2 3.22Å; E830-R1123 PolarHBondContact OE1-NH2 3.04Å; E830-R1123 VanDerWaalsContact OE1-NH2 3.11Å; E830-R1123 IonicContact OE2-CZ 3.75Å; E830-R1123 IonicContact OE2-NH1 3.39Å; E830-R1123 PolarHBondContact OE2-NH1 3.16Å; E830-R1123 IonicContact OE2-NH2 2.86Å; E830-R1123 PolarHBondContact OE2-NH2 3.49Å
831V97.3Very high95.6Very high0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-63.9-39.6175.8-173.80000110.2P805 L808 V809 H826 N827 G834 I835 I853 L991P805-V831 HydrophobicContact CB-CG1 3.87Å; P805-V831 HydrophobicContact CG-CB 4.09Å; P805-V831 HydrophobicContact CG-CG1 3.3Å; L808-V831 HydrophobicContact CB-CG1 4.21Å; L808-V831 HydrophobicContact CB-CG2 4.13Å; L808-V831 HydrophobicContact CD1-CG1 3.91Å; V809-V831 HydrophobicContact CG2-CG2 4.44Å; H826-V831 HydrophobicContact CB-CG2 3.62Å; N827-V831 WeakPolarHBondContact O-CG2 3.21Å; N827-V831 PolarHBondContact O-N 2.67Å; N827-V831 VanDerWaalsContact O-N 3.08Å; V831-G834 PolarHBondContact O-N 3.01Å; V831-I835 HydrophobicContact CG1-CD1 4.39Å; V831-I835 WeakPolarHBondContact O-CG1 3.14Å; V831-I835 PolarHBondContact O-N 3.5Å; V831-I853 HydrophobicContact CG2-CD1 4.49Å; V831-L991 HydrophobicContact CG1-CD2 3.97Å
832T96.3Very high95.6Very high11 Ų1131.7 Ų31.77%0.06716%0.161CC..Hα-helixtrans-60.4-44.6172.6-65.70000112.1L828 R829 E830 G834 I835 E836 L1112 A1116L828-T832 PolarHBondContact O-N 2.93Å; L828-T832 PolarHBondContact O-OG1 2.81Å; L828-T832 VanDerWaalsContact O-OG1 3.12Å; R829-T832 PolarHBondContact O-N 2.8Å; E830-T832 VanDerWaalsContact C-N 3.29Å; E830-T832 PolarHBondContact O-N 3.24Å; T832-G834 VanDerWaalsContact C-N 3.34Å; T832-G834 PolarHBondContact O-N 2.86Å; T832-I835 WeakPolarHBondContact O-CB 3.3Å; T832-I835 PolarHBondContact O-N 3.37Å; T832-E836 PolarHBondContact O-N 2.92Å; T832-L1112 HydrophobicContact CG2-CB 3.93Å; T832-A1116 HydrophobicContact CG2-CB 4.12Å
833A96Very high95.5Very high35 Ų3537.1 Ų37.129%0.28919%0.185SC..Hα-helixtrans-62.3-39.5176.400000112.4R829 E830 I835 E836 L837 C852R829-A833 PolarHBondContact O-N 3.16Å; E830-A833 PolarHBondContact O-N 3.17Å; A833-I835 VanDerWaalsContact C-N 3.34Å; A833-I835 PolarHBondContact O-N 2.83Å; A833-E836 PolarHBondContact O-N 3.21Å; A833-L837 PolarHBondContact O-N 2.66Å; A833-C852 HydrophobicContact CB-CB 4.11Å
834G96.3Very high95.3Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-65.8-33.917500000113.5E830 V831 T832 L838E830-G834 PolarHBondContact O-N 3.02Å; V831-G834 PolarHBondContact O-N 3.01Å; T832-G834 VanDerWaalsContact C-N 3.34Å; T832-G834 PolarHBondContact O-N 2.86Å; G834-L838 WeakPolarHBondContact O-CB 3.31Å; G834-L838 PolarHBondContact O-N 2.77Å; G834-L838 VanDerWaalsContact O-N 3.13Å
835I96.4Very high95.1Very high1 Ų140.4 Ų40.41%0.00521%0.206CC..Hα-helixtrans-66.3-45.8172.3-69.6165.9000110.5P805 V831 T832 A833 L838 M839 L991 Y994 I995 L1112P805-I835 HydrophobicContact CB-CD1 4.06Å; P805-I835 HydrophobicContact CG-CD1 3.7Å; V831-I835 HydrophobicContact CG1-CD1 4.39Å; V831-I835 WeakPolarHBondContact O-CG1 3.14Å; V831-I835 PolarHBondContact O-N 3.5Å; T832-I835 WeakPolarHBondContact O-CB 3.3Å; T832-I835 PolarHBondContact O-N 3.37Å; A833-I835 VanDerWaalsContact C-N 3.34Å; A833-I835 PolarHBondContact O-N 2.83Å; I835-L838 PolarHBondContact O-N 3.43Å; I835-M839 HydrophobicContact CG2-CG 4.28Å; I835-M839 HydrophobicContact CG2-SD 3.88Å; I835-M839 VanDerWaalsContact O-CG 3.3Å; I835-M839 WeakPolarHBondContact O-CG 3.22Å; I835-M839 PolarHBondContact O-N 2.78Å; I835-L991 HydrophobicContact CD1-CD2 4.48Å; I835-L991 HydrophobicContact CG1-CD2 3.84Å; I835-Y994 HydrophobicContact CD1-CD1 3.54Å; I835-Y994 HydrophobicContact CD1-CE1 3.59Å; I835-Y994 HydrophobicContact CG1-CD1 4.37Å; I835-I995 HydrophobicContact CG2-CD1 4.07Å; I835-I995 HydrophobicContact CG2-CG1 3.85Å; I835-L1112 HydrophobicContact CB-CD1 4.34Å; I835-L1112 HydrophobicContact CD1-CD1 4.09Å; I835-L1112 HydrophobicContact CG2-CD1 3.68Å
836E95.1Very high94.9Very high89 Ų8941.6 Ų41.642%0.41621%0.213SC..Hα-helixtrans-60.1-47.1179.1-173.5168.1-159.400111.4T832 A833 L838 M839 E840T832-E836 PolarHBondContact O-N 2.92Å; A833-E836 PolarHBondContact O-N 3.21Å; E836-L838 VanDerWaalsContact C-N 3.32Å; E836-L838 PolarHBondContact O-N 2.9Å; E836-M839 PolarHBondContact O-N 3.32Å; E836-E840 WeakPolarHBondContact O-CG 3.34Å; E836-E840 PolarHBondContact O-N 3.49Å
837L95.3Very high94.5Very high44 Ų4447 Ų4723%0.2324%0.238CC..Hα-helixtrans-56-45.8174.2176.363.6000111.9A833 M839 E840 N841 A844 E848 L849A833-L837 PolarHBondContact O-N 2.66Å; L837-M839 VanDerWaalsContact C-N 3.33Å; L837-M839 PolarHBondContact O-N 2.78Å; L837-E840 PolarHBondContact O-N 2.87Å; L837-N841 PolarHBondContact O-N 3.47Å; L837-A844 HydrophobicContact CG-CB 4.41Å; L837-E848 HydrophobicContact CD2-CB 4.18Å; L837-L849 HydrophobicContact CD2-CD2 4.28Å
838L94.4Very high94.2Very high7 Ų750 Ų504%0.03725%0.252CS..Hα-helixtrans-70.2-29.6-178.6-171.264.5000112.8G834 I835 E836 E840 N841 P842 A844 L849 K988 L991 E992 I995G834-L838 WeakPolarHBondContact O-CB 3.31Å; G834-L838 PolarHBondContact O-N 2.77Å; G834-L838 VanDerWaalsContact O-N 3.13Å; I835-L838 PolarHBondContact O-N 3.43Å; E836-L838 VanDerWaalsContact C-N 3.32Å; E836-L838 PolarHBondContact O-N 2.9Å; L838-E840 VanDerWaalsContact C-N 3.35Å; L838-N841 CarbonylContact O-C 3.41Å; L838-N841 VanDerWaalsContact O-C 3.28Å; L838-P842 WeakPolarHBondContact O-CA 3.31Å; L838-A844 HydrophobicContact CD1-CB 4.33Å; L838-L849 HydrophobicContact CB-CD2 4.46Å; L838-K988 HydrophobicContact CD1-CD 4.49Å; L838-K988 HydrophobicContact CD1-CG 4.24Å; L838-L991 HydrophobicContact CD2-CB 3.64Å; L838-E992 HydrophobicContact CD2-CG 3.86Å; L838-I995 HydrophobicContact CB-CD1 4.32Å; L838-I995 HydrophobicContact CD2-CD1 3.86Å; L838-I995 HydrophobicContact CG-CD1 4.21Å
839M92.8Very high94.1Very high15 Ų1550 Ų507%0.07425%0.252CS..Hα-helixtrans-72.4-28.4173.1-71.5-179.872.400112.5I835 E836 L837 I995 E1105 I1108 R1109I835-M839 HydrophobicContact CG2-CG 4.28Å; I835-M839 HydrophobicContact CG2-SD 3.88Å; I835-M839 VanDerWaalsContact O-CG 3.3Å; I835-M839 WeakPolarHBondContact O-CG 3.22Å; I835-M839 PolarHBondContact O-N 2.78Å; E836-M839 PolarHBondContact O-N 3.32Å; L837-M839 VanDerWaalsContact C-N 3.33Å; L837-M839 PolarHBondContact O-N 2.78Å; M839-I995 HydrophobicContact CG-CD1 3.9Å; M839-I995 HydrophobicContact CG-CG1 4.35Å; M839-I995 HydrophobicContact CG-CG2 4.41Å; M839-E1105 HydrophobicContact CE-CB 3.49Å; M839-E1105 VanDerWaalsContact CE-CB 3.49Å; M839-E1105 HydrophobicContact CE-CG 3.74Å; M839-E1105 WeakPolarHBondContact CE-O 3.47Å; M839-I1108 HydrophobicContact CE-CB 4.03Å; M839-I1108 HydrophobicContact CE-CD1 4.38Å; M839-I1108 HydrophobicContact CE-CG2 4.13Å; M839-I1108 HydrophobicContact SD-CB 4.43Å; M839-I1108 HydrophobicContact SD-CG2 3.89Å; M839-R1109 HydrophobicContact CE-CG 3.92Å; M839-R1109 HydrophobicContact SD-CG 3.98Å
840E92.2Very high94Very high123 Ų12345.7 Ų45.758%0.57524%0.238SC*.Hα-helixtrans-84-37.1174.8-68.1-173.716400112.6E836 L837 L838 R1109E836-E840 WeakPolarHBondContact O-CG 3.34Å; E836-E840 PolarHBondContact O-N 3.49Å; L837-E840 PolarHBondContact O-N 2.87Å; L838-E840 VanDerWaalsContact C-N 3.35Å; E840-R1109 IonicContact OE1-NH1 3.35Å; E840-R1109 PolarHBondContact OE1-NH1 2.93Å
841N92.8Very high93.8Very high58 Ų5851.1 Ų51.131%0.3126%0.263SS..  trans-130.989.5177.6-177.810.5000110.5L837 L838 E843 A844L837-N841 PolarHBondContact O-N 3.47Å; L838-N841 CarbonylContact O-C 3.41Å; L838-N841 VanDerWaalsContact O-C 3.28Å; N841-E843 PolarHBondContact O-N 2.85Å; N841-E843 VanDerWaalsContact O-N 3.09Å; N841-E843 PolarHBondContact OD1-N 3.18Å; N841-E843 VanDerWaalsContact OD1-N 3.16Å; N841-A844 HydrophobicContact CB-CB 4.4Å; N841-A844 WeakPolarHBondContact O-CB 3.48Å; N841-A844 PolarHBondContact O-N 3.5Å; N841-A844 PolarHBondContact OD1-N 2.91Å
842P91.4Very high93.6Very high79 Ų7952.7 Ų52.751%0.51327%0.274SS..THydrogen-bonded Turntrans-58.4-23176.1-26.535.7000113.8L838 A844 K988L838-P842 WeakPolarHBondContact O-CA 3.31Å; P842-A844 VanDerWaalsContact C-N 3.31Å; P842-K988 WeakPolarHBondContact O-CE 3.37Å; P842-K988 PolarHBondContact O-NZ 2.86Å
843E92.4Very high93.6Very high153 Ų15352.2 Ų52.272%0.71527%0.271SS*.THydrogen-bonded Turntrans-88.75.8178.2-62.3-56.3146.100113.3N841 T845N841-E843 PolarHBondContact O-N 2.85Å; N841-E843 VanDerWaalsContact O-N 3.09Å; N841-E843 PolarHBondContact OD1-N 3.18Å; N841-E843 VanDerWaalsContact OD1-N 3.16Å; E843-T845 PolarHBondContact O-N 3.38Å
844A93.1Very high93.5Very high0 Ų052 Ų520%027%0.266CS..  trans-49.4131.3177.900000111.3L837 L838 N841 P842 E848 K988L837-A844 HydrophobicContact CG-CB 4.41Å; L838-A844 HydrophobicContact CD1-CB 4.33Å; N841-A844 HydrophobicContact CB-CB 4.4Å; N841-A844 WeakPolarHBondContact O-CB 3.48Å; N841-A844 PolarHBondContact O-N 3.5Å; N841-A844 PolarHBondContact OD1-N 2.91Å; P842-A844 VanDerWaalsContact C-N 3.31Å; A844-E848 WeakPolarHBondContact CA-OE2 3.33Å; A844-K988 PolarHBondContact O-NZ 3.42Å; A844-K988 VanDerWaalsContact O-NZ 3.07Å
845T92.1Very high93.4Very high72 Ų7252 Ų5244%0.44227%0.266SS..  trans-77.316117864.10000110.3E843 Q847 E848 L849E843-T845 PolarHBondContact O-N 3.38Å; T845-Q847 PolarHBondContact O-N 2.93Å; T845-E848 WeakPolarHBondContact CB-OE2 3.12Å; T845-E848 PolarHBondContact N-OE2 3.44Å; T845-E848 PolarHBondContact O-N 2.67Å; T845-E848 WeakPolarHBondContact OG1-CG 3.36Å; T845-E848 PolarHBondContact OG1-N 3.43Å; T845-E848 PolarHBondContact OG1-OE2 2.84Å; T845-L849 PolarHBondContact O-N 2.73Å
846T91.5Very high93.4Very high26 Ų2651.9 Ų51.916%0.1627%0.266CS..Hα-helixtrans-58.9-30174.6-480000112.2M850 E875T846-M850 VanDerWaalsContact O-CG 3.26Å; T846-M850 WeakPolarHBondContact O-CG 3.22Å; T846-M850 PolarHBondContact O-N 3.07Å; T846-E875 HydrophobicContact CG2-CG 3.75Å
847Q90Very high93.5Very high113 Ų11347.7 Ų47.753%0.52825%0.246SC..Hα-helixtrans-68.9-45.4178.6-176.4169.6-15.600111.7T845 L849 M850 E851T845-Q847 PolarHBondContact O-N 2.93Å; Q847-L849 VanDerWaalsContact C-N 3.35Å; Q847-M850 WeakPolarHBondContact O-CB 3.31Å; Q847-M850 PolarHBondContact O-N 3.08Å; Q847-M850 VanDerWaalsContact O-N 3.12Å; Q847-E851 PolarHBondContact O-N 2.9Å
848E92.8Very high93.6Very high68 Ų6845.6 Ų45.632%0.31824%0.235SC..Hα-helixtrans-63.2-41.5174.6-67.5161.3129.100110.9L837 A844 T845 M850 E851L837-E848 HydrophobicContact CD2-CB 4.18Å; A844-E848 WeakPolarHBondContact CA-OE2 3.33Å; T845-E848 WeakPolarHBondContact CB-OE2 3.12Å; T845-E848 PolarHBondContact N-OE2 3.44Å; T845-E848 PolarHBondContact O-N 2.67Å; T845-E848 WeakPolarHBondContact OG1-CG 3.36Å; T845-E848 PolarHBondContact OG1-N 3.43Å; T845-E848 PolarHBondContact OG1-OE2 2.84Å; E848-M850 PolarHBondContact O-N 3.08Å; E848-E851 WeakPolarHBondContact O-CB 3.38Å; E848-E851 PolarHBondContact O-N 2.78Å
849L94.9Very high93.6Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-61.2-31173.9-71.7172.5000112.9L837 L838 T845 Q847 E851 C852 I853 L987 K988 L991L837-L849 HydrophobicContact CD2-CD2 4.28Å; L838-L849 HydrophobicContact CB-CD2 4.46Å; T845-L849 PolarHBondContact O-N 2.73Å; Q847-L849 VanDerWaalsContact C-N 3.35Å; L849-E851 VanDerWaalsContact C-N 3.28Å; L849-E851 PolarHBondContact O-N 2.97Å; L849-C852 PolarHBondContact O-N 3.29Å; L849-I853 PolarHBondContact O-N 3.28Å; L849-L987 HydrophobicContact CB-CD2 4.34Å; L849-K988 HydrophobicContact CD1-CB 3.85Å; L849-K988 HydrophobicContact CD1-CG 4.3Å; L849-L991 HydrophobicContact CD2-CD1 4.02Å
850M93.3Very high93.7Very high30 Ų3046.5 Ų46.515%0.14824%0.242CC..Hα-helixtrans-73-18176.5-79.5-178.372.700113.7T846 Q847 E848 C852 I853 P854 I870 R871 Y874T846-M850 VanDerWaalsContact O-CG 3.26Å; T846-M850 WeakPolarHBondContact O-CG 3.22Å; T846-M850 PolarHBondContact O-N 3.07Å; Q847-M850 WeakPolarHBondContact O-CB 3.31Å; Q847-M850 PolarHBondContact O-N 3.08Å; Q847-M850 VanDerWaalsContact O-N 3.12Å; E848-M850 PolarHBondContact O-N 3.08Å; M850-C852 VanDerWaalsContact C-N 3.33Å; M850-I853 WeakPolarHBondContact CA-O 3.32Å; M850-I853 CarbonylContact O-C 3.53Å; M850-P854 VanDerWaalsContact O-CA 3.26Å; M850-P854 WeakPolarHBondContact O-CA 2.67Å; M850-I870 HydrophobicContact CE-CG2 4.24Å; M850-R871 HydrophobicContact CE-CB 4.04Å; M850-R871 HydrophobicContact SD-CB 3.82Å; M850-R871 HydrophobicContact SD-CG 3.96Å; M850-Y874 HydrophobicContact CG-CD2 3.63Å; M850-Y874 HydrophobicContact CG-CE2 4.13Å; M850-Y874 HydrophobicContact SD-CD2 4.1Å
851E93.4Very high93.7Very high149 Ų14940.8 Ų40.870%0.69622%0.216SC*.Hα-helixtrans-69.8-35.8171.4-63.2176.1-177.400110.5Q847 E848 L849Q847-E851 PolarHBondContact O-N 2.9Å; E848-E851 WeakPolarHBondContact O-CB 3.38Å; E848-E851 PolarHBondContact O-N 2.78Å; L849-E851 VanDerWaalsContact C-N 3.28Å; L849-E851 PolarHBondContact O-N 2.97Å
852C94.5Very high93.7Very high34 Ų3438 Ų3823%0.2320%0.201CC..Hα-helixtrans-82.7-41.1173.8-57.20000113.1E830 A833 L849 M850 P854E830-C852 VanDerWaalsContact CB-O 3.27Å; E830-C852 WeakPolarHBondContact CB-O 3.26Å; E830-C852 WeakPolarHBondContact CG-O 3.28Å; A833-C852 HydrophobicContact CB-CB 4.11Å; L849-C852 PolarHBondContact O-N 3.29Å; M850-C852 VanDerWaalsContact C-N 3.33Å; C852-P854 WeakPolarHBondContact O-CD 3.18Å
853I95.8Very high93.8Very high0 Ų035.2 Ų35.20%018%0.182CC..  trans-11882.6-176.9-52.4174.2000108.5E830 V831 L849 M850 G855 Y874 L987 L991E830-I853 HydrophobicContact CB-CG1 4.45Å; E830-I853 VanDerWaalsContact O-CG1 3.31Å; E830-I853 WeakPolarHBondContact O-CG1 3.49Å; V831-I853 HydrophobicContact CG2-CD1 4.49Å; L849-I853 PolarHBondContact O-N 3.28Å; M850-I853 WeakPolarHBondContact CA-O 3.32Å; M850-I853 CarbonylContact O-C 3.53Å; I853-G855 VanDerWaalsContact C-N 3.26Å; I853-G855 PolarHBondContact O-N 3.04Å; I853-Y874 HydrophobicContact CG2-CE2 4.41Å; I853-Y874 WeakPolarHBondContact O-CE2 3.31Å; I853-L987 HydrophobicContact CB-CD2 4.46Å; I853-L987 HydrophobicContact CD1-CD1 4.3Å; I853-L987 HydrophobicContact CD1-CD2 4.29Å; I853-L991 HydrophobicContact CD1-CD1 4.18Å
854P93.6Very high93.8Very high30 Ų3028 Ų2820%0.19515%0.148CC..  trans-70.3-20.8-171.427.7-36.3000114M850 C852 L1127M850-P854 VanDerWaalsContact O-CA 3.26Å; M850-P854 WeakPolarHBondContact O-CA 2.67Å; C852-P854 WeakPolarHBondContact O-CD 3.18Å; P854-L1127 HydrophobicContact CB-CD1 3.77Å; P854-L1127 HydrophobicContact CG-CD1 4.04Å
855G94.1Very high93.4Very high0 Ų029.4 Ų29.40%016%0.155CC..SBendtrans168.4179.8-178.400000113.3H826 I853 Y874 R1123H826-G855 PolarHBondContact CD2-O 3.48Å; I853-G855 VanDerWaalsContact C-N 3.26Å; I853-G855 PolarHBondContact O-N 3.04Å; G855-Y874 VanDerWaalsContact C-OH 3.27Å; G855-Y874 WeakPolarHBondContact CA-OH 3.39Å; G855-R1123 PolarHBondContact O-NH2 2.86Å; G855-R1123 VanDerWaalsContact O-NH2 3.16Å
856P96.1Very high92.5Very high0 Ų026.4 Ų26.40%014%0.139CC..  trans-57.5154.1172.7-2737.2000113.9P824 P825 F858 I881 F972P824-P856 HydrophobicContact CB-CB 3.96Å; P824-P856 HydrophobicContact CB-CG 4.03Å; P824-P856 HydrophobicContact CG-CB 4.18Å; P824-P856 HydrophobicContact CG-CG 3.74Å; P825-P856 WeakPolarHBondContact O-CA 3.46Å; P856-F858 HydrophobicContact CB-CE1 4.41Å; P856-F858 HydrophobicContact CB-CE2 4.01Å; P856-F858 HydrophobicContact CB-CZ 3.93Å; P856-I881 HydrophobicContact CG-CD1 4.09Å; P856-F972 HydrophobicContact CG-CE1 4.08Å; P856-F972 HydrophobicContact CG-CE2 4.26Å; P856-F972 HydrophobicContact CG-CZ 3.39Å
857D97.2Very high92.1Very high0 Ų029.7 Ų29.70%015%0.151CC..  trans-131.1101.4171.5-171.725.3000109.2R740 P825 N827 R1124 T1125R740-D857 WeakPolarHBondContact CD-O 3.41Å; R740-D857 IonicContact CZ-OD2 2.75Å; R740-D857 VanDerWaalsContact CZ-OD2 3.25Å; R740-D857 IonicContact NE-OD2 2.97Å; R740-D857 PolarHBondContact NE-OD2 3.4Å; R740-D857 IonicContact NH2-OD2 3.29Å; R740-D857 PolarHBondContact NH2-OD2 2.94Å; P825-D857 CarbonylContact C-O 3.52Å; P825-D857 WeakPolarHBondContact CB-O 3.4Å; P825-D857 WeakPolarHBondContact CG-O 3.22Å; P825-D857 PolarHBondContact O-N 3.38Å; N827-D857 HydrophobicContact CB-CB 4.09Å; N827-D857 PolarHBondContact ND2-OD2 3.17Å; D857-R1124 WeakPolarHBondContact OD1-CA 3.49Å; D857-R1124 PolarHBondContact OD1-N 3.39Å; D857-T1125 PolarHBondContact OD1-N 3.36Å
858F96.5Very high91.8Very high0 Ų027.7 Ų27.70%015%0.149CC..  trans-82.7141.9-174.4-62.6-69.8000112P824 P825 P856 T860 G861 V864 I881 V883 Y906 F970 T1125P824-F858 HydrophobicContact CB-CE1 3.77Å; P824-F858 HydrophobicContact CB-CZ 4.13Å; P825-F858 HydrophobicContact CG-CD1 3.72Å; P825-F858 HydrophobicContact CG-CE1 4.34Å; P856-F858 HydrophobicContact CB-CE1 4.41Å; P856-F858 HydrophobicContact CB-CE2 4.01Å; P856-F858 HydrophobicContact CB-CZ 3.93Å; F858-T860 PolarHBondContact O-N 2.63Å; F858-T860 VanDerWaalsContact O-N 3.12Å; F858-G861 PolarHBondContact O-N 3.06Å; F858-G861 VanDerWaalsContact O-N 3.1Å; F858-V864 HydrophobicContact CD2-CG2 4.46Å; F858-V864 HydrophobicContact CE2-CG2 3.94Å; F858-I881 HydrophobicContact CE2-CD1 4.32Å; F858-I881 HydrophobicContact CZ-CD1 4.25Å; F858-V883 HydrophobicContact CD2-CG1 4.44Å; F858-V883 HydrophobicContact CE2-CG1 4.29Å; F858-V883 HydrophobicContact CE2-CG2 3.87Å; F858-V883 HydrophobicContact CZ-CG2 4.23Å; F858-Y906 HydrophobicContact CB-CD2 4.46Å; F858-Y906 HydrophobicContact CB-CG 4.33Å; F858-Y906 VanDerWaalsContact CD1-CB 3.43Å; F858-Y906 AromaticContact CD1-CD1 3.46Å; F858-Y906 HydrophobicContact CD1-CD1 3.46Å; F858-Y906 VanDerWaalsContact CD1-CD1 3.46Å; F858-Y906 HydrophobicContact CD1-CD2 4.14Å; F858-Y906 HydrophobicContact CD1-CE1 4.21Å; F858-Y906 AromaticContact CD1-CG 3.41Å; F858-Y906 HydrophobicContact CD1-CG 3.41Å; F858-Y906 VanDerWaalsContact CD1-CG 3.41Å; F858-Y906 AromaticContact CE1-CD1 3.6Å; F858-Y906 HydrophobicContact CE1-CD1 3.6Å; F858-Y906 HydrophobicContact CE1-CE1 4.38Å; F858-Y906 AromaticContact CE1-CG 3.97Å; F858-Y906 HydrophobicContact CE1-CG 3.97Å; F858-Y906 HydrophobicContact CG-CG 4.09Å; F858-F970 HydrophobicContact CE1-CD2 4.12Å; F858-F970 HydrophobicContact CE1-CE2 4.17Å; F858-F970 HydrophobicContact CE1-CG 4.49Å; F858-F970 HydrophobicContact CZ-CD2 4.21Å; F858-F970 HydrophobicContact CZ-CG 4.17Å; F858-T1125 WeakPolarHBondContact CB-OG1 3.2Å; F858-T1125 HydrophobicContact CD2-CG2 4.08Å; F858-T1125 PolarHBondContact N-OG1 2.96Å
859P95Very high91.5Very high11 Ų1125 Ų257%0.07114%0.14CC..THydrogen-bonded Turntrans-60.1-24.8177.121.4-32.2000113.9S736 F737 Y906 R1124S736-P859 VanDerWaalsContact O-CB 3.22Å; S736-P859 WeakPolarHBondContact O-CB 3.44Å; F737-P859 WeakPolarHBondContact O-CG 3.47Å; P859-Y906 HydrophobicContact CG-CD2 3.88Å; P859-Y906 HydrophobicContact CG-CE2 3.52Å; P859-R1124 PolarHBondContact O-NH1 2.75Å; P859-R1124 VanDerWaalsContact O-NH1 3.17Å
860T94.2Very high91.4Very high31 Ų3125 Ų2519%0.1914%0.14CC..THydrogen-bonded Turntrans-90.31-179.558.10000114.2F737 F858 L904 Y906F737-T860 HydrophobicContact CB-CG2 4.12Å; F858-T860 PolarHBondContact O-N 2.63Å; F858-T860 VanDerWaalsContact O-N 3.12Å; T860-L904 PolarHBondContact OG1-O 2.99Å; T860-Y906 HydrophobicContact CG2-CD2 4.35Å; T860-Y906 WeakPolarHBondContact OG1-CA 3.42Å
861G93.5Very high91.3Very high2 Ų229.1 Ų29.12%0.02115%0.153CC..  trans73-131.5-173.700000112.1F858 T1125F858-G861 PolarHBondContact O-N 3.06Å; F858-G861 VanDerWaalsContact O-N 3.1Å; G861-T1125 PolarHBondContact O-OG1 3.39Å; G861-T1125 VanDerWaalsContact O-OG1 3.04Å
862G92.5Very high91.2Very high0 Ų030 Ų300%015%0.151CC..  trans85.3179-178.100000113.5E903 T1125 E1126G862-E903 PolarHBondContact N-OE2 3.38Å; G862-T1125 WeakPolarHBondContact O-CA 3.36Å; G862-E1126 PolarHBondContact O-N 3.19Å
863L93.3Very high91.2Very high21 Ų2128.4 Ų28.411%0.1114%0.14CC..EExtended strand (participates in β ladder)trans-111.4130.8-178.9-50.2175000109.1V883 R884 K886 E1126 L1128L863-V883 CarbonylContact O-C 3.51Å; L863-V883 WeakPolarHBondContact O-CA 3.4Å; L863-R884 HydrophobicContact CB-CB 4.31Å; L863-R884 PolarHBondContact N-O 3.03Å; L863-R884 PolarHBondContact O-N 3.08Å; L863-K886 HydrophobicContact CD2-CD 4.48Å; L863-K886 HydrophobicContact CD2-CG 4.44Å; L863-E1126 CarbonylContact C-O 3.5Å; L863-E1126 WeakPolarHBondContact CA-O 3.24Å; L863-E1126 HydrophobicContact CD2-CB 3.66Å; L863-E1126 HydrophobicContact CD2-CG 4.2Å; L863-L1128 HydrophobicContact CB-CD1 4.25Å; L863-L1128 HydrophobicContact CD1-CD1 4.1Å
864V92.5Very high91.2Very high1 Ų128.4 Ų28.41%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-100.9123.8169.41750000108.9F858 I870 I881 T882 V883 T1125 E1126 L1127 L1128F858-V864 HydrophobicContact CD2-CG2 4.46Å; F858-V864 HydrophobicContact CE2-CG2 3.94Å; V864-I870 HydrophobicContact CG1-CD1 4.07Å; V864-I881 HydrophobicContact CG1-CB 4.11Å; V864-I881 HydrophobicContact CG1-CD1 3.79Å; V864-I881 HydrophobicContact CG1-CG1 4.43Å; V864-I881 HydrophobicContact CG2-CD1 4.07Å; V864-T882 WeakPolarHBondContact CA-O 3.3Å; V864-V883 HydrophobicContact CG2-CG2 4.41Å; V864-T1125 HydrophobicContact CB-CG2 4.4Å; V864-T1125 HydrophobicContact CG2-CG2 3.52Å; V864-E1126 PolarHBondContact N-O 2.61Å; V864-L1127 HydrophobicContact CB-CD2 3.72Å; V864-L1127 HydrophobicContact CG1-CD2 4.26Å; V864-L1127 HydrophobicContact CG2-CD2 4.13Å; V864-L1128 PolarHBondContact O-N 3.15Å
865M85.2Confident91.3Very high30 Ų3030.6 Ų30.615%0.14815%0.147CC..EExtended strand (participates in β ladder)trans-95.2118.9-178.1-49.3-63.7-60.100110.4T882 R884 L1128 V1132M865-T882 HydrophobicContact CG-CG2 4.28Å; M865-T882 PolarHBondContact N-O 3.43Å; M865-R884 HydrophobicContact CG-CB 4.33Å; M865-R884 HydrophobicContact SD-CB 4.48Å; M865-L1128 HydrophobicContact CE-CB 4.49Å; M865-L1128 HydrophobicContact CE-CD1 4.17Å; M865-L1128 HydrophobicContact SD-CB 4.31Å; M865-L1128 HydrophobicContact SD-CD1 3.72Å; M865-V1132 HydrophobicContact CB-CG2 3.79Å; M865-V1132 HydrophobicContact CE-CG2 4.43Å; M865-V1132 HydrophobicContact CG-CG2 4.25Å
866G73.5Confident91.3Very high9 Ų934.1 Ų34.19%0.09317%0.169CC..  trans82.5140.9173.100000114.4L1128 G1130G866-L1128 PolarHBondContact N-O 2.63Å; G866-L1128 VanDerWaalsContact N-O 3.08Å; G866-G1130 WeakPolarHBondContact CA-O 3.46Å; G866-G1130 PolarHBondContact N-O 3.45Å
867K82.1Confident91.1Very high95 Ų9534.1 Ų34.141%0.41317%0.169SC..SBendtrans-95.9-17.2-179.9-68.2-175.5174-179.10114G869 I870 R871 V1129K867-G869 VanDerWaalsContact C-N 3.35Å; K867-G869 PolarHBondContact O-N 2.83Å; K867-I870 WeakPolarHBondContact O-CB 3.41Å; K867-I870 PolarHBondContact O-N 2.9Å; K867-I870 VanDerWaalsContact O-N 3.16Å; K867-R871 PolarHBondContact O-N 2.87Å; K867-V1129 HydrophobicContact CD-CG2 4.35Å
868S83.3Confident90.9Very high71 Ų7139.1 Ų39.150%0.49719%0.19SC..Hα-helixtrans-61.6-41-176.555.10000112.5I870 R871 R872S868-I870 PolarHBondContact O-N 3.03Å; S868-R871 PolarHBondContact O-N 3.45Å; S868-R872 WeakPolarHBondContact O-CB 3.25Å; S868-R872 PolarHBondContact O-N 3.29Å
869G87.1Confident90.7Very high11 Ų1139.7 Ų39.711%0.11320%0.197CC..Hα-helixtrans-63.6-37.7174.700000113.9K867 A873 S880K867-G869 VanDerWaalsContact C-N 3.35Å; K867-G869 PolarHBondContact O-N 2.83Å; G869-A873 WeakPolarHBondContact O-CB 3.45Å; G869-A873 PolarHBondContact O-N 3.16Å; G869-A873 VanDerWaalsContact O-N 3.13Å; G869-S880 WeakPolarHBondContact CA-O 3.39Å
870I92.5Very high90.5Very high1 Ų142.1 Ų42.11%0.00521%0.214CC..Hα-helixtrans-66.7-50.6176.1-57.5173.4000109.7M850 V864 K867 S868 R872 A873 Y874 I881 L1127M850-I870 HydrophobicContact CE-CG2 4.24Å; V864-I870 HydrophobicContact CG1-CD1 4.07Å; K867-I870 WeakPolarHBondContact O-CB 3.41Å; K867-I870 PolarHBondContact O-N 2.9Å; K867-I870 VanDerWaalsContact O-N 3.16Å; S868-I870 PolarHBondContact O-N 3.03Å; I870-R872 PolarHBondContact O-N 3.37Å; I870-A873 WeakPolarHBondContact O-CA 3.31Å; I870-A873 WeakPolarHBondContact O-CB 3.24Å; I870-A873 PolarHBondContact O-N 3.13Å; I870-A873 VanDerWaalsContact O-N 3.09Å; I870-Y874 HydrophobicContact CG2-CD2 3.78Å; I870-Y874 HydrophobicContact CG2-CE1 4.25Å; I870-Y874 HydrophobicContact CG2-CE2 3.36Å; I870-Y874 HydrophobicContact CG2-CG 4.37Å; I870-Y874 PolarHBondContact O-N 3.18Å; I870-I881 HydrophobicContact CG1-CG2 3.6Å; I870-L1127 HydrophobicContact CD1-CD2 4.48Å
871R91.3Very high90.4Very high115 Ų11540.8 Ų40.843%0.43421%0.205SC..Hα-helixtrans-55.6-50.9179.2-178.9178.3177.5162.38.1111.7M850 K867 S868 A873 Y874 E875M850-R871 HydrophobicContact CE-CB 4.04Å; M850-R871 HydrophobicContact SD-CB 3.82Å; M850-R871 HydrophobicContact SD-CG 3.96Å; K867-R871 PolarHBondContact O-N 2.87Å; S868-R871 PolarHBondContact O-N 3.45Å; R871-A873 VanDerWaalsContact C-N 3.26Å; R871-A873 PolarHBondContact O-N 3.48Å; R871-Y874 PolarHBondContact O-N 3.43Å; R871-Y874 VanDerWaalsContact O-N 3.15Å; R871-E875 HydrophobicContact CG-CG 4.44Å; R871-E875 WeakPolarHBondContact CG-OE1 3.14Å; R871-E875 IonicContact CZ-OE1 3.33Å; R871-E875 IonicContact NE-OE1 3.63Å; R871-E875 PolarHBondContact NE-OE1 2.93Å; R871-E875 IonicContact NH2-OE1 3.48Å; R871-E875 WeakPolarHBondContact O-CG 3.39Å; R871-E875 PolarHBondContact O-N 3.04Å
872R91.8Very high90.4Very high169 Ų16942.5 Ų42.564%0.63822%0.216SC*.Hα-helixtrans-58.7-40.1177.8-176.1-179.4173.8175.61.5111.8S868 I870 T876 K878S868-R872 WeakPolarHBondContact O-CB 3.25Å; S868-R872 PolarHBondContact O-N 3.29Å; I870-R872 PolarHBondContact O-N 3.37Å; R872-T876 WeakPolarHBondContact O-CB 3.13Å; R872-T876 PolarHBondContact O-N 3.48Å; R872-T876 PolarHBondContact O-OG1 2.94Å; R872-K878 CarbonylContact C-O 3.17Å
873A94.2Very high90.5Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-63.5-48.2175.600000111.4G869 I870 R871 E875 T876 G877 K878 F972 M974G869-A873 WeakPolarHBondContact O-CB 3.45Å; G869-A873 PolarHBondContact O-N 3.16Å; G869-A873 VanDerWaalsContact O-N 3.13Å; I870-A873 WeakPolarHBondContact O-CA 3.31Å; I870-A873 WeakPolarHBondContact O-CB 3.24Å; I870-A873 PolarHBondContact O-N 3.13Å; I870-A873 VanDerWaalsContact O-N 3.09Å; R871-A873 VanDerWaalsContact C-N 3.26Å; R871-A873 PolarHBondContact O-N 3.48Å; A873-E875 VanDerWaalsContact C-N 3.31Å; A873-E875 PolarHBondContact O-N 3.28Å; A873-T876 PolarHBondContact O-N 3.05Å; A873-G877 WeakPolarHBondContact O-CA 3.48Å; A873-G877 PolarHBondContact O-N 2.94Å; A873-K878 WeakPolarHBondContact CA-O 3.42Å; A873-F972 HydrophobicContact CB-CB 3.66Å; A873-F972 HydrophobicContact CB-CD1 3.48Å; A873-F972 VanDerWaalsContact CB-CD1 3.48Å; A873-F972 HydrophobicContact CB-CD2 3.92Å; A873-F972 HydrophobicContact CB-CE1 3.91Å; A873-F972 HydrophobicContact CB-CE2 4.33Å; A873-F972 HydrophobicContact CB-CG 3.45Å; A873-F972 VanDerWaalsContact CB-CG 3.45Å; A873-F972 HydrophobicContact CB-CZ 4.3Å; A873-M974 HydrophobicContact CB-CE 3.94Å; A873-M974 WeakPolarHBondContact O-CE 3.26Å
874Y96.6Very high90.5Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-66.2-28.5179.8-68.1-15.2000114H826 M850 I853 G855 I870 R871 F972 M974 N986 L987H826-Y874 PolarHBondContact CD2-OH 2.75Å; H826-Y874 AromaticContact NE2-CE1 3.58Å; H826-Y874 AromaticContact NE2-CZ 3.56Å; H826-Y874 PolarHBondContact NE2-OH 3.05Å; M850-Y874 HydrophobicContact CG-CD2 3.63Å; M850-Y874 HydrophobicContact CG-CE2 4.13Å; M850-Y874 HydrophobicContact SD-CD2 4.1Å; I853-Y874 HydrophobicContact CG2-CE2 4.41Å; I853-Y874 WeakPolarHBondContact O-CE2 3.31Å; G855-Y874 VanDerWaalsContact C-OH 3.27Å; G855-Y874 WeakPolarHBondContact CA-OH 3.39Å; I870-Y874 HydrophobicContact CG2-CD2 3.78Å; I870-Y874 HydrophobicContact CG2-CE1 4.25Å; I870-Y874 HydrophobicContact CG2-CE2 3.36Å; I870-Y874 HydrophobicContact CG2-CG 4.37Å; I870-Y874 PolarHBondContact O-N 3.18Å; R871-Y874 PolarHBondContact O-N 3.43Å; R871-Y874 VanDerWaalsContact O-N 3.15Å; Y874-F972 HydrophobicContact CE1-CE1 4.07Å; Y874-M974 HydrophobicContact CD1-CE 3.8Å; Y874-M974 HydrophobicContact CE1-CE 4.47Å; Y874-N986 VanDerWaalsContact O-CB 3.3Å; Y874-N986 WeakPolarHBondContact O-CB 3.42Å; Y874-L987 HydrophobicContact CD1-CB 4.04Å; Y874-L987 HydrophobicContact CD1-CD2 4.07Å; Y874-L987 HydrophobicContact CD1-CG 4.45Å; Y874-L987 HydrophobicContact CD2-CD2 3.68Å; Y874-L987 HydrophobicContact CE1-CD2 4.34Å; Y874-L987 HydrophobicContact CE2-CD2 3.98Å; Y874-L987 HydrophobicContact CG-CB 4.01Å; Y874-L987 HydrophobicContact CG-CD2 3.74Å; Y874-L987 HydrophobicContact CG-CG 4.43Å; Y874-L987 PolarHBondContact O-N 3.1Å
875E94.5Very high90.6Very high76 Ų7643.5 Ų43.536%0.35522%0.218SC..Hα-helixtrans-79.5-38.6176-70.9173.1175.900112.8T846 R871 A873 N986T846-E875 HydrophobicContact CG2-CG 3.75Å; R871-E875 HydrophobicContact CG-CG 4.44Å; R871-E875 WeakPolarHBondContact CG-OE1 3.14Å; R871-E875 IonicContact CZ-OE1 3.33Å; R871-E875 IonicContact NE-OE1 3.63Å; R871-E875 PolarHBondContact NE-OE1 2.93Å; R871-E875 IonicContact NH2-OE1 3.48Å; R871-E875 WeakPolarHBondContact O-CG 3.39Å; R871-E875 PolarHBondContact O-N 3.04Å; A873-E875 VanDerWaalsContact C-N 3.31Å; A873-E875 PolarHBondContact O-N 3.28Å; E875-N986 VanDerWaalsContact O-CB 3.25Å; E875-N986 WeakPolarHBondContact O-CB 3.16Å
876T93.5Very high91.1Very high74 Ų7445.3 Ų45.345%0.45423%0.225SC..Hα-helixtrans-115.2-9.4-168.369.90000115.1R872 A873 K878 I984R872-T876 WeakPolarHBondContact O-CB 3.13Å; R872-T876 PolarHBondContact O-N 3.48Å; R872-T876 PolarHBondContact O-OG1 2.94Å; A873-T876 PolarHBondContact O-N 3.05Å; T876-K878 PolarHBondContact O-N 3.07Å; T876-K878 PolarHBondContact OG1-N 3.17Å; T876-K878 PolarHBondContact OG1-O 2.88Å; T876-I984 WeakPolarHBondContact O-CG2 3.44Å
877G93.1Very high92Very high0 Ų046.4 Ų46.40%023%0.229CC..SBendtrans77.6-4-168.700000114.5A873 M974 L985A873-G877 WeakPolarHBondContact O-CA 3.48Å; A873-G877 PolarHBondContact O-N 2.94Å; G877-M974 PolarHBondContact O-N 3.06Å; G877-L985 WeakPolarHBondContact CA-O 3.31Å
878K93.7Very high92.6Very high104 Ų10446.4 Ų46.445%0.45223%0.23SC..EExtended strand (participates in β ladder)trans-132.1136.4179.8-73.6-179.3173.5170.70112.2R872 A873 T876 F972 I984R872-K878 CarbonylContact C-O 3.17Å; A873-K878 WeakPolarHBondContact CA-O 3.42Å; T876-K878 PolarHBondContact O-N 3.07Å; T876-K878 PolarHBondContact OG1-N 3.17Å; T876-K878 PolarHBondContact OG1-O 2.88Å; K878-F972 WeakPolarHBondContact CA-O 3.39Å; K878-I984 HydrophobicContact CD-CD1 4.46Å; K878-I984 VanDerWaalsContact CE-CD1 3.48Å; K878-I984 HydrophobicContact CG-CG2 4.46Å
879G90.5Very high93Very high13 Ų1346.8 Ų46.813%0.13423%0.226CC..EExtended strand (participates in β ladder)trans-175.3173.217800000111.1S971 F972G879-S971 CarbonylContact O-C 2.86Å; G879-S971 WeakPolarHBondContact O-CA 3.38Å; G879-F972 PolarHBondContact N-O 3.35Å; G879-F972 PolarHBondContact O-N 3.25Å
880S92Very high93.2Very high61 Ų6149 Ų4943%0.42723%0.233SC..EExtended strand (participates in β ladder)trans-135.6136.8175.6-170.20000109G869 F970G869-S880 WeakPolarHBondContact CA-O 3.39Å; S880-F970 WeakPolarHBondContact CA-O 3.41Å
881I92.3Very high93Very high3 Ų356.2 Ų56.22%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-123.2152.917561.6171.1000109.4P856 F858 V864 I870 V883 S969 F970 F972P856-I881 HydrophobicContact CG-CD1 4.09Å; F858-I881 HydrophobicContact CE2-CD1 4.32Å; F858-I881 HydrophobicContact CZ-CD1 4.25Å; V864-I881 HydrophobicContact CG1-CB 4.11Å; V864-I881 HydrophobicContact CG1-CD1 3.79Å; V864-I881 HydrophobicContact CG1-CG1 4.43Å; V864-I881 HydrophobicContact CG2-CD1 4.07Å; I870-I881 HydrophobicContact CG1-CG2 3.6Å; I881-V883 HydrophobicContact CD1-CG2 4.11Å; I881-V883 HydrophobicContact CG1-CG2 4.19Å; I881-S969 CarbonylContact O-C 3.57Å; I881-S969 VanDerWaalsContact O-CA 3.29Å; I881-S969 WeakPolarHBondContact O-CA 3.33Å; I881-F970 HydrophobicContact CD1-CB 4.33Å; I881-F970 HydrophobicContact CG1-CB 3.86Å; I881-F970 PolarHBondContact N-O 2.7Å; I881-F970 PolarHBondContact O-N 3.33Å; I881-F972 HydrophobicContact CB-CE2 4.35Å; I881-F972 HydrophobicContact CD1-CE2 3.69Å; I881-F972 HydrophobicContact CD1-CZ 4.24Å; I881-F972 HydrophobicContact CG1-CD2 4.48Å; I881-F972 HydrophobicContact CG1-CE2 3.77Å; I881-F972 HydrophobicContact CG2-CD2 4.5Å; I881-F972 HydrophobicContact CG2-CE2 3.73Å
882T92.5Very high92.7Very high39 Ų3952.5 Ų52.524%0.23925%0.254CS..EExtended strand (participates in β ladder)trans-94.2123.7172.4-60.30000108.9V864 M865 Q967V864-T882 WeakPolarHBondContact CA-O 3.3Å; M865-T882 HydrophobicContact CG-CG2 4.28Å; M865-T882 PolarHBondContact N-O 3.43Å; T882-Q967 HydrophobicContact CG2-CG 3.38Å
883V93.9Very high92.3Very high2 Ų255.2 Ų55.21%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-108.4123.3175.9-1690000108.3F858 L863 V864 I881 P905 Q967 T968 F970F858-V883 HydrophobicContact CD2-CG1 4.44Å; F858-V883 HydrophobicContact CE2-CG1 4.29Å; F858-V883 HydrophobicContact CE2-CG2 3.87Å; F858-V883 HydrophobicContact CZ-CG2 4.23Å; L863-V883 CarbonylContact O-C 3.51Å; L863-V883 WeakPolarHBondContact O-CA 3.4Å; V864-V883 HydrophobicContact CG2-CG2 4.41Å; I881-V883 HydrophobicContact CD1-CG2 4.11Å; I881-V883 HydrophobicContact CG1-CG2 4.19Å; V883-P905 HydrophobicContact CB-CB 4.08Å; V883-P905 HydrophobicContact CG1-CB 3.76Å; V883-P905 HydrophobicContact CG1-CG 4.47Å; V883-Q967 WeakPolarHBondContact O-CA 3.43Å; V883-T968 PolarHBondContact N-O 3.41Å; V883-T968 PolarHBondContact O-N 3.05Å; V883-F970 HydrophobicContact CG2-CB 3.87Å
884R94Very high91.8Very high41 Ų4159.1 Ų59.116%0.15529%0.292CS..EExtended strand (participates in β ladder)trans-118145.6-174.6-176-174.3-75.6-179.6-0.5110.1L863 M865 Y961 L966 Q967L863-R884 HydrophobicContact CB-CB 4.31Å; L863-R884 PolarHBondContact N-O 3.03Å; L863-R884 PolarHBondContact O-N 3.08Å; M865-R884 HydrophobicContact CG-CB 4.33Å; M865-R884 HydrophobicContact SD-CB 4.48Å; R884-Y961 HydrophobicContact CG-CD1 4.1Å; R884-Y961 HydrophobicContact CG-CE1 3.48Å; R884-Y961 VanDerWaalsContact CG-CE1 3.48Å; R884-L966 CarbonylContact C-O 3.29Å; R884-L966 WeakPolarHBondContact CA-O 3.48Å; R884-Q967 HydrophobicContact CB-CG 4.44Å; R884-Q967 VanDerWaalsContact CZ-OE1 3.26Å
885A95.7Very high91Very high0 Ų060.3 Ų60.30%030%0.304CS..  trans-63.9144.5172.900000111.3I887 V901 E903 L904 L966A885-I887 HydrophobicContact CB-CD1 4.07Å; A885-I887 HydrophobicContact CB-CG1 4.11Å; A885-V901 HydrophobicContact CB-CG1 4.01Å; A885-E903 VanDerWaalsContact CA-O 3.22Å; A885-E903 WeakPolarHBondContact CA-O 3.37Å; A885-E903 WeakPolarHBondContact CB-O 3.39Å; A885-L904 HydrophobicContact CB-CD2 4.47Å; A885-L966 HydrophobicContact CB-CB 4.24Å; A885-L966 HydrophobicContact CB-CD2 3.62Å; A885-L966 WeakPolarHBondContact CB-O 3.29Å; A885-L966 PolarHBondContact N-O 2.88Å
886K94.6Very high90.6Very high67 Ų6759.8 Ų59.829%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-82.8127.2169.9-164.5165.4-176.4148.10108.7L863 T902 E903 E1126L863-K886 HydrophobicContact CD2-CD 4.48Å; L863-K886 HydrophobicContact CD2-CG 4.44Å; K886-T902 PolarHBondContact O-N 2.84Å; K886-T902 PolarHBondContact O-OG1 3.32Å; K886-E903 HydrophobicContact CB-CB 3.72Å; K886-E903 HydrophobicContact CB-CG 4.07Å; K886-E903 PolarHBondContact N-O 2.69Å; K886-E903 VanDerWaalsContact N-O 3.1Å; K886-E903 PolarHBondContact O-N 2.76Å; K886-E1126 IonicContact NZ-OE2 2.84Å; K886-E1126 PolarHBondContact NZ-OE2 2.8Å
887I93.4Very high90.5Very high32 Ų3259.5 Ų59.516%0.16429%0.294CS..EExtended strand (participates in β ladder)trans-138.3140.3-168-65.1-179.9000110A885 I899 I900 V901 L957 Y961 L966A885-I887 HydrophobicContact CB-CD1 4.07Å; A885-I887 HydrophobicContact CB-CG1 4.11Å; I887-I899 HydrophobicContact CG2-CG2 3.35Å; I887-I900 CarbonylContact C-O 3.47Å; I887-I900 VanDerWaalsContact CA-O 3.24Å; I887-I900 WeakPolarHBondContact CA-O 3.3Å; I887-V901 HydrophobicContact CD1-CG2 4.18Å; I887-V901 HydrophobicContact CG1-CB 4.43Å; I887-V901 HydrophobicContact CG1-CG1 4.3Å; I887-V901 HydrophobicContact CG1-CG2 4.15Å; I887-L957 HydrophobicContact CD1-CD1 3.39Å; I887-L957 HydrophobicContact CG2-CD1 4.27Å; I887-L957 HydrophobicContact CG2-CD2 4.05Å; I887-Y961 HydrophobicContact CD1-CE1 3.7Å; I887-L966 HydrophobicContact CD1-CD1 4.21Å; I887-L966 HydrophobicContact CD1-CD2 4.39Å
888E93.3Very high90.5Very high96 Ų9662 Ų6245%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-118.5137.9173.6-66.2174.3-178.300109.3I900E888-I900 HydrophobicContact CB-CB 4.49Å; E888-I900 PolarHBondContact N-O 3.23Å; E888-I900 PolarHBondContact O-N 3.13Å
889I92.4Very high90.6Very high78 Ų7857 Ų5740%0.428%0.282SS..EExtended strand (participates in β ladder)trans-104.1121.1171.1-61176.7000107.2E897 R898 A953 L957I889-E897 HydrophobicContact CG2-CB 4.41Å; I889-R898 WeakPolarHBondContact CA-O 3.44Å; I889-A953 HydrophobicContact CD1-CB 4.18Å; I889-A953 HydrophobicContact CG2-CB 3.94Å; I889-L957 HydrophobicContact CD1-CD2 4.39Å
890E91.2Very high90.8Very high59 Ų5956.4 Ų56.428%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-115.1135.1178-72.5178-16300110.4R898 I900 R942E890-R898 HydrophobicContact CB-CG 3.98Å; E890-R898 PolarHBondContact N-O 3.26Å; E890-R898 WeakPolarHBondContact O-CG 3.43Å; E890-R898 PolarHBondContact O-N 3.25Å; E890-R898 IonicContact OE2-CZ 3.26Å; E890-R898 IonicContact OE2-NE 2.85Å; E890-R898 PolarHBondContact OE2-NE 3.32Å; E890-R898 IonicContact OE2-NH2 3.65Å; E890-R898 PolarHBondContact OE2-NH2 3.41Å; E890-I900 HydrophobicContact CB-CD1 4.03Å; E890-I900 HydrophobicContact CG-CD1 3.56Å; E890-I900 WeakPolarHBondContact OE1-CD1 3.34Å; E890-I900 WeakPolarHBondContact OE2-CD1 3.33Å; E890-R942 IonicContact OE1-NH1 3.16Å; E890-R942 IonicContact OE1-NH2 3.7Å; E890-R942 PolarHBondContact OE1-NH2 3.43Å; E890-R942 IonicContact OE2-NH2 2.8Å
891E88.4Confident91Very high151 Ų15153.6 Ų53.671%0.70626%0.256SS*.EExtended strand (participates in β ladder)trans-86.6125.8170.5-163.5-176.7170.400110.5
892Q85.5Confident91.1Very high37 Ų3755 Ų5517%0.17327%0.265CS..  trans-79.5156.8175.7-64.8-172.1-11.100111.2N894 G895 K896 R898 E946Q892-N894 WeakPolarHBondContact CB-OD1 3.26Å; Q892-N894 PolarHBondContact O-N 3.4Å; Q892-N894 PolarHBondContact OE1-ND2 3.26Å; Q892-N894 VanDerWaalsContact OE1-ND2 3.14Å; Q892-N894 PolarHBondContact OE1-OD1 3.29Å; Q892-G895 PolarHBondContact O-N 3.08Å; Q892-K896 VanDerWaalsContact CB-O 3.29Å; Q892-K896 WeakPolarHBondContact CB-O 3.15Å; Q892-K896 PolarHBondContact N-O 3.32Å; Q892-R898 HydrophobicContact CG-CG 4.47Å; Q892-E946 PolarHBondContact NE2-OE1 3.18Å
893K83.6Confident91.2Very high227 Ų22755.8 Ų55.899%0.98727%0.265SS*.THydrogen-bonded Turntrans-55.6-16177.4-63.9-175.1179.3-178.80115.4
894N82.6Confident91.3Very high82 Ų8255.9 Ų55.944%0.43927%0.266SS..THydrogen-bonded Turntrans-94.52.5178.46110.9000113.1Q892 K896Q892-N894 WeakPolarHBondContact CB-OD1 3.26Å; Q892-N894 PolarHBondContact O-N 3.4Å; Q892-N894 PolarHBondContact OE1-ND2 3.26Å; Q892-N894 VanDerWaalsContact OE1-ND2 3.14Å; Q892-N894 PolarHBondContact OE1-OD1 3.29Å; N894-K896 WeakPolarHBondContact OD1-CB 3.5Å; N894-K896 PolarHBondContact OD1-N 3.1Å
895G80.7Confident91.3Very high25 Ų2554 Ų5426%0.25826%0.259SS..SBendtrans76.715.3-175.800000114.7Q892Q892-G895 PolarHBondContact O-N 3.08Å
896K85.2Confident91.2Very high64 Ų6455 Ų5528%0.27826%0.263SS..  trans-89.7143167.9-67.9-174177.2-172.90109.9Q892 N894 R949Q892-K896 VanDerWaalsContact CB-O 3.29Å; Q892-K896 WeakPolarHBondContact CB-O 3.15Å; Q892-K896 PolarHBondContact N-O 3.32Å; N894-K896 WeakPolarHBondContact OD1-CB 3.5Å; N894-K896 PolarHBondContact OD1-N 3.1Å; K896-R949 HydrophobicContact CG-CB 4.36Å
897E91.3Very high91Very high69 Ų6957 Ų5732%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-89.8152.9171.8-60.9-179.5148.900110.9I889 V947 A953I889-E897 HydrophobicContact CG2-CB 4.41Å; E897-V947 WeakPolarHBondContact O-CB 3Å; E897-V947 PolarHBondContact O-N 3.34Å; E897-A953 HydrophobicContact CB-CB 3.78Å; E897-A953 WeakPolarHBondContact OE2-CB 3Å; E897-A953 PolarHBondContact OE2-N 3.35Å
898R93.5Very high90.9Very high51 Ų5156.6 Ų56.619%0.19227%0.273CS..EExtended strand (participates in β ladder)trans-134142.9168.461.7174.6175.6-170.72.4110.8I889 E890 Q892 I900 V944 I945 E946I889-R898 WeakPolarHBondContact CA-O 3.44Å; E890-R898 HydrophobicContact CB-CG 3.98Å; E890-R898 PolarHBondContact N-O 3.26Å; E890-R898 WeakPolarHBondContact O-CG 3.43Å; E890-R898 PolarHBondContact O-N 3.25Å; E890-R898 IonicContact OE2-CZ 3.26Å; E890-R898 IonicContact OE2-NE 2.85Å; E890-R898 PolarHBondContact OE2-NE 3.32Å; E890-R898 IonicContact OE2-NH2 3.65Å; E890-R898 PolarHBondContact OE2-NH2 3.41Å; Q892-R898 HydrophobicContact CG-CG 4.47Å; R898-I900 HydrophobicContact CG-CD1 4.2Å; R898-I900 HydrophobicContact CG-CG1 4.36Å; R898-V944 HydrophobicContact CB-CG1 4.33Å; R898-I945 CarbonylContact C-O 3.58Å; R898-I945 VanDerWaalsContact CA-O 3.3Å; R898-I945 WeakPolarHBondContact CA-O 3.38Å; R898-E946 HydrophobicContact CB-CG 4.42Å
899I95.3Very high90.9Very high0 Ų054 Ų540%026%0.262CS..EExtended strand (participates in β ladder)trans-96.5127.1174.2-54.2165.4000107.5I887 I945 V947 A953 I956 L957 L960I887-I899 HydrophobicContact CG2-CG2 3.35Å; I899-I945 HydrophobicContact CB-CB 4.16Å; I899-I945 PolarHBondContact N-O 3.31Å; I899-I945 PolarHBondContact O-N 3.41Å; I899-V947 HydrophobicContact CD1-CG2 4.15Å; I899-V947 HydrophobicContact CG1-CG2 4.21Å; I899-A953 HydrophobicContact CD1-CB 4.38Å; I899-A953 WeakPolarHBondContact CD1-O 3.4Å; I899-A953 HydrophobicContact CG1-CB 3.91Å; I899-I956 HydrophobicContact CD1-CB 4.21Å; I899-I956 HydrophobicContact CD1-CG2 3.98Å; I899-L957 HydrophobicContact CD1-CB 4.01Å; I899-L957 HydrophobicContact CG2-CD1 4.15Å; I899-L960 HydrophobicContact CD1-CD1 4.41Å
900I95.9Very high91Very high0 Ų050.9 Ų50.90%025%0.246CC..EExtended strand (participates in β ladder)trans-118.7118.3-179.6-64.7155.2000109I887 E888 E890 R898 T902 R942 V943 V944I887-I900 CarbonylContact C-O 3.47Å; I887-I900 VanDerWaalsContact CA-O 3.24Å; I887-I900 WeakPolarHBondContact CA-O 3.3Å; E888-I900 HydrophobicContact CB-CB 4.49Å; E888-I900 PolarHBondContact N-O 3.23Å; E888-I900 PolarHBondContact O-N 3.13Å; E890-I900 HydrophobicContact CB-CD1 4.03Å; E890-I900 HydrophobicContact CG-CD1 3.56Å; E890-I900 WeakPolarHBondContact OE1-CD1 3.34Å; E890-I900 WeakPolarHBondContact OE2-CD1 3.33Å; R898-I900 HydrophobicContact CG-CD1 4.2Å; R898-I900 HydrophobicContact CG-CG1 4.36Å; I900-T902 HydrophobicContact CG2-CG2 4.04Å; I900-R942 HydrophobicContact CG2-CG 3.84Å; I900-V943 CarbonylContact C-O 3.29Å; I900-V943 WeakPolarHBondContact CA-O 3.43Å; I900-V944 HydrophobicContact CG1-CG2 4.32Å
901V95.8Very high91Very high3 Ų350.2 Ų50.22%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-92.3116.5175.8-170.30000109.1A885 I887 L904 R942 V943 L966A885-V901 HydrophobicContact CB-CG1 4.01Å; I887-V901 HydrophobicContact CD1-CG2 4.18Å; I887-V901 HydrophobicContact CG1-CB 4.43Å; I887-V901 HydrophobicContact CG1-CG1 4.3Å; I887-V901 HydrophobicContact CG1-CG2 4.15Å; V901-L904 HydrophobicContact CG1-CD2 3.76Å; V901-R942 WeakPolarHBondContact O-CA 3.41Å; V901-V943 HydrophobicContact CB-CB 4.12Å; V901-V943 HydrophobicContact CG2-CB 4.45Å; V901-V943 PolarHBondContact N-O 2.82Å; V901-V943 PolarHBondContact O-N 2.76Å; V901-L966 HydrophobicContact CB-CD2 4.48Å; V901-L966 HydrophobicContact CG1-CD2 3.76Å; V901-L966 HydrophobicContact CG2-CD2 3.88Å
902T95.1Very high91.2Very high33 Ų3349.7 Ų49.720%0.20225%0.246CC..EExtended strand (participates in β ladder)trans-102.7-30.2-17752.90000112.7K886 I900 M941K886-T902 PolarHBondContact O-N 2.84Å; K886-T902 PolarHBondContact O-OG1 3.32Å; I900-T902 HydrophobicContact CG2-CG2 4.04Å; T902-M941 WeakPolarHBondContact O-CB 3.09Å; T902-M941 VanDerWaalsContact O-CE 3.27Å; T902-M941 WeakPolarHBondContact O-CE 3.14Å
903E95.1Very high91.6Very high54 Ų5448.3 Ų48.325%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-137.1149177.2-59.8176.4-178.500111G862 A885 K886G862-E903 PolarHBondContact N-OE2 3.38Å; A885-E903 VanDerWaalsContact CA-O 3.22Å; A885-E903 WeakPolarHBondContact CA-O 3.37Å; A885-E903 WeakPolarHBondContact CB-O 3.39Å; K886-E903 HydrophobicContact CB-CB 3.72Å; K886-E903 HydrophobicContact CB-CG 4.07Å; K886-E903 PolarHBondContact N-O 2.69Å; K886-E903 VanDerWaalsContact N-O 3.1Å; K886-E903 PolarHBondContact O-N 2.76Å
904L94.7Very high92.1Very high4 Ų439.1 Ų39.12%0.02120%0.201CC..  trans-116.8151.7-178.2-73.8177.6000110.6T860 A885 V901 K910 L913 M941 L966T860-L904 PolarHBondContact OG1-O 2.99Å; A885-L904 HydrophobicContact CB-CD2 4.47Å; V901-L904 HydrophobicContact CG1-CD2 3.76Å; L904-K910 HydrophobicContact CD1-CB 3.83Å; L904-K910 HydrophobicContact CD1-CG 4.02Å; L904-L913 HydrophobicContact CD1-CD2 4.34Å; L904-L913 HydrophobicContact CD2-CD2 3.37Å; L904-M941 HydrophobicContact CB-CE 3.88Å; L904-M941 HydrophobicContact CD1-CE 4.06Å; L904-M941 HydrophobicContact CD1-SD 3.6Å; L904-M941 HydrophobicContact CG-CE 3.49Å; L904-M941 VanDerWaalsContact CG-CE 3.49Å; L904-M941 HydrophobicContact CG-SD 3.7Å; L904-M941 VanDerWaalsContact N-CE 3.26Å; L904-L966 HydrophobicContact CD2-CD2 3.92Å
905P94.6Very high92.7Very high1 Ų140.9 Ų40.91%0.00621%0.207CC..  trans-57.6150.4170.9-2334.3000112.1V883 V908 S965 L966 T968V883-P905 HydrophobicContact CB-CB 4.08Å; V883-P905 HydrophobicContact CG1-CB 3.76Å; V883-P905 HydrophobicContact CG1-CG 4.47Å; P905-V908 HydrophobicContact CB-CG2 3.79Å; P905-V908 HydrophobicContact CG-CG2 4.28Å; P905-V908 WeakPolarHBondContact O-CB 3.11Å; P905-V908 WeakPolarHBondContact O-CG2 3.27Å; P905-V908 PolarHBondContact O-N 3.36Å; P905-S965 WeakPolarHBondContact CG-O 3.34Å; P905-L966 WeakPolarHBondContact CG-O 3.46Å; P905-T968 HydrophobicContact CB-CG2 3.57Å; P905-T968 HydrophobicContact CG-CG2 4.24Å
906Y93.6Very high93.3Very high22 Ų2244.1 Ų44.19%0.08621%0.211CC..THydrogen-bonded Turntrans-58.3138.3-178-176.9-125.7000112.4S738 F858 P859 T860 V908 F970S738-Y906 PolarHBondContact O-OH 3.35Å; F858-Y906 HydrophobicContact CB-CD2 4.46Å; F858-Y906 HydrophobicContact CB-CG 4.33Å; F858-Y906 VanDerWaalsContact CD1-CB 3.43Å; F858-Y906 AromaticContact CD1-CD1 3.46Å; F858-Y906 HydrophobicContact CD1-CD1 3.46Å; F858-Y906 VanDerWaalsContact CD1-CD1 3.46Å; F858-Y906 HydrophobicContact CD1-CD2 4.14Å; F858-Y906 HydrophobicContact CD1-CE1 4.21Å; F858-Y906 AromaticContact CD1-CG 3.41Å; F858-Y906 HydrophobicContact CD1-CG 3.41Å; F858-Y906 VanDerWaalsContact CD1-CG 3.41Å; F858-Y906 AromaticContact CE1-CD1 3.6Å; F858-Y906 HydrophobicContact CE1-CD1 3.6Å; F858-Y906 HydrophobicContact CE1-CE1 4.38Å; F858-Y906 AromaticContact CE1-CG 3.97Å; F858-Y906 HydrophobicContact CE1-CG 3.97Å; F858-Y906 HydrophobicContact CG-CG 4.09Å; P859-Y906 HydrophobicContact CG-CD2 3.88Å; P859-Y906 HydrophobicContact CG-CE2 3.52Å; T860-Y906 HydrophobicContact CG2-CD2 4.35Å; T860-Y906 WeakPolarHBondContact OG1-CA 3.42Å; Y906-V908 PolarHBondContact O-N 3.19Å; Y906-F970 HydrophobicContact CD1-CD2 4.35Å; Y906-F970 AromaticContact CD1-CE2 3.96Å; Y906-F970 HydrophobicContact CD1-CE2 3.96Å; Y906-F970 HydrophobicContact CE1-CE2 4.29Å
907M89.3Confident93.8Very high110 Ų11041.1 Ų41.154%0.54220%0.198SC..THydrogen-bonded Turntrans62.415.5-175.7-58.2-168.6170.100116.3T813T813-M907 HydrophobicContact CG2-CE 3.52Å; T813-M907 HydrophobicContact CG2-SD 4.42Å
908V92.8Very high93.9Very high22 Ų2241 Ų4113%0.13321%0.205CC..  trans-83.9129.4171.7177.20000110.6P905 Y906 L913 T968P905-V908 HydrophobicContact CB-CG2 3.79Å; P905-V908 HydrophobicContact CG-CG2 4.28Å; P905-V908 WeakPolarHBondContact O-CB 3.11Å; P905-V908 WeakPolarHBondContact O-CG2 3.27Å; P905-V908 PolarHBondContact O-N 3.36Å; Y906-V908 PolarHBondContact O-N 3.19Å; V908-L913 HydrophobicContact CG1-CB 4.42Å; V908-L913 HydrophobicContact CG1-CD2 4.45Å; V908-T968 HydrophobicContact CG2-CG2 4.37Å
909N92.6Very high93.9Very high41 Ų4142.2 Ų42.222%0.21921%0.213CC..  trans-81.8121.7174.2176.9-63.1000110.2D754 G755 A911 K912 L913D754-N909 VanDerWaalsContact C-ND2 3.32Å; D754-N909 PolarHBondContact O-ND2 3.28Å; D754-N909 PolarHBondContact O-OD1 3.02Å; G755-N909 WeakPolarHBondContact CA-ND2 3.3Å; G755-N909 PolarHBondContact N-ND2 3.07Å; N909-A911 PolarHBondContact OD1-N 2.9Å; N909-K912 HydrophobicContact CB-CB 4.19Å; N909-K912 HydrophobicContact CB-CD 4.26Å; N909-K912 HydrophobicContact CB-CG 4.34Å; N909-K912 PolarHBondContact OD1-N 2.82Å; N909-L913 WeakPolarHBondContact O-CB 3.39Å; N909-L913 PolarHBondContact O-N 2.8Å; N909-L913 VanDerWaalsContact O-N 3.11Å
910K93.5Very high93.9Very high13 Ų1342.3 Ų42.36%0.05721%0.213CC..Hα-helixtrans-64.9-45.8-175.7-173.8179.960160.70112.5V753 D754 L904 K912 L913 I914 D934 S936 M941 V943V753-K910 HydrophobicContact CG1-CB 4.24Å; V753-K910 PolarHBondContact O-N 2.88Å; D754-K910 VanDerWaalsContact CG-CE 3.47Å; D754-K910 WeakPolarHBondContact OD1-CE 3.23Å; D754-K910 IonicContact OD1-NZ 3.03Å; D754-K910 PolarHBondContact OD1-NZ 3Å; D754-K910 IonicContact OD2-NZ 2.61Å; L904-K910 HydrophobicContact CD1-CB 3.83Å; L904-K910 HydrophobicContact CD1-CG 4.02Å; K910-K912 PolarHBondContact O-N 3.02Å; K910-L913 WeakPolarHBondContact O-CB 3.16Å; K910-L913 PolarHBondContact O-N 3.35Å; K910-I914 HydrophobicContact CG-CD1 4.02Å; K910-I914 WeakPolarHBondContact O-CG1 3.45Å; K910-I914 PolarHBondContact O-N 2.83Å; K910-D934 VanDerWaalsContact CE-OD2 3.22Å; K910-D934 WeakPolarHBondContact CE-OD2 3.47Å; K910-D934 IonicContact NZ-OD1 3.69Å; K910-D934 PolarHBondContact NZ-OD1 2.91Å; K910-D934 IonicContact NZ-OD2 2.79Å; K910-D934 PolarHBondContact NZ-OD2 3.36Å; K910-S936 PolarHBondContact NZ-OG 2.88Å; K910-M941 HydrophobicContact CD-CG 4.2Å; K910-M941 HydrophobicContact CD-SD 3.81Å; K910-M941 HydrophobicContact CG-SD 4.47Å; K910-V943 HydrophobicContact CD-CG2 3.99Å; K910-V943 HydrophobicContact CG-CG2 4.2Å
911A92.9Very high93.7Very high45 Ų4546 Ų4637%0.37223%0.231SC..Hα-helixtrans-62.2-45-178.800000112.5D754 N909 L913 I914 E915D754-A911 HydrophobicContact CB-CB 4.36Å; D754-A911 WeakPolarHBondContact O-CB 3.39Å; N909-A911 PolarHBondContact OD1-N 2.9Å; A911-L913 VanDerWaalsContact C-N 3.31Å; A911-L913 PolarHBondContact O-N 2.99Å; A911-I914 PolarHBondContact O-N 2.95Å; A911-E915 WeakPolarHBondContact O-CB 3.45Å; A911-E915 PolarHBondContact O-N 3.14Å
912K92.8Very high93.4Very high141 Ų14155.8 Ų55.861%0.61327%0.267SS*.Hα-helixtrans-64.7-34.6175.8-71.5-175178.1-1780112.5N909 K910 R916N909-K912 HydrophobicContact CB-CB 4.19Å; N909-K912 HydrophobicContact CB-CD 4.26Å; N909-K912 HydrophobicContact CB-CG 4.34Å; N909-K912 PolarHBondContact OD1-N 2.82Å; K910-K912 PolarHBondContact O-N 3.02Å; K912-R916 VanDerWaalsContact O-CB 3.31Å; K912-R916 WeakPolarHBondContact O-CB 3.24Å; K912-R916 PolarHBondContact O-N 2.85Å
913L93.8Very high93.3Very high8 Ų859 Ų594%0.04228%0.283CS..Hα-helixtrans-64.2-47174.717667.3000111L904 V908 N909 K910 A911 R916 I917 L966L904-L913 HydrophobicContact CD1-CD2 4.34Å; L904-L913 HydrophobicContact CD2-CD2 3.37Å; V908-L913 HydrophobicContact CG1-CB 4.42Å; V908-L913 HydrophobicContact CG1-CD2 4.45Å; N909-L913 WeakPolarHBondContact O-CB 3.39Å; N909-L913 PolarHBondContact O-N 2.8Å; N909-L913 VanDerWaalsContact O-N 3.11Å; K910-L913 WeakPolarHBondContact O-CB 3.16Å; K910-L913 PolarHBondContact O-N 3.35Å; A911-L913 VanDerWaalsContact C-N 3.31Å; A911-L913 PolarHBondContact O-N 2.99Å; L913-R916 WeakPolarHBondContact O-CB 3.14Å; L913-R916 PolarHBondContact O-N 2.97Å; L913-I917 HydrophobicContact CD1-CD1 4.37Å; L913-I917 HydrophobicContact CG-CD1 4.16Å; L913-I917 WeakPolarHBondContact O-CG1 3.3Å; L913-I917 PolarHBondContact O-N 2.99Å; L913-L966 HydrophobicContact CD1-CG 4.19Å; L913-L966 HydrophobicContact CD2-CD2 3.68Å; L913-L966 HydrophobicContact CD2-CG 4.15Å
914I94Very high93Very high34 Ų3463.7 Ų63.717%0.17430%0.303CS..Hα-helixtrans-62.7-45.2177.6-66.7170000110.6K910 A911 R916 I917 S918 L932 D934 V943K910-I914 HydrophobicContact CG-CD1 4.02Å; K910-I914 WeakPolarHBondContact O-CG1 3.45Å; K910-I914 PolarHBondContact O-N 2.83Å; A911-I914 PolarHBondContact O-N 2.95Å; I914-R916 VanDerWaalsContact C-N 3.28Å; I914-R916 PolarHBondContact O-N 3.22Å; I914-I917 PolarHBondContact O-N 2.97Å; I914-S918 PolarHBondContact O-N 3.32Å; I914-L932 HydrophobicContact CG2-CD2 3.79Å; I914-L932 HydrophobicContact CG2-CG 4.14Å; I914-L932 WeakPolarHBondContact O-CD2 3.19Å; I914-D934 HydrophobicContact CD1-CB 3.92Å; I914-V943 HydrophobicContact CD1-CG1 4.14Å; I914-V943 HydrophobicContact CD1-CG2 4.16Å; I914-V943 HydrophobicContact CG1-CG1 4.04Å
915E93.4Very high92.7Very high119 Ų11970 Ų7056%0.55633%0.326SS*.Hα-helixtrans-55.2-45.7173.8-176.4176.9-158.100110.9A911 I917 S918 E919A911-E915 WeakPolarHBondContact O-CB 3.45Å; A911-E915 PolarHBondContact O-N 3.14Å; E915-I917 PolarHBondContact O-N 2.99Å; E915-S918 WeakPolarHBondContact O-CB 3.34Å; E915-S918 PolarHBondContact O-N 3.05Å; E915-E919 WeakPolarHBondContact O-CG 3.44Å; E915-E919 PolarHBondContact O-N 2.8Å
916R94.9Very high92.4Very high92 Ų9270.1 Ų70.135%0.34733%0.327SS..Hα-helixtrans-63.7-41.3178.6-175.955.5175.2176.5-0.5113.2K912 L913 I914 S918 E919 L920 T964K912-R916 VanDerWaalsContact O-CB 3.31Å; K912-R916 WeakPolarHBondContact O-CB 3.24Å; K912-R916 PolarHBondContact O-N 2.85Å; L913-R916 WeakPolarHBondContact O-CB 3.14Å; L913-R916 PolarHBondContact O-N 2.97Å; I914-R916 VanDerWaalsContact C-N 3.28Å; I914-R916 PolarHBondContact O-N 3.22Å; R916-S918 VanDerWaalsContact C-N 3.31Å; R916-E919 WeakPolarHBondContact CD-OE2 3.43Å; R916-E919 IonicContact CZ-OE2 3.54Å; R916-E919 IonicContact NH1-OE2 3.63Å; R916-E919 PolarHBondContact NH1-OE2 3.22Å; R916-E919 PolarHBondContact O-N 2.92Å; R916-L920 HydrophobicContact CG-CD1 4.46Å; R916-L920 VanDerWaalsContact O-CG 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.37Å; R916-L920 PolarHBondContact O-N 3.1Å; R916-T964 HydrophobicContact CG-CG2 4.48Å
917I95.1Very high92.2Very high2 Ų274.3 Ų74.31%0.0135%0.347CS..Hα-helixtrans-63.4-42176.3-65.2168.2000109.9L913 I914 E915 L920 H921 I929 L932 I945 L960 T964L913-I917 HydrophobicContact CD1-CD1 4.37Å; L913-I917 HydrophobicContact CG-CD1 4.16Å; L913-I917 WeakPolarHBondContact O-CG1 3.3Å; L913-I917 PolarHBondContact O-N 2.99Å; I914-I917 PolarHBondContact O-N 2.97Å; E915-I917 PolarHBondContact O-N 2.99Å; I917-L920 PolarHBondContact O-N 3.03Å; I917-H921 PolarHBondContact O-N 3.48Å; I917-I929 HydrophobicContact CG2-CD1 3.88Å; I917-L932 HydrophobicContact CB-CD2 3.95Å; I917-L932 HydrophobicContact CG2-CD1 4.25Å; I917-L932 HydrophobicContact CG2-CD2 3.82Å; I917-I945 HydrophobicContact CD1-CD1 4.1Å; I917-L960 HydrophobicContact CG1-CD2 4.15Å; I917-L960 HydrophobicContact CG2-CD2 4.08Å; I917-T964 HydrophobicContact CG1-CG2 3.95Å
918S93.9Very high92.1Very high67 Ų6769.1 Ų69.147%0.46932%0.322SS..Hα-helixtrans-62.4-43.7176.5-1720000112.4I914 E915 R916 H921 R922I914-S918 PolarHBondContact O-N 3.32Å; E915-S918 WeakPolarHBondContact O-CB 3.34Å; E915-S918 PolarHBondContact O-N 3.05Å; R916-S918 VanDerWaalsContact C-N 3.31Å; S918-H921 PolarHBondContact O-N 2.66Å; S918-R922 VanDerWaalsContact O-CB 3.31Å; S918-R922 WeakPolarHBondContact O-CB 3.35Å; S918-R922 PolarHBondContact O-N 3.44Å
919E93Very high92.1Very high76 Ų7668.5 Ų68.536%0.35532%0.318SS..Hα-helixtrans-58.1-48.4172.5-73.2178.8168.500112E915 R916 H921 R922 D923E915-E919 WeakPolarHBondContact O-CG 3.44Å; E915-E919 PolarHBondContact O-N 2.8Å; R916-E919 WeakPolarHBondContact CD-OE2 3.43Å; R916-E919 IonicContact CZ-OE2 3.54Å; R916-E919 IonicContact NH1-OE2 3.63Å; R916-E919 PolarHBondContact NH1-OE2 3.22Å; R916-E919 PolarHBondContact O-N 2.92Å; E919-H921 VanDerWaalsContact C-N 3.3Å; E919-H921 PolarHBondContact O-N 3.31Å; E919-R922 PolarHBondContact O-N 2.9Å; E919-D923 WeakPolarHBondContact O-CB 3.39Å; E919-D923 PolarHBondContact O-N 2.96Å
920L94.3Very high92.1Very high1 Ų169.6 Ų69.61%0.00533%0.326CS..Hα-helixtrans-62.7-37-179.3-70.8174.7000112.6R916 I917 K924 R925 V926 M963 T964R916-L920 HydrophobicContact CG-CD1 4.46Å; R916-L920 VanDerWaalsContact O-CG 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.37Å; R916-L920 PolarHBondContact O-N 3.1Å; I917-L920 PolarHBondContact O-N 3.03Å; L920-K924 PolarHBondContact O-N 2.9Å; L920-R925 HydrophobicContact CD2-CB 4.01Å; L920-R925 PolarHBondContact O-N 2.89Å; L920-V926 HydrophobicContact CB-CB 4.48Å; L920-V926 HydrophobicContact CB-CG2 4.13Å; L920-V926 HydrophobicContact CD1-CG2 4.4Å; L920-V926 PolarHBondContact O-N 3.45Å; L920-M963 HydrophobicContact CD1-CB 3.72Å; L920-M963 HydrophobicContact CD2-CB 4.45Å; L920-M963 HydrophobicContact CD2-SD 4.4Å; L920-T964 HydrophobicContact CD1-CG2 3.49Å; L920-T964 VanDerWaalsContact CD1-CG2 3.49Å
921H92Very high92Very high78 Ų7871.7 Ų71.736%0.36134%0.338SS..Hα-helixtrans-67.4-47.5173.1177.462.1000111.6I917 S918 E919 D923 K924 I929I917-H921 PolarHBondContact O-N 3.48Å; S918-H921 PolarHBondContact O-N 2.66Å; E919-H921 VanDerWaalsContact C-N 3.3Å; E919-H921 PolarHBondContact O-N 3.31Å; H921-D923 VanDerWaalsContact C-N 3.33Å; H921-D923 PolarHBondContact O-N 2.87Å; H921-K924 PolarHBondContact O-N 3.43Å; H921-I929 PolarHBondContact CE1-O 3.33Å
922R91Very high92.1Very high208 Ų20871.4 Ų71.479%0.78533%0.33SS*.Hα-helixtrans-61.6-39.7179.7177.4179.8159.7-176.3-6.3112.5S918 E919 K924S918-R922 VanDerWaalsContact O-CB 3.31Å; S918-R922 WeakPolarHBondContact O-CB 3.35Å; S918-R922 PolarHBondContact O-N 3.44Å; E919-R922 PolarHBondContact O-N 2.9Å; R922-K924 PolarHBondContact O-N 3.45Å
923D92.1Very high92.1Very high101 Ų10168.8 Ų68.854%0.5432%0.316SS..THydrogen-bonded Turntrans-79.93.3177.8-69.1-11.5000112.7E919 H921 R925E919-D923 WeakPolarHBondContact O-CB 3.39Å; E919-D923 PolarHBondContact O-N 2.96Å; H921-D923 VanDerWaalsContact C-N 3.33Å; H921-D923 PolarHBondContact O-N 2.87Å; D923-R925 HydrophobicContact CB-CG 4.18Å; D923-R925 PolarHBondContact O-N 3.33Å
924K89.1Confident92.1Very high153 Ų15371.9 Ų71.967%0.66533%0.333SS*.THydrogen-bonded Turntrans5529.3-177.2-56.6-173.6177.2-169.70114.1L920 H921 R922 E927L920-K924 PolarHBondContact O-N 2.9Å; H921-K924 PolarHBondContact O-N 3.43Å; R922-K924 PolarHBondContact O-N 3.45Å; K924-E927 HydrophobicContact CB-CG 4.38Å
925R88.2Confident92Very high137 Ų13773.7 Ų73.752%0.51734%0.34SS..SBendtrans-80.8-27.8172.5-66.9-171.962-179-1.7111.9L920 D923 M963L920-R925 HydrophobicContact CD2-CB 4.01Å; L920-R925 PolarHBondContact O-N 2.89Å; D923-R925 HydrophobicContact CB-CG 4.18Å; D923-R925 PolarHBondContact O-N 3.33Å; R925-M963 HydrophobicContact CB-SD 4.48Å
926V88.8Confident91.8Very high3 Ų369.8 Ų69.82%0.01833%0.326CS..SBendtrans-128.6102.7171-178.10000108.1L920 I929 I956 N959 L960 M963L920-V926 HydrophobicContact CB-CB 4.48Å; L920-V926 HydrophobicContact CB-CG2 4.13Å; L920-V926 HydrophobicContact CD1-CG2 4.4Å; L920-V926 PolarHBondContact O-N 3.45Å; V926-I929 HydrophobicContact CG1-CD1 4.02Å; V926-I929 HydrophobicContact CG1-CG1 4.44Å; V926-I956 HydrophobicContact CG1-CG2 3.97Å; V926-N959 HydrophobicContact CG1-CB 4.5Å; V926-N959 HydrophobicContact CG2-CB 4.22Å; V926-L960 HydrophobicContact CG1-CD2 4.37Å; V926-M963 HydrophobicContact CG2-SD 4.18Å
927E87.7Confident91.5Very high110 Ų11068.8 Ų68.851%0.51433%0.334SS..  trans-87.9157.8176-62-159.1160.400111.4K924K924-E927 HydrophobicContact CB-CG 4.38Å
928G89Confident90.9Very high1 Ų181.1 Ų81.11%0.0138%0.38CS..  trans99.9-11175.700000115.6T930 V947 R948G928-T930 PolarHBondContact O-N 2.87Å; G928-V947 CarbonylContact O-C 3.55Å; G928-V947 WeakPolarHBondContact O-CA 3.29Å; G928-R948 WeakPolarHBondContact O-CB 3.16Å; G928-R948 PolarHBondContact O-N 3.13Å
929I92.3Very high90.4Very high9 Ų987.1 Ų87.15%0.04640%0.4CS..EExtended strand (participates in β ladder)trans-72.6125.7170.4-59.2173.8000108.9I917 H921 V926 I945 E946 I956 L960I917-I929 HydrophobicContact CG2-CD1 3.88Å; H921-I929 PolarHBondContact CE1-O 3.33Å; V926-I929 HydrophobicContact CG1-CD1 4.02Å; V926-I929 HydrophobicContact CG1-CG1 4.44Å; I929-I945 HydrophobicContact CB-CG2 4.35Å; I929-I945 HydrophobicContact CD1-CG2 4Å; I929-I945 HydrophobicContact CG1-CG2 3.86Å; I929-I945 HydrophobicContact CG2-CG2 3.69Å; I929-E946 CarbonylContact C-O 3.51Å; I929-I956 HydrophobicContact CD1-CG2 4.27Å; I929-I956 HydrophobicContact CG1-CD1 4.4Å; I929-I956 HydrophobicContact CG1-CG2 3.96Å; I929-L960 HydrophobicContact CD1-CD2 4.38Å
930T91.4Very high90.1Very high63 Ų6385.4 Ų85.439%0.38740%0.404SS..EExtended strand (participates in β ladder)trans-102.2-29.9177.455.90000113.5G928 E946 R948G928-T930 PolarHBondContact O-N 2.87Å; T930-E946 PolarHBondContact N-O 2.79Å; T930-E946 WeakPolarHBondContact OG1-CB 3.27Å; T930-E946 PolarHBondContact OG1-O 3.3Å; T930-R948 HydrophobicContact CG2-CB 3.71Å; T930-R948 HydrophobicContact CG2-CG 3.93Å
931D92.6Very high90Very high58 Ų5887.6 Ų87.631%0.3141%0.414SS..EExtended strand (participates in β ladder)trans-151.7151.5177.4-163.314.2000110.2R933 E946D931-R933 VanDerWaalsContact OD2-CD 3.31Å; D931-R933 WeakPolarHBondContact OD2-CD 3.42Å; D931-R933 WeakPolarHBondContact OD2-CG 3.3Å; D931-R933 IonicContact OD2-CZ 3.92Å; D931-R933 IonicContact OD2-NE 2.98Å; D931-R933 IonicContact OD2-NH1 2.69Å; D931-R933 PolarHBondContact OD2-NH1 2.9Å; D931-E946 HydrophobicContact CB-CB 4.01Å; D931-E946 HydrophobicContact CB-CG 4.15Å; D931-E946 PolarHBondContact O-N 3.05Å
932L93.9Very high90.1Very high39 Ų3986.9 Ų86.920%0.20441%0.408CS..EExtended strand (participates in β ladder)trans-139113.1177.8175.465.6000108.5I914 I917 V943 V944 I945I914-L932 HydrophobicContact CG2-CD2 3.79Å; I914-L932 HydrophobicContact CG2-CG 4.14Å; I914-L932 WeakPolarHBondContact O-CD2 3.19Å; I917-L932 HydrophobicContact CB-CD2 3.95Å; I917-L932 HydrophobicContact CG2-CD1 4.25Å; I917-L932 HydrophobicContact CG2-CD2 3.82Å; L932-V943 HydrophobicContact CD1-CG1 4.17Å; L932-V944 WeakPolarHBondContact CA-O 3.39Å; L932-I945 HydrophobicContact CD1-CD1 4.37Å; L932-I945 HydrophobicContact CD1-CG1 3.75Å
933R93.2Very high90.3Very high86 Ų8677.2 Ų77.233%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-130.6145.6-176.2-56.8-167.2-60.3-106.7-3.9111.7D931 E935 V944 E946D931-R933 VanDerWaalsContact OD2-CD 3.31Å; D931-R933 WeakPolarHBondContact OD2-CD 3.42Å; D931-R933 WeakPolarHBondContact OD2-CG 3.3Å; D931-R933 IonicContact OD2-CZ 3.92Å; D931-R933 IonicContact OD2-NE 2.98Å; D931-R933 IonicContact OD2-NH1 2.69Å; D931-R933 PolarHBondContact OD2-NH1 2.9Å; R933-E935 HydrophobicContact CB-CG 4.47Å; R933-E935 IonicContact CZ-OE1 3.92Å; R933-E935 IonicContact NE-OE1 3.67Å; R933-E935 PolarHBondContact NE-OE1 2.86Å; R933-E935 VanDerWaalsContact NE-OE1 3.17Å; R933-E935 IonicContact NH2-OE1 3.47Å; R933-E935 PolarHBondContact NH2-OE1 2.76Å; R933-E935 VanDerWaalsContact NH2-OE1 3.08Å; R933-V944 PolarHBondContact N-O 2.84Å; R933-V944 PolarHBondContact O-N 2.99Å; R933-E946 IonicContact CZ-OE1 2.84Å; R933-E946 IonicContact NH1-OE1 2.77Å; R933-E946 PolarHBondContact NH1-OE1 3.48Å; R933-E946 IonicContact NH2-OE1 3.89Å; R933-E946 PolarHBondContact NH2-OE1 3.29Å
934D93.3Very high90.4Very high72 Ų7272.4 Ų72.439%0.38535%0.347SS..EExtended strand (participates in β ladder)trans-100.2109166.8-172.68000109.4K910 I914 S936K910-D934 VanDerWaalsContact CE-OD2 3.22Å; K910-D934 WeakPolarHBondContact CE-OD2 3.47Å; K910-D934 IonicContact NZ-OD1 3.69Å; K910-D934 PolarHBondContact NZ-OD1 2.91Å; K910-D934 IonicContact NZ-OD2 2.79Å; K910-D934 PolarHBondContact NZ-OD2 3.36Å; I914-D934 HydrophobicContact CD1-CB 3.92Å; D934-S936 WeakPolarHBondContact OD1-CB 3.23Å; D934-S936 PolarHBondContact OD1-N 2.71Å; D934-S936 PolarHBondContact OD1-OG 2.89Å
935E92.8Very high90.7Very high72 Ų7265.1 Ų65.134%0.33632%0.315SS..  trans-104.117.5177.3-62.8178.1-173.500111R933 R942 V944R933-E935 HydrophobicContact CB-CG 4.47Å; R933-E935 IonicContact CZ-OE1 3.92Å; R933-E935 IonicContact NE-OE1 3.67Å; R933-E935 PolarHBondContact NE-OE1 2.86Å; R933-E935 VanDerWaalsContact NE-OE1 3.17Å; R933-E935 IonicContact NH2-OE1 3.47Å; R933-E935 PolarHBondContact NH2-OE1 2.76Å; R933-E935 VanDerWaalsContact NH2-OE1 3.08Å; E935-R942 CarbonylContact C-O 3.44Å; E935-R942 WeakPolarHBondContact CA-O 3.46Å; E935-R942 HydrophobicContact CB-CB 4.27Å; E935-R942 HydrophobicContact CB-CG 4.2Å; E935-R942 PolarHBondContact N-O 2.87Å; E935-R942 IonicContact OE2-NE 3.06Å; E935-R942 PolarHBondContact OE2-NE 2.93Å; E935-V944 HydrophobicContact CB-CG2 4.42Å; E935-V944 HydrophobicContact CG-CG2 4.11Å; E935-V944 WeakPolarHBondContact OE2-CG2 3.4Å
936S90.2Very high91Very high37 Ų3759.8 Ų59.826%0.25930%0.296SS..  trans-61.1135.3179.1-58.40000112K910 D934 R942K910-S936 PolarHBondContact NZ-OG 2.88Å; D934-S936 WeakPolarHBondContact OD1-CB 3.23Å; D934-S936 PolarHBondContact OD1-N 2.71Å; D934-S936 PolarHBondContact OD1-OG 2.89Å; S936-R942 PolarHBondContact N-O 3.16Å; S936-R942 PolarHBondContact OG-N 2.96Å; S936-R942 VanDerWaalsContact OG-N 3.16Å
937S88.1Confident91.2Very high72 Ų7259.7 Ų59.750%0.50330%0.296SS..BIsolated β-bridgetrans-137.7-169.9-176.385.10000111.7E939 G940S937-E939 PolarHBondContact O-N 2.9Å; S937-E939 PolarHBondContact OG-N 3.25Å; S937-E939 VanDerWaalsContact OG-N 3.1Å; S937-G940 PolarHBondContact N-O 3.12Å; S937-G940 PolarHBondContact O-N 2.89Å
938R82.2Confident91.3Very high261 Ų26159 Ų5999%0.98529%0.288SS*.THydrogen-bonded Turntrans-66.3-19.1172.4-69.7-179.5175.2162.2-1.2113.1
939E82.6Confident91.1Very high192 Ų19267.8 Ų67.890%0.89732%0.321SS*.THydrogen-bonded Turntrans-79.9-21.8179.4-63-179.2172.400112.4S937S937-E939 PolarHBondContact O-N 2.9Å; S937-E939 PolarHBondContact OG-N 3.25Å; S937-E939 VanDerWaalsContact OG-N 3.1Å
940G86.9Confident90.7Very high41 Ų4173 Ų7342%0.42335%0.349SS..BIsolated β-bridgetrans154.9176.3-177.700000112.3S937S937-G940 PolarHBondContact N-O 3.12Å; S937-G940 PolarHBondContact O-N 2.89Å
941M91.6Very high90.4Very high46 Ų4671.6 Ų71.623%0.22734%0.34CS..  trans-83.1138.5175.3176.3166.162.400110.5T902 L904 K910T902-M941 WeakPolarHBondContact O-CB 3.09Å; T902-M941 VanDerWaalsContact O-CE 3.27Å; T902-M941 WeakPolarHBondContact O-CE 3.14Å; L904-M941 HydrophobicContact CB-CE 3.88Å; L904-M941 HydrophobicContact CD1-CE 4.06Å; L904-M941 HydrophobicContact CD1-SD 3.6Å; L904-M941 HydrophobicContact CG-CE 3.49Å; L904-M941 VanDerWaalsContact CG-CE 3.49Å; L904-M941 HydrophobicContact CG-SD 3.7Å; L904-M941 VanDerWaalsContact N-CE 3.26Å; K910-M941 HydrophobicContact CD-CG 4.2Å; K910-M941 HydrophobicContact CD-SD 3.81Å; K910-M941 HydrophobicContact CG-SD 4.47Å
942R94.5Very high90.1Very high63 Ų6371.2 Ų71.224%0.23834%0.342CS..  trans-151.493.4179.3-172.2179.4177.484.2-0.4110.1E890 I900 V901 E935 S936 V944E890-R942 IonicContact OE1-NH1 3.16Å; E890-R942 IonicContact OE1-NH2 3.7Å; E890-R942 PolarHBondContact OE1-NH2 3.43Å; E890-R942 IonicContact OE2-NH2 2.8Å; I900-R942 HydrophobicContact CG2-CG 3.84Å; V901-R942 WeakPolarHBondContact O-CA 3.41Å; E935-R942 CarbonylContact C-O 3.44Å; E935-R942 WeakPolarHBondContact CA-O 3.46Å; E935-R942 HydrophobicContact CB-CB 4.27Å; E935-R942 HydrophobicContact CB-CG 4.2Å; E935-R942 PolarHBondContact N-O 2.87Å; E935-R942 IonicContact OE2-NE 3.06Å; E935-R942 PolarHBondContact OE2-NE 2.93Å; S936-R942 PolarHBondContact N-O 3.16Å; S936-R942 PolarHBondContact OG-N 2.96Å; S936-R942 VanDerWaalsContact OG-N 3.16Å; R942-V944 HydrophobicContact CG-CG2 4.05Å
943V94.7Very high89.9Confident5 Ų569.4 Ų69.43%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-98.3122.4172.2-175.90000108.7I900 V901 K910 I914 L932I900-V943 CarbonylContact C-O 3.29Å; I900-V943 WeakPolarHBondContact CA-O 3.43Å; V901-V943 HydrophobicContact CB-CB 4.12Å; V901-V943 HydrophobicContact CG2-CB 4.45Å; V901-V943 PolarHBondContact N-O 2.82Å; V901-V943 PolarHBondContact O-N 2.76Å; K910-V943 HydrophobicContact CD-CG2 3.99Å; K910-V943 HydrophobicContact CG-CG2 4.2Å; I914-V943 HydrophobicContact CD1-CG1 4.14Å; I914-V943 HydrophobicContact CD1-CG2 4.16Å; I914-V943 HydrophobicContact CG1-CG1 4.04Å; L932-V943 HydrophobicContact CD1-CG1 4.17Å
944V95.7Very high89.6Confident0 Ų067.9 Ų67.90%034%0.335CS..EExtended strand (participates in β ladder)trans-107.7126.5-173.6-175.70000110.3R898 I900 L932 R933 E935 R942 E946R898-V944 HydrophobicContact CB-CG1 4.33Å; I900-V944 HydrophobicContact CG1-CG2 4.32Å; L932-V944 WeakPolarHBondContact CA-O 3.39Å; R933-V944 PolarHBondContact N-O 2.84Å; R933-V944 PolarHBondContact O-N 2.99Å; E935-V944 HydrophobicContact CB-CG2 4.42Å; E935-V944 HydrophobicContact CG-CG2 4.11Å; E935-V944 WeakPolarHBondContact OE2-CG2 3.4Å; R942-V944 HydrophobicContact CG-CG2 4.05Å; V944-E946 HydrophobicContact CG1-CG 4.29Å
945I95.7Very high89.3Confident0 Ų067.4 Ų67.40%034%0.335CS..EExtended strand (participates in β ladder)trans-118.1108.3175.2-43.2-178.6000107.5R898 I899 I917 I929 L932 L960R898-I945 CarbonylContact C-O 3.58Å; R898-I945 VanDerWaalsContact CA-O 3.3Å; R898-I945 WeakPolarHBondContact CA-O 3.38Å; I899-I945 HydrophobicContact CB-CB 4.16Å; I899-I945 PolarHBondContact N-O 3.31Å; I899-I945 PolarHBondContact O-N 3.41Å; I917-I945 HydrophobicContact CD1-CD1 4.1Å; I929-I945 HydrophobicContact CB-CG2 4.35Å; I929-I945 HydrophobicContact CD1-CG2 4Å; I929-I945 HydrophobicContact CG1-CG2 3.86Å; I929-I945 HydrophobicContact CG2-CG2 3.69Å; L932-I945 HydrophobicContact CD1-CD1 4.37Å; L932-I945 HydrophobicContact CD1-CG1 3.75Å; I945-L960 HydrophobicContact CD1-CD1 3.53Å
946E93.9Very high89.2Confident26 Ų2664.1 Ų64.112%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-84.1136.3178.4-63.4-171.3-179.500110.4Q892 R898 I929 T930 D931 R933 V944Q892-E946 PolarHBondContact NE2-OE1 3.18Å; R898-E946 HydrophobicContact CB-CG 4.42Å; I929-E946 CarbonylContact C-O 3.51Å; T930-E946 PolarHBondContact N-O 2.79Å; T930-E946 WeakPolarHBondContact OG1-CB 3.27Å; T930-E946 PolarHBondContact OG1-O 3.3Å; D931-E946 HydrophobicContact CB-CB 4.01Å; D931-E946 HydrophobicContact CB-CG 4.15Å; D931-E946 PolarHBondContact O-N 3.05Å; R933-E946 IonicContact CZ-OE1 2.84Å; R933-E946 IonicContact NH1-OE1 2.77Å; R933-E946 PolarHBondContact NH1-OE1 3.48Å; R933-E946 IonicContact NH2-OE1 3.89Å; R933-E946 PolarHBondContact NH2-OE1 3.29Å; V944-E946 HydrophobicContact CG1-CG 4.29Å
947V92.6Very high89.4Confident1 Ų163.1 Ų63.11%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-107.4144.4-175.4-179.40000110.8E897 I899 G928 V951 A953 I956E897-V947 WeakPolarHBondContact O-CB 3Å; E897-V947 PolarHBondContact O-N 3.34Å; I899-V947 HydrophobicContact CD1-CG2 4.15Å; I899-V947 HydrophobicContact CG1-CG2 4.21Å; G928-V947 CarbonylContact O-C 3.55Å; G928-V947 WeakPolarHBondContact O-CA 3.29Å; V947-V951 HydrophobicContact CG1-CB 4.23Å; V947-V951 VanDerWaalsContact CG1-O 3.24Å; V947-V951 WeakPolarHBondContact CG1-O 3.39Å; V947-A953 HydrophobicContact CG2-CB 4.05Å; V947-I956 HydrophobicContact CB-CD1 4.24Å; V947-I956 HydrophobicContact CG1-CD1 3.46Å; V947-I956 VanDerWaalsContact CG1-CD1 3.46Å; V947-I956 HydrophobicContact CG2-CD1 3.93Å
948R90.5Very high89.4Confident96 Ų9661.5 Ų61.536%0.36230%0.297SS..  trans-70142.7175.3-154.3175.958.8-134.6-1.3109.6G928 T930 D950 V951G928-R948 WeakPolarHBondContact O-CB 3.16Å; G928-R948 PolarHBondContact O-N 3.13Å; T930-R948 HydrophobicContact CG2-CB 3.71Å; T930-R948 HydrophobicContact CG2-CG 3.93Å; R948-D950 WeakPolarHBondContact CB-OD1 3.42Å; R948-D950 VanDerWaalsContact CD-OD1 3.31Å; R948-D950 WeakPolarHBondContact CD-OD1 3.47Å; R948-D950 WeakPolarHBondContact CG-OD1 3.36Å; R948-D950 IonicContact CZ-OD1 3.3Å; R948-D950 IonicContact CZ-OD2 3.05Å; R948-D950 VanDerWaalsContact NE-CG 3.33Å; R948-D950 IonicContact NE-OD1 3.36Å; R948-D950 PolarHBondContact NE-OD1 2.99Å; R948-D950 IonicContact NE-OD2 2.88Å; R948-D950 PolarHBondContact NE-OD2 3.19Å; R948-D950 VanDerWaalsContact NE-OD2 3.13Å; R948-D950 IonicContact NH2-OD1 2.7Å; R948-D950 IonicContact NH2-OD2 3.41Å; R948-D950 PolarHBondContact NH2-OD2 3.42Å; R948-D950 PolarHBondContact O-N 3.15Å; R948-D950 VanDerWaalsContact O-N 3.12Å; R948-V951 PolarHBondContact O-N 3.11Å; R948-V951 VanDerWaalsContact O-O 3.12Å
949R84.6Confident89.8Confident185 Ų18551.7 Ų51.770%0.69826%0.264SS*.THydrogen-bonded Turntrans-62.6-23.4-169.3-166.7175.2-178.4-173.30.8115.3K896K896-R949 HydrophobicContact CG-CB 4.36Å
950D84.7Confident90.3Very high117 Ų11742.5 Ų42.563%0.62622%0.221SC*.THydrogen-bonded Turntrans-88.90.5178.859.3-52.2000113.6R948R948-D950 WeakPolarHBondContact CB-OD1 3.42Å; R948-D950 VanDerWaalsContact CD-OD1 3.31Å; R948-D950 WeakPolarHBondContact CD-OD1 3.47Å; R948-D950 WeakPolarHBondContact CG-OD1 3.36Å; R948-D950 IonicContact CZ-OD1 3.3Å; R948-D950 IonicContact CZ-OD2 3.05Å; R948-D950 VanDerWaalsContact NE-CG 3.33Å; R948-D950 IonicContact NE-OD1 3.36Å; R948-D950 PolarHBondContact NE-OD1 2.99Å; R948-D950 IonicContact NE-OD2 2.88Å; R948-D950 PolarHBondContact NE-OD2 3.19Å; R948-D950 VanDerWaalsContact NE-OD2 3.13Å; R948-D950 IonicContact NH2-OD1 2.7Å; R948-D950 IonicContact NH2-OD2 3.41Å; R948-D950 PolarHBondContact NH2-OD2 3.42Å; R948-D950 PolarHBondContact O-N 3.15Å; R948-D950 VanDerWaalsContact O-N 3.12Å
951V84.2Confident90.6Very high35 Ų3541.8 Ų41.821%0.21221%0.206CC..SBendtrans-125.1135.4-178.3-171.70000109.3V947 R948 I956V947-V951 HydrophobicContact CG1-CB 4.23Å; V947-V951 VanDerWaalsContact CG1-O 3.24Å; V947-V951 WeakPolarHBondContact CG1-O 3.39Å; R948-V951 PolarHBondContact O-N 3.11Å; R948-V951 VanDerWaalsContact O-O 3.12Å; V951-I956 HydrophobicContact CB-CD1 4.45Å; V951-I956 HydrophobicContact CG1-CD1 3.86Å; V951-I956 HydrophobicContact CG1-CG1 3.82Å
952S85.9Confident90.5Very high50 Ų5045.3 Ų45.335%0.3522%0.22SC..  trans-73.1134.2175.4169.90000111.7S954 V955 I956S952-S954 PolarHBondContact O-N 2.88Å; S952-S954 PolarHBondContact OG-N 2.92Å; S952-S954 PolarHBondContact OG-OG 2.79Å; S952-V955 PolarHBondContact O-N 3.46Å; S952-I956 PolarHBondContact O-N 3.46Å
953A89.1Confident90.4Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-60.9-30.6174.700000112.6I889 E897 I899 V947 I956 L957I889-A953 HydrophobicContact CD1-CB 4.18Å; I889-A953 HydrophobicContact CG2-CB 3.94Å; E897-A953 HydrophobicContact CB-CB 3.78Å; E897-A953 WeakPolarHBondContact OE2-CB 3Å; E897-A953 PolarHBondContact OE2-N 3.35Å; I899-A953 HydrophobicContact CD1-CB 4.38Å; I899-A953 WeakPolarHBondContact CD1-O 3.4Å; I899-A953 HydrophobicContact CG1-CB 3.91Å; V947-A953 HydrophobicContact CG2-CB 4.05Å; A953-I956 PolarHBondContact O-N 2.84Å; A953-L957 VanDerWaalsContact O-CB 3.24Å; A953-L957 WeakPolarHBondContact O-CB 3.44Å; A953-L957 PolarHBondContact O-N 3.4Å
954S88.2Confident90.4Very high54 Ų5445.6 Ų45.638%0.37823%0.225SC..Hα-helixtrans-66.4-38.3178.967.60000112.3S952 L957 N958S952-S954 PolarHBondContact O-N 2.88Å; S952-S954 PolarHBondContact OG-N 2.92Å; S952-S954 PolarHBondContact OG-OG 2.79Å; S954-L957 PolarHBondContact O-N 3.33Å; S954-N958 PolarHBondContact O-N 3.08Å; S954-N958 PolarHBondContact O-ND2 3.47Å
955V86.7Confident90.3Very high63 Ų6348.3 Ų48.338%0.38224%0.244SC..Hα-helixtrans-67.8-43.4177.6177.80000110.9S952 N959S952-V955 PolarHBondContact O-N 3.46Å; V955-N959 PolarHBondContact O-N 2.82Å; V955-N959 VanDerWaalsContact O-N 3.17Å; V955-N959 PolarHBondContact O-ND2 2.99Å
956I91.4Very high90.3Very high3 Ų348.3 Ų48.32%0.01524%0.244CC..Hα-helixtrans-62.9-46174.7-64.9-176.2000109.9I899 V926 I929 V947 V951 S952 A953 N958 N959 L960I899-I956 HydrophobicContact CD1-CB 4.21Å; I899-I956 HydrophobicContact CD1-CG2 3.98Å; V926-I956 HydrophobicContact CG1-CG2 3.97Å; I929-I956 HydrophobicContact CD1-CG2 4.27Å; I929-I956 HydrophobicContact CG1-CD1 4.4Å; I929-I956 HydrophobicContact CG1-CG2 3.96Å; V947-I956 HydrophobicContact CB-CD1 4.24Å; V947-I956 HydrophobicContact CG1-CD1 3.46Å; V947-I956 VanDerWaalsContact CG1-CD1 3.46Å; V947-I956 HydrophobicContact CG2-CD1 3.93Å; V951-I956 HydrophobicContact CB-CD1 4.45Å; V951-I956 HydrophobicContact CG1-CD1 3.86Å; V951-I956 HydrophobicContact CG1-CG1 3.82Å; S952-I956 PolarHBondContact O-N 3.46Å; A953-I956 PolarHBondContact O-N 2.84Å; I956-N958 PolarHBondContact O-N 2.8Å; I956-N959 WeakPolarHBondContact O-CB 3.23Å; I956-N959 PolarHBondContact O-N 3.33Å; I956-N959 VanDerWaalsContact O-N 3.16Å; I956-L960 HydrophobicContact CG2-CD1 3.98Å; I956-L960 HydrophobicContact CG2-CG 4.15Å; I956-L960 VanDerWaalsContact O-CG 3.31Å; I956-L960 WeakPolarHBondContact O-CG 3.42Å; I956-L960 PolarHBondContact O-N 3.47Å
957L92.6Very high90.3Very high16 Ų1649.4 Ų49.48%0.08425%0.249CC..Hα-helixtrans-58.3-45-179.9177.856.3000112.4I887 I889 I899 A953 S954 N959 L960 Y961I887-L957 HydrophobicContact CD1-CD1 3.39Å; I887-L957 HydrophobicContact CG2-CD1 4.27Å; I887-L957 HydrophobicContact CG2-CD2 4.05Å; I889-L957 HydrophobicContact CD1-CD2 4.39Å; I899-L957 HydrophobicContact CD1-CB 4.01Å; I899-L957 HydrophobicContact CG2-CD1 4.15Å; A953-L957 VanDerWaalsContact O-CB 3.24Å; A953-L957 WeakPolarHBondContact O-CB 3.44Å; A953-L957 PolarHBondContact O-N 3.4Å; S954-L957 PolarHBondContact O-N 3.33Å; L957-N959 VanDerWaalsContact C-N 3.33Å; L957-N959 PolarHBondContact O-N 2.92Å; L957-L960 CarbonylContact O-C 3.57Å; L957-L960 WeakPolarHBondContact O-CB 3.3Å; L957-L960 PolarHBondContact O-N 3.2Å; L957-L960 VanDerWaalsContact O-N 3.11Å; L957-Y961 HydrophobicContact CD1-CD1 4.36Å; L957-Y961 HydrophobicContact CD1-CD2 4.28Å; L957-Y961 HydrophobicContact CD1-CE1 3.89Å; L957-Y961 HydrophobicContact CD1-CE2 3.81Å; L957-Y961 HydrophobicContact CD2-CE2 3.96Å; L957-Y961 HydrophobicContact CG-CD2 4.09Å; L957-Y961 HydrophobicContact CG-CE2 3.58Å; L957-Y961 PolarHBondContact O-N 3.18Å
958N88.8Confident90.3Very high37 Ų3751.8 Ų51.820%0.19826%0.264CS..Hα-helixtrans-61.8-40.7176.7-76.8-24.8000112.3S954 I956 L960 Y961 K962S954-N958 PolarHBondContact O-N 3.08Å; S954-N958 PolarHBondContact O-ND2 3.47Å; I956-N958 PolarHBondContact O-N 2.8Å; N958-L960 VanDerWaalsContact C-N 3.34Å; N958-Y961 PolarHBondContact O-N 3.09Å; N958-K962 WeakPolarHBondContact O-CG 3.4Å; N958-K962 PolarHBondContact O-N 3.23Å
959N90.1Very high90.4Very high55 Ų5550.6 Ų50.629%0.29427%0.27SS..Hα-helixtrans-63.6-40.1172.8-77-51.4000111.9V926 V955 I956 L957 K962 M963V926-N959 HydrophobicContact CG1-CB 4.5Å; V926-N959 HydrophobicContact CG2-CB 4.22Å; V955-N959 PolarHBondContact O-N 2.82Å; V955-N959 VanDerWaalsContact O-N 3.17Å; V955-N959 PolarHBondContact O-ND2 2.99Å; I956-N959 WeakPolarHBondContact O-CB 3.23Å; I956-N959 PolarHBondContact O-N 3.33Å; I956-N959 VanDerWaalsContact O-N 3.16Å; L957-N959 VanDerWaalsContact C-N 3.33Å; L957-N959 PolarHBondContact O-N 2.92Å; N959-K962 PolarHBondContact O-N 2.72Å; N959-M963 WeakPolarHBondContact O-CB 3.34Å; N959-M963 WeakPolarHBondContact O-CG 3.47Å; N959-M963 PolarHBondContact O-N 3.01Å
960L94.4Very high90.8Very high0 Ų042.6 Ų42.60%024%0.24CC..Hα-helixtrans-65.2-41175.8-65.6176.7000111.8I899 I917 V926 I929 I945 I956 L957 N958 K962 M963 T964 L966I899-L960 HydrophobicContact CD1-CD1 4.41Å; I917-L960 HydrophobicContact CG1-CD2 4.15Å; I917-L960 HydrophobicContact CG2-CD2 4.08Å; V926-L960 HydrophobicContact CG1-CD2 4.37Å; I929-L960 HydrophobicContact CD1-CD2 4.38Å; I945-L960 HydrophobicContact CD1-CD1 3.53Å; I956-L960 HydrophobicContact CG2-CD1 3.98Å; I956-L960 HydrophobicContact CG2-CG 4.15Å; I956-L960 VanDerWaalsContact O-CG 3.31Å; I956-L960 WeakPolarHBondContact O-CG 3.42Å; I956-L960 PolarHBondContact O-N 3.47Å; L957-L960 CarbonylContact O-C 3.57Å; L957-L960 WeakPolarHBondContact O-CB 3.3Å; L957-L960 PolarHBondContact O-N 3.2Å; L957-L960 VanDerWaalsContact O-N 3.11Å; N958-L960 VanDerWaalsContact C-N 3.34Å; L960-K962 VanDerWaalsContact C-N 3.34Å; L960-K962 PolarHBondContact O-N 3.15Å; L960-M963 PolarHBondContact O-N 2.79Å; L960-T964 HydrophobicContact CD2-CG2 4.05Å; L960-T964 WeakPolarHBondContact O-CA 3.47Å; L960-T964 VanDerWaalsContact O-CB 3.27Å; L960-T964 WeakPolarHBondContact O-CB 3.2Å; L960-T964 WeakPolarHBondContact O-CG2 3.18Å; L960-T964 PolarHBondContact O-N 3.14Å; L960-T964 PolarHBondContact O-OG1 2.72Å; L960-L966 HydrophobicContact CB-CD1 3.9Å; L960-L966 HydrophobicContact CD1-CD1 4.33Å
961Y93.4Very high91.2Very high25 Ų2540 Ų4010%0.09823%0.232CC..Hα-helixtrans-60.5-42172.4-69.9-38.6000112.3R884 I887 L957 N958 L966 Q967R884-Y961 HydrophobicContact CG-CD1 4.1Å; R884-Y961 HydrophobicContact CG-CE1 3.48Å; R884-Y961 VanDerWaalsContact CG-CE1 3.48Å; I887-Y961 HydrophobicContact CD1-CE1 3.7Å; L957-Y961 HydrophobicContact CD1-CD1 4.36Å; L957-Y961 HydrophobicContact CD1-CD2 4.28Å; L957-Y961 HydrophobicContact CD1-CE1 3.89Å; L957-Y961 HydrophobicContact CD1-CE2 3.81Å; L957-Y961 HydrophobicContact CD2-CE2 3.96Å; L957-Y961 HydrophobicContact CG-CD2 4.09Å; L957-Y961 HydrophobicContact CG-CE2 3.58Å; L957-Y961 PolarHBondContact O-N 3.18Å; N958-Y961 PolarHBondContact O-N 3.09Å; Y961-L966 HydrophobicContact CD1-CB 3.86Å; Y961-L966 HydrophobicContact CE1-CB 4.18Å; Y961-Q967 HydrophobicContact CD1-CB 3.96Å; Y961-Q967 HydrophobicContact CG-CB 4.31Å
962K89.4Confident91.7Very high121 Ų12138.7 Ų38.753%0.52622%0.223SC..Hα-helixtrans-69-32.5178.8-72.8179.1178.7179.70112.8N958 N959 L960 L1135N958-K962 WeakPolarHBondContact O-CG 3.4Å; N958-K962 PolarHBondContact O-N 3.23Å; N959-K962 PolarHBondContact O-N 2.72Å; L960-K962 VanDerWaalsContact C-N 3.34Å; L960-K962 PolarHBondContact O-N 3.15Å; K962-L1135 PolarHBondContact NZ-O 3.3Å; K962-L1135 VanDerWaalsContact NZ-O 3.15Å
963M92.1Very high92.1Very high60 Ų6038 Ų3830%0.29622%0.216SC..Hα-helixtrans-113-4.3-168.4-58.9-166.4-168.100115.6L920 R925 V926 N959 L960L920-M963 HydrophobicContact CD1-CB 3.72Å; L920-M963 HydrophobicContact CD2-CB 4.45Å; L920-M963 HydrophobicContact CD2-SD 4.4Å; R925-M963 HydrophobicContact CB-SD 4.48Å; V926-M963 HydrophobicContact CG2-SD 4.18Å; N959-M963 WeakPolarHBondContact O-CB 3.34Å; N959-M963 WeakPolarHBondContact O-CG 3.47Å; N959-M963 PolarHBondContact O-N 3.01Å; L960-M963 PolarHBondContact O-N 2.79Å
964T94Very high92.4Very high13 Ų1338 Ų388%0.0822%0.216CC..SBendtrans-132.9173.1-176.478.10000112.4R916 I917 L920 L960 L966R916-T964 HydrophobicContact CG-CG2 4.48Å; I917-T964 HydrophobicContact CG1-CG2 3.95Å; L920-T964 HydrophobicContact CD1-CG2 3.49Å; L920-T964 VanDerWaalsContact CD1-CG2 3.49Å; L960-T964 HydrophobicContact CD2-CG2 4.05Å; L960-T964 WeakPolarHBondContact O-CA 3.47Å; L960-T964 VanDerWaalsContact O-CB 3.27Å; L960-T964 WeakPolarHBondContact O-CB 3.2Å; L960-T964 WeakPolarHBondContact O-CG2 3.18Å; L960-T964 PolarHBondContact O-N 3.14Å; L960-T964 PolarHBondContact O-OG1 2.72Å; T964-L966 PolarHBondContact O-N 3.32Å; T964-L966 PolarHBondContact OG1-N 2.91Å
965S94.6Very high92.7Very high57 Ų5736 Ų3640%0.39920%0.201SC..THydrogen-bonded Turntrans-80.811.9176.2-53.50000114P905 Q967P905-S965 WeakPolarHBondContact CG-O 3.34Å; S965-Q967 PolarHBondContact O-N 2.81Å
966L95.6Very high93.1Very high0 Ų033 Ų330%018%0.183CC..THydrogen-bonded Turntrans-62.2-24.7167.2-75.1176.7000111.7R884 A885 I887 V901 L904 P905 L913 L960 Y961 T964R884-L966 CarbonylContact C-O 3.29Å; R884-L966 WeakPolarHBondContact CA-O 3.48Å; A885-L966 HydrophobicContact CB-CB 4.24Å; A885-L966 HydrophobicContact CB-CD2 3.62Å; A885-L966 WeakPolarHBondContact CB-O 3.29Å; A885-L966 PolarHBondContact N-O 2.88Å; I887-L966 HydrophobicContact CD1-CD1 4.21Å; I887-L966 HydrophobicContact CD1-CD2 4.39Å; V901-L966 HydrophobicContact CB-CD2 4.48Å; V901-L966 HydrophobicContact CG1-CD2 3.76Å; V901-L966 HydrophobicContact CG2-CD2 3.88Å; L904-L966 HydrophobicContact CD2-CD2 3.92Å; P905-L966 WeakPolarHBondContact CG-O 3.46Å; L913-L966 HydrophobicContact CD1-CG 4.19Å; L913-L966 HydrophobicContact CD2-CD2 3.68Å; L913-L966 HydrophobicContact CD2-CG 4.15Å; L960-L966 HydrophobicContact CB-CD1 3.9Å; L960-L966 HydrophobicContact CD1-CD1 4.33Å; Y961-L966 HydrophobicContact CD1-CB 3.86Å; Y961-L966 HydrophobicContact CE1-CB 4.18Å; T964-L966 PolarHBondContact O-N 3.32Å; T964-L966 PolarHBondContact OG1-N 2.91Å
967Q93.8Very high93.1Very high50 Ų5033.3 Ų33.323%0.23418%0.184CC..EExtended strand (participates in β ladder)trans-128.7124.9166.9-174.9177.2-80.700108T882 V883 R884 Y961 S965T882-Q967 HydrophobicContact CG2-CG 3.38Å; V883-Q967 WeakPolarHBondContact O-CA 3.43Å; R884-Q967 HydrophobicContact CB-CG 4.44Å; R884-Q967 VanDerWaalsContact CZ-OE1 3.26Å; Y961-Q967 HydrophobicContact CD1-CB 3.96Å; Y961-Q967 HydrophobicContact CG-CB 4.31Å; S965-Q967 PolarHBondContact O-N 2.81Å
968T92.9Very high93Very high50 Ų5033.6 Ų33.631%0.30719%0.185SC..EExtended strand (participates in β ladder)trans-136.4164.6179-169.20000110.5V883 P905 V908V883-T968 PolarHBondContact N-O 3.41Å; V883-T968 PolarHBondContact O-N 3.05Å; P905-T968 HydrophobicContact CB-CG2 3.57Å; P905-T968 HydrophobicContact CG-CG2 4.24Å; V908-T968 HydrophobicContact CG2-CG2 4.37Å
969S92Very high92.9Very high71 Ų7140.7 Ų40.750%0.49721%0.214SC..EExtended strand (participates in β ladder)trans-98.3136.4172.963.90000110.4I881I881-S969 CarbonylContact O-C 3.57Å; I881-S969 VanDerWaalsContact O-CA 3.29Å; I881-S969 WeakPolarHBondContact O-CA 3.33Å
970F93.1Very high92.5Very high17 Ų1740 Ų408%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-105.5112.8167.8-172.7-80.7000108.7N822 P824 F858 S880 I881 V883 Y906 F972N822-F970 VanDerWaalsContact CG-CZ 3.46Å; N822-F970 VanDerWaalsContact ND2-CZ 3.35Å; N822-F970 WeakPolarHBondContact ND2-CZ 3.21Å; N822-F970 WeakPolarHBondContact OD1-CZ 3.42Å; P824-F970 HydrophobicContact CB-CD1 4.28Å; P824-F970 HydrophobicContact CB-CE1 3.57Å; P824-F970 HydrophobicContact CB-CE2 4.5Å; P824-F970 HydrophobicContact CB-CZ 3.68Å; P824-F970 HydrophobicContact CG-CD1 4.45Å; P824-F970 HydrophobicContact CG-CE1 3.77Å; P824-F970 HydrophobicContact CG-CZ 4.32Å; F858-F970 HydrophobicContact CE1-CD2 4.12Å; F858-F970 HydrophobicContact CE1-CE2 4.17Å; F858-F970 HydrophobicContact CE1-CG 4.49Å; F858-F970 HydrophobicContact CZ-CD2 4.21Å; F858-F970 HydrophobicContact CZ-CG 4.17Å; S880-F970 WeakPolarHBondContact CA-O 3.41Å; I881-F970 HydrophobicContact CD1-CB 4.33Å; I881-F970 HydrophobicContact CG1-CB 3.86Å; I881-F970 PolarHBondContact N-O 2.7Å; I881-F970 PolarHBondContact O-N 3.33Å; V883-F970 HydrophobicContact CG2-CB 3.87Å; Y906-F970 HydrophobicContact CD1-CD2 4.35Å; Y906-F970 AromaticContact CD1-CE2 3.96Å; Y906-F970 HydrophobicContact CD1-CE2 3.96Å; Y906-F970 HydrophobicContact CE1-CE2 4.29Å; F970-F972 HydrophobicContact CD1-CD2 4Å; F970-F972 HydrophobicContact CD1-CE2 4.22Å; F970-F972 HydrophobicContact CE1-CD2 4.37Å
971S93.1Very high91.9Very high64 Ų6443.5 Ų43.545%0.44824%0.241SC..EExtended strand (participates in β ladder)trans-91.8109179.2-62.60000110.7N822 G879N822-S971 WeakPolarHBondContact CB-O 3.38Å; N822-S971 PolarHBondContact ND2-O 2.99Å; G879-S971 CarbonylContact O-C 2.86Å; G879-S971 WeakPolarHBondContact O-CA 3.38Å
972F94.6Very high91.6Very high6 Ų643.4 Ų43.43%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-63.9132.3171.4-71.6-116.7000110.2N822 P824 P856 A873 Y874 K878 G879 I881 F970 M974N822-F972 WeakPolarHBondContact O-CA 3.39Å; P824-F972 HydrophobicContact CG-CD1 3.65Å; P824-F972 HydrophobicContact CG-CE1 3.23Å; P824-F972 HydrophobicContact CG-CE2 4.28Å; P824-F972 HydrophobicContact CG-CG 4.37Å; P824-F972 HydrophobicContact CG-CZ 3.61Å; P856-F972 HydrophobicContact CG-CE1 4.08Å; P856-F972 HydrophobicContact CG-CE2 4.26Å; P856-F972 HydrophobicContact CG-CZ 3.39Å; A873-F972 HydrophobicContact CB-CB 3.66Å; A873-F972 HydrophobicContact CB-CD1 3.48Å; A873-F972 VanDerWaalsContact CB-CD1 3.48Å; A873-F972 HydrophobicContact CB-CD2 3.92Å; A873-F972 HydrophobicContact CB-CE1 3.91Å; A873-F972 HydrophobicContact CB-CE2 4.33Å; A873-F972 HydrophobicContact CB-CG 3.45Å; A873-F972 VanDerWaalsContact CB-CG 3.45Å; A873-F972 HydrophobicContact CB-CZ 4.3Å; Y874-F972 HydrophobicContact CE1-CE1 4.07Å; K878-F972 WeakPolarHBondContact CA-O 3.39Å; G879-F972 PolarHBondContact N-O 3.35Å; G879-F972 PolarHBondContact O-N 3.25Å; I881-F972 HydrophobicContact CB-CE2 4.35Å; I881-F972 HydrophobicContact CD1-CE2 3.69Å; I881-F972 HydrophobicContact CD1-CZ 4.24Å; I881-F972 HydrophobicContact CG1-CD2 4.48Å; I881-F972 HydrophobicContact CG1-CE2 3.77Å; I881-F972 HydrophobicContact CG2-CD2 4.5Å; I881-F972 HydrophobicContact CG2-CE2 3.73Å; F970-F972 HydrophobicContact CD1-CD2 4Å; F970-F972 HydrophobicContact CD1-CE2 4.22Å; F970-F972 HydrophobicContact CE1-CD2 4.37Å; F972-M974 HydrophobicContact CD1-CE 3.84Å; F972-M974 HydrophobicContact CE1-CE 4.42Å
973N94.8Very high91.6Very high36 Ų3643.8 Ų43.819%0.19324%0.241CC..EExtended strand (participates in β ladder)trans-146.489.3166.7-175.613.3000107.9A820 T821 N822 L975A820-N973 PolarHBondContact O-ND2 3.37Å; T821-N973 WeakPolarHBondContact CA-O 3.32Å; T821-N973 PolarHBondContact OG1-O 3.08Å; N822-N973 HydrophobicContact CB-CB 4.47Å; N822-N973 PolarHBondContact N-O 3.07Å; N822-N973 PolarHBondContact O-N 2.98Å; N973-L975 PolarHBondContact O-N 2.92Å
974M95.7Very high91.7Very high0 Ų044.3 Ų44.30%025%0.245CC..  trans-80.863.3-171.5-61.2-165-116.500111.9I823 A873 Y874 G877 F972 I984 L985 I990I823-M974 HydrophobicContact CG1-CB 4.09Å; I823-M974 HydrophobicContact CG1-CG 4.03Å; A873-M974 HydrophobicContact CB-CE 3.94Å; A873-M974 WeakPolarHBondContact O-CE 3.26Å; Y874-M974 HydrophobicContact CD1-CE 3.8Å; Y874-M974 HydrophobicContact CE1-CE 4.47Å; G877-M974 PolarHBondContact O-N 3.06Å; F972-M974 HydrophobicContact CD1-CE 3.84Å; F972-M974 HydrophobicContact CE1-CE 4.42Å; M974-I984 WeakPolarHBondContact O-CA 3.37Å; M974-L985 VanDerWaalsContact CB-O 3.26Å; M974-L985 WeakPolarHBondContact CB-O 3.49Å; M974-L985 PolarHBondContact O-N 3.49Å; M974-I990 HydrophobicContact CB-CD1 4.28Å; M974-I990 HydrophobicContact SD-CD1 3.94Å
975L93.7Very high91.8Very high13 Ų1343.9 Ų43.97%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-95.7120.8179.2-173.879.4000110L675 M819 A820 T821 N973 P982 R983 I984L675-L975 HydrophobicContact CD1-CD2 3.66Å; L675-L975 HydrophobicContact CD1-CG 3.97Å; L675-L975 HydrophobicContact CD2-CD2 3.77Å; L675-L975 HydrophobicContact CD2-CG 4.34Å; L675-L975 HydrophobicContact CG-CD2 4.4Å; M819-L975 HydrophobicContact CB-CD2 3.73Å; M819-L975 HydrophobicContact CG-CD2 4.33Å; M819-L975 HydrophobicContact SD-CD2 4.16Å; A820-L975 WeakPolarHBondContact O-CB 3.19Å; A820-L975 VanDerWaalsContact O-CD2 3.25Å; A820-L975 WeakPolarHBondContact O-CD2 3.12Å; T821-L975 WeakPolarHBondContact CB-O 3.31Å; T821-L975 PolarHBondContact OG1-O 2.89Å; N973-L975 PolarHBondContact O-N 2.92Å; L975-P982 HydrophobicContact CD1-CB 4.33Å; L975-R983 WeakPolarHBondContact CA-O 3.48Å; L975-R983 VanDerWaalsContact CD1-C 3.48Å; L975-I984 HydrophobicContact CD1-CG1 3.72Å
976A94.2Very high91.8Very high0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-138.1167.4176.100000110.6P676 V678 L807 P982 R983 L985P676-A976 HydrophobicContact CG-CB 4.33Å; V678-A976 HydrophobicContact CB-CB 4.1Å; L807-A976 HydrophobicContact CD2-CB 4.29Å; A976-P982 WeakPolarHBondContact O-CA 3.31Å; A976-R983 PolarHBondContact N-O 3.14Å; A976-R983 PolarHBondContact O-N 3.07Å; A976-L985 HydrophobicContact CB-CD1 4.2Å
977I91.7Very high91.9Very high9 Ų942.7 Ų42.75%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-86117.3174.9-56.9166000108.1V671 L675 P676 V678V671-I977 HydrophobicContact CB-CD1 4.29Å; V671-I977 HydrophobicContact CG1-CD1 4.23Å; V671-I977 HydrophobicContact CG2-CD1 4.39Å; L675-I977 HydrophobicContact CB-CD1 4.07Å; L675-I977 HydrophobicContact CB-CG1 3.86Å; L675-I977 HydrophobicContact CD1-CG1 4.47Å; P676-I977 PolarHBondContact O-N 2.81Å; V678-I977 WeakPolarHBondContact CG1-O 3.3Å; V678-I977 PolarHBondContact N-O 3.41Å
978E92Very high92Very high22 Ų2241.9 Ų41.910%0.10323%0.227CC..EExtended strand (participates in β ladder)trans-111.5117.2171-175.2-168.6-111.500107.9V678 G980 V981 R983 N993V678-E978 HydrophobicContact CG1-CB 4.33Å; V678-E978 HydrophobicContact CG1-CG 4.45Å; E978-G980 PolarHBondContact O-N 2.95Å; E978-G980 VanDerWaalsContact O-N 3.17Å; E978-V981 PolarHBondContact N-O 3.37Å; E978-V981 PolarHBondContact O-N 2.93Å; E978-R983 WeakPolarHBondContact OE2-CD 3.31Å; E978-R983 IonicContact OE2-CZ 2.71Å; E978-R983 VanDerWaalsContact OE2-CZ 3.22Å; E978-R983 IonicContact OE2-NE 3.41Å; E978-R983 PolarHBondContact OE2-NE 3.41Å; E978-R983 IonicContact OE2-NH1 3.91Å; E978-R983 PolarHBondContact OE2-NH1 3.2Å; E978-N993 PolarHBondContact OE1-ND2 3.02Å; E978-N993 PolarHBondContact OE1-OD1 3.23Å
979K86.7Confident92.2Very high185 Ų18543 Ų4380%0.80423%0.228SC*.THydrogen-bonded Turntrans51.240.9178.5-59.6175.3-178.8175.70113.6V981K979-V981 VanDerWaalsContact C-N 3.34Å; K979-V981 PolarHBondContact O-N 3.49Å
980G81.3Confident92.4Very high40 Ų4039.8 Ų39.841%0.41221%0.206SC..THydrogen-bonded Turntrans84.9-3.6178.800000115.6E978E978-G980 PolarHBondContact O-N 2.95Å; E978-G980 VanDerWaalsContact O-N 3.17Å
981V81.6Confident92.6Very high75 Ų7539 Ų3946%0.45520%0.202SC..EExtended strand (participates in β ladder)trans-115132.7-178.1-174.40000110.7E978 K979 R983E978-V981 PolarHBondContact N-O 3.37Å; E978-V981 PolarHBondContact O-N 2.93Å; K979-V981 VanDerWaalsContact C-N 3.34Å; K979-V981 PolarHBondContact O-N 3.49Å; V981-R983 PolarHBondContact O-N 3.28Å
982P86.3Confident92.8Very high22 Ų2239.8 Ų39.814%0.14320%0.199CC..EExtended strand (participates in β ladder)trans-64.6124.1171.9-19.632.4000111.3I670 L675 M819 L975 A976I670-P982 HydrophobicContact CG2-CB 4.3Å; I670-P982 HydrophobicContact CG2-CG 3.38Å; L675-P982 HydrophobicContact CD1-CB 3.74Å; L675-P982 HydrophobicContact CD1-CG 4.12Å; M819-P982 HydrophobicContact CE-CB 4.36Å; M819-P982 HydrophobicContact CE-CG 4.45Å; M819-P982 HydrophobicContact SD-CB 3.75Å; M819-P982 HydrophobicContact SD-CG 4.04Å; L975-P982 HydrophobicContact CD1-CB 4.33Å; A976-P982 WeakPolarHBondContact O-CA 3.31Å
983R89.1Confident92.9Very high129 Ų12940.8 Ų40.849%0.48721%0.205SC..EExtended strand (participates in β ladder)trans-134.9141.1177-71.2-170178-177.85.6111.5L975 A976 E978 V981 L985L975-R983 WeakPolarHBondContact CA-O 3.48Å; L975-R983 VanDerWaalsContact CD1-C 3.48Å; A976-R983 PolarHBondContact N-O 3.14Å; A976-R983 PolarHBondContact O-N 3.07Å; E978-R983 WeakPolarHBondContact OE2-CD 3.31Å; E978-R983 IonicContact OE2-CZ 2.71Å; E978-R983 VanDerWaalsContact OE2-CZ 3.22Å; E978-R983 IonicContact OE2-NE 3.41Å; E978-R983 PolarHBondContact OE2-NE 3.41Å; E978-R983 IonicContact OE2-NH1 3.91Å; E978-R983 PolarHBondContact OE2-NH1 3.2Å; V981-R983 PolarHBondContact O-N 3.28Å; R983-L985 HydrophobicContact CB-CD2 3.93Å; R983-L985 HydrophobicContact CB-CG 4.36Å
984I94.2Very high93Very high72 Ų7239.3 Ų39.337%0.36920%0.196SC..EExtended strand (participates in β ladder)trans-79.5119.1167.6-62.2162.4000105.5T876 K878 M974 L975T876-I984 WeakPolarHBondContact O-CG2 3.44Å; K878-I984 HydrophobicContact CD-CD1 4.46Å; K878-I984 VanDerWaalsContact CE-CD1 3.48Å; K878-I984 HydrophobicContact CG-CG2 4.46Å; M974-I984 WeakPolarHBondContact O-CA 3.37Å; L975-I984 HydrophobicContact CD1-CG1 3.72Å
985L95.8Very high93Very high3 Ų340 Ų402%0.01620%0.2CC..  trans-112142.6-175.9-58172.6000109.3V678 G877 M974 A976 R983 Q989 I990V678-L985 HydrophobicContact CB-CD1 4.01Å; V678-L985 HydrophobicContact CG2-CD1 3.45Å; V678-L985 VanDerWaalsContact CG2-CD1 3.45Å; G877-L985 WeakPolarHBondContact CA-O 3.31Å; M974-L985 VanDerWaalsContact CB-O 3.26Å; M974-L985 WeakPolarHBondContact CB-O 3.49Å; M974-L985 PolarHBondContact O-N 3.49Å; A976-L985 HydrophobicContact CB-CD1 4.2Å; R983-L985 HydrophobicContact CB-CD2 3.93Å; R983-L985 HydrophobicContact CB-CG 4.36Å; L985-Q989 HydrophobicContact CB-CB 4.24Å; L985-Q989 HydrophobicContact CD2-CB 4.21Å; L985-I990 HydrophobicContact CB-CD1 4.26Å; L985-I990 HydrophobicContact CB-CG1 3.71Å; L985-I990 HydrophobicContact CD1-CG1 4.05Å
986N96Very high93.1Very high32 Ų3244.3 Ų44.317%0.17122%0.22CC..  trans-82.8174.4168.474.918.9000110.4Y874 E875 K988 Q989 I990Y874-N986 VanDerWaalsContact O-CB 3.3Å; Y874-N986 WeakPolarHBondContact O-CB 3.42Å; E875-N986 VanDerWaalsContact O-CB 3.25Å; E875-N986 WeakPolarHBondContact O-CB 3.16Å; N986-K988 PolarHBondContact O-N 2.95Å; N986-K988 PolarHBondContact OD1-N 3.12Å; N986-Q989 PolarHBondContact O-N 3Å; N986-Q989 WeakPolarHBondContact OD1-CB 3.44Å; N986-Q989 VanDerWaalsContact OD1-CG 3.22Å; N986-Q989 WeakPolarHBondContact OD1-CG 3.45Å; N986-Q989 PolarHBondContact OD1-N 3.33Å; N986-I990 WeakPolarHBondContact O-CG1 3.2Å; N986-I990 PolarHBondContact O-N 3.04Å
987L96.9Very high93.3Very high0 Ų044.7 Ų44.70%022%0.221CC..Hα-helixtrans-59.8-46.4-176.8177.562.7000111.6L808 L849 I853 Y874 Q989 I990 L991L808-L987 HydrophobicContact CD1-CD1 3.8Å; L808-L987 HydrophobicContact CD2-CD1 4.21Å; L849-L987 HydrophobicContact CB-CD2 4.34Å; I853-L987 HydrophobicContact CB-CD2 4.46Å; I853-L987 HydrophobicContact CD1-CD1 4.3Å; I853-L987 HydrophobicContact CD1-CD2 4.29Å; Y874-L987 HydrophobicContact CD1-CB 4.04Å; Y874-L987 HydrophobicContact CD1-CD2 4.07Å; Y874-L987 HydrophobicContact CD1-CG 4.45Å; Y874-L987 HydrophobicContact CD2-CD2 3.68Å; Y874-L987 HydrophobicContact CE1-CD2 4.34Å; Y874-L987 HydrophobicContact CE2-CD2 3.98Å; Y874-L987 HydrophobicContact CG-CB 4.01Å; Y874-L987 HydrophobicContact CG-CD2 3.74Å; Y874-L987 HydrophobicContact CG-CG 4.43Å; Y874-L987 PolarHBondContact O-N 3.1Å; L987-Q989 PolarHBondContact O-N 3Å; L987-I990 PolarHBondContact O-N 2.9Å; L987-L991 HydrophobicContact CD1-CD1 4.45Å; L987-L991 HydrophobicContact CD1-CG 4.5Å; L987-L991 HydrophobicContact CG-CD1 4.31Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 3.11Å
988K96.5Very high93.5Very high34 Ų3444.5 Ų44.515%0.14822%0.22CC..Hα-helixtrans-57.9-49.9179.9-178.6171.9178.8163.60111.7L838 P842 A844 L849 N986 I990 L991 E992L838-K988 HydrophobicContact CD1-CD 4.49Å; L838-K988 HydrophobicContact CD1-CG 4.24Å; P842-K988 WeakPolarHBondContact O-CE 3.37Å; P842-K988 PolarHBondContact O-NZ 2.86Å; A844-K988 PolarHBondContact O-NZ 3.42Å; A844-K988 VanDerWaalsContact O-NZ 3.07Å; L849-K988 HydrophobicContact CD1-CB 3.85Å; L849-K988 HydrophobicContact CD1-CG 4.3Å; N986-K988 PolarHBondContact O-N 2.95Å; N986-K988 PolarHBondContact OD1-N 3.12Å; K988-I990 VanDerWaalsContact C-N 3.29Å; K988-I990 PolarHBondContact O-N 3.32Å; K988-L991 PolarHBondContact O-N 3.16Å; K988-L991 VanDerWaalsContact O-N 3.08Å; K988-E992 WeakPolarHBondContact CE-OE1 3.42Å; K988-E992 HydrophobicContact CG-CG 4.24Å; K988-E992 WeakPolarHBondContact O-CG 3.45Å; K988-E992 PolarHBondContact O-N 3.17Å
989Q96.5Very high93.7Very high72 Ų7246.2 Ų46.234%0.33623%0.228SC..Hα-helixtrans-60.1-35.7179.5-73.7170-27.900113.1L985 N986 L987 N993L985-Q989 HydrophobicContact CB-CB 4.24Å; L985-Q989 HydrophobicContact CD2-CB 4.21Å; N986-Q989 PolarHBondContact O-N 3Å; N986-Q989 WeakPolarHBondContact OD1-CB 3.44Å; N986-Q989 VanDerWaalsContact OD1-CG 3.22Å; N986-Q989 WeakPolarHBondContact OD1-CG 3.45Å; N986-Q989 PolarHBondContact OD1-N 3.33Å; L987-Q989 PolarHBondContact O-N 3Å; Q989-N993 WeakPolarHBondContact O-CB 3.4Å; Q989-N993 PolarHBondContact O-N 3.34Å; Q989-N993 PolarHBondContact O-ND2 3.27Å
990I97.4Very high94.2Very high5 Ų541 Ų413%0.02621%0.208CC..Hα-helixtrans-65.4-45.6175.1-68170.8000110.4V678 L807 L808 M974 L985 N986 L987 K988 Y994V678-I990 HydrophobicContact CG2-CG1 4.47Å; L807-I990 HydrophobicContact CD2-CD1 4.37Å; L807-I990 HydrophobicContact CD2-CG1 4.43Å; L807-I990 HydrophobicContact CD2-CG2 3.88Å; L808-I990 HydrophobicContact CD1-CG2 3.84Å; L808-I990 HydrophobicContact CD2-CD1 4.1Å; L808-I990 HydrophobicContact CD2-CG2 4.05Å; L808-I990 HydrophobicContact CG-CG2 3.75Å; M974-I990 HydrophobicContact CB-CD1 4.28Å; M974-I990 HydrophobicContact SD-CD1 3.94Å; L985-I990 HydrophobicContact CB-CD1 4.26Å; L985-I990 HydrophobicContact CB-CG1 3.71Å; L985-I990 HydrophobicContact CD1-CG1 4.05Å; N986-I990 WeakPolarHBondContact O-CG1 3.2Å; N986-I990 PolarHBondContact O-N 3.04Å; L987-I990 PolarHBondContact O-N 2.9Å; K988-I990 VanDerWaalsContact C-N 3.29Å; K988-I990 PolarHBondContact O-N 3.32Å; I990-Y994 WeakPolarHBondContact O-CB 3.29Å; I990-Y994 PolarHBondContact O-N 3.38Å
991L97.1Very high94.9Very high0 Ų039.2 Ų39.20%019%0.189CC..Hα-helixtrans-65-42.8178.2-62.3176.7000111.7L808 V831 I835 L838 L849 I853 L987 K988 Y994 I995L808-L991 HydrophobicContact CD1-CD2 3.53Å; L808-L991 HydrophobicContact CD1-CG 4.26Å; V831-L991 HydrophobicContact CG1-CD2 3.97Å; I835-L991 HydrophobicContact CD1-CD2 4.48Å; I835-L991 HydrophobicContact CG1-CD2 3.84Å; L838-L991 HydrophobicContact CD2-CB 3.64Å; L849-L991 HydrophobicContact CD2-CD1 4.02Å; I853-L991 HydrophobicContact CD1-CD1 4.18Å; L987-L991 HydrophobicContact CD1-CD1 4.45Å; L987-L991 HydrophobicContact CD1-CG 4.5Å; L987-L991 HydrophobicContact CG-CD1 4.31Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 3.11Å; K988-L991 PolarHBondContact O-N 3.16Å; K988-L991 VanDerWaalsContact O-N 3.08Å; L991-Y994 WeakPolarHBondContact O-CB 3.47Å; L991-Y994 PolarHBondContact O-N 3.27Å; L991-I995 VanDerWaalsContact O-CG1 3.3Å; L991-I995 WeakPolarHBondContact O-CG1 3.28Å; L991-I995 PolarHBondContact O-N 3.45Å
992E96.3Very high95.6Very high81 Ų8135.7 Ų35.738%0.37917%0.167SC..Hα-helixtrans-59.8-47.8176.2-70.4173.515900111.9L838 K988 Y994 I995 E996L838-E992 HydrophobicContact CD2-CG 3.86Å; K988-E992 WeakPolarHBondContact CE-OE1 3.42Å; K988-E992 HydrophobicContact CG-CG 4.24Å; K988-E992 WeakPolarHBondContact O-CG 3.45Å; K988-E992 PolarHBondContact O-N 3.17Å; E992-Y994 VanDerWaalsContact C-N 3.26Å; E992-Y994 PolarHBondContact O-N 3.05Å; E992-I995 PolarHBondContact O-N 3.4Å; E992-E996 WeakPolarHBondContact O-CB 3Å; E992-E996 PolarHBondContact O-N 2.76Å
993N96.8Very high96.1Very high27 Ų2737.1 Ų37.114%0.14418%0.176CC..Hα-helixtrans-61.7-36.3176.8-88.1-80.3000112.2V678 E978 Q989 H997V678-N993 HydrophobicContact CB-CB 4.48Å; V678-N993 HydrophobicContact CG1-CB 3.88Å; V678-N993 HydrophobicContact CG2-CB 3.73Å; E978-N993 PolarHBondContact OE1-ND2 3.02Å; E978-N993 PolarHBondContact OE1-OD1 3.23Å; Q989-N993 WeakPolarHBondContact O-CB 3.4Å; Q989-N993 PolarHBondContact O-N 3.34Å; Q989-N993 PolarHBondContact O-ND2 3.27Å; N993-H997 WeakPolarHBondContact O-CB 3.48Å; N993-H997 PolarHBondContact O-N 2.89Å; N993-H997 VanDerWaalsContact O-N 3.09Å
994Y97.2Very high96.4Very high4 Ų433.6 Ų33.62%0.01616%0.162CC..Hα-helixtrans-66.5-47.1175.6177.4-99.6000111.9A802 R803 F804 P805 I835 I990 L991 E992 E996 H997 Q998 L1112A802-Y994 WeakPolarHBondContact O-CE2 3.48Å; A802-Y994 PolarHBondContact O-OH 3.46Å; R803-Y994 PolarHBondContact O-OH 2.77Å; F804-Y994 VanDerWaalsContact C-OH 3.27Å; F804-Y994 WeakPolarHBondContact CA-OH 3.36Å; F804-Y994 PolarHBondContact N-OH 3.19Å; F804-Y994 VanDerWaalsContact N-OH 3.07Å; P805-Y994 HydrophobicContact CB-CD1 4.04Å; P805-Y994 HydrophobicContact CB-CD2 4Å; P805-Y994 HydrophobicContact CB-CE1 4.1Å; P805-Y994 HydrophobicContact CB-CE2 4.07Å; P805-Y994 HydrophobicContact CB-CG 4Å; P805-Y994 HydrophobicContact CG-CE1 4.48Å; I835-Y994 HydrophobicContact CD1-CD1 3.54Å; I835-Y994 HydrophobicContact CD1-CE1 3.59Å; I835-Y994 HydrophobicContact CG1-CD1 4.37Å; I990-Y994 WeakPolarHBondContact O-CB 3.29Å; I990-Y994 PolarHBondContact O-N 3.38Å; L991-Y994 WeakPolarHBondContact O-CB 3.47Å; L991-Y994 PolarHBondContact O-N 3.27Å; E992-Y994 VanDerWaalsContact C-N 3.26Å; E992-Y994 PolarHBondContact O-N 3.05Å; Y994-E996 PolarHBondContact O-N 3.4Å; Y994-H997 WeakPolarHBondContact O-CB 3.48Å; Y994-H997 PolarHBondContact O-N 3.23Å; Y994-Q998 HydrophobicContact CD1-CG 4.35Å; Y994-Q998 HydrophobicContact CE1-CG 3.74Å; Y994-Q998 HydrophobicContact CE2-CG 4.13Å; Y994-Q998 PolarHBondContact O-N 2.84Å; Y994-L1112 HydrophobicContact CE1-CD1 4.43Å; Y994-L1112 HydrophobicContact CE1-CD2 4.34Å
995I96.3Very high96.5Very high14 Ų1431.6 Ų31.67%0.07215%0.15CC..Hα-helixtrans-60.3-46.3177.8-67.7163.2000110.3I835 L838 M839 L991 E992 H997 Q998 K999I835-I995 HydrophobicContact CG2-CD1 4.07Å; I835-I995 HydrophobicContact CG2-CG1 3.85Å; L838-I995 HydrophobicContact CB-CD1 4.32Å; L838-I995 HydrophobicContact CD2-CD1 3.86Å; L838-I995 HydrophobicContact CG-CD1 4.21Å; M839-I995 HydrophobicContact CG-CD1 3.9Å; M839-I995 HydrophobicContact CG-CG1 4.35Å; M839-I995 HydrophobicContact CG-CG2 4.41Å; L991-I995 VanDerWaalsContact O-CG1 3.3Å; L991-I995 WeakPolarHBondContact O-CG1 3.28Å; L991-I995 PolarHBondContact O-N 3.45Å; E992-I995 PolarHBondContact O-N 3.4Å; I995-H997 VanDerWaalsContact C-N 3.31Å; I995-H997 PolarHBondContact O-N 3.46Å; I995-Q998 PolarHBondContact O-N 3.28Å; I995-Q998 VanDerWaalsContact O-N 3.13Å; I995-K999 HydrophobicContact CG2-CD 4.27Å; I995-K999 HydrophobicContact CG2-CG 4.48Å; I995-K999 WeakPolarHBondContact O-CG 3.28Å; I995-K999 PolarHBondContact O-N 3.25Å
996E96Very high96.5Very high104 Ų10431.7 Ų31.749%0.48615%0.151SC..Hα-helixtrans-60.6-41.5178.5-176.658.5-160.600111.7E992 Y994 K999 I1000E992-E996 WeakPolarHBondContact O-CB 3Å; E992-E996 PolarHBondContact O-N 2.76Å; Y994-E996 PolarHBondContact O-N 3.4Å; E996-K999 PolarHBondContact O-N 2.83Å; E996-I1000 HydrophobicContact CG-CD1 4.38Å; E996-I1000 WeakPolarHBondContact O-CG1 3.06Å; E996-I1000 PolarHBondContact O-N 2.96Å
997H97Very high96.5Very high8 Ų834.4 Ų34.44%0.03716%0.164CC..Hα-helixtrans-61-44.6173.3-179.860.8000112.2R679 L800 P801 N993 Y994 I995 K999 I1000 V1001R679-H997 HydrophobicContact CB-CB 4.01Å; R679-H997 HydrophobicContact CG-CB 3.89Å; L800-H997 PolarHBondContact O-NE2 3.46Å; P801-H997 PolarHBondContact O-NE2 3.47Å; N993-H997 WeakPolarHBondContact O-CB 3.48Å; N993-H997 PolarHBondContact O-N 2.89Å; N993-H997 VanDerWaalsContact O-N 3.09Å; Y994-H997 WeakPolarHBondContact O-CB 3.48Å; Y994-H997 PolarHBondContact O-N 3.23Å; I995-H997 VanDerWaalsContact C-N 3.31Å; I995-H997 PolarHBondContact O-N 3.46Å; H997-K999 PolarHBondContact O-N 3.5Å; H997-I1000 PolarHBondContact O-N 3.39Å; H997-V1001 WeakPolarHBondContact O-CB 3.47Å; H997-V1001 VanDerWaalsContact O-CG2 3.31Å; H997-V1001 WeakPolarHBondContact O-CG2 3.26Å; H997-V1001 PolarHBondContact O-N 2.86Å
998Q97.2Very high96.5Very high5 Ų537.4 Ų37.42%0.02318%0.177CC..Hα-helixtrans-64-38.4176.9-67.5-49.1-66.600112.4P801 A802 Y994 I995 I1000 V1001 I1002 I1108P801-Q998 PolarHBondContact O-NE2 2.81Å; A802-Q998 PolarHBondContact O-NE2 3.02Å; Y994-Q998 HydrophobicContact CD1-CG 4.35Å; Y994-Q998 HydrophobicContact CE1-CG 3.74Å; Y994-Q998 HydrophobicContact CE2-CG 4.13Å; Y994-Q998 PolarHBondContact O-N 2.84Å; I995-Q998 PolarHBondContact O-N 3.28Å; I995-Q998 VanDerWaalsContact O-N 3.13Å; Q998-I1000 VanDerWaalsContact C-N 3.34Å; Q998-I1000 PolarHBondContact O-N 2.99Å; Q998-V1001 PolarHBondContact O-N 3.37Å; Q998-I1002 WeakPolarHBondContact O-CB 3.45Å; Q998-I1002 VanDerWaalsContact O-CG1 3.31Å; Q998-I1002 WeakPolarHBondContact O-CG1 3.15Å; Q998-I1002 PolarHBondContact O-N 3.31Å; Q998-I1108 HydrophobicContact CB-CD1 3.91Å; Q998-I1108 HydrophobicContact CB-CG1 4.06Å; Q998-I1108 HydrophobicContact CB-CG2 4.45Å
999K96.3Very high96.4Very high59 Ų5937.7 Ų37.726%0.25718%0.181SC..Hα-helixtrans-58.3-45.8173.7-73.2178.7174-173.20111.2I995 E996 H997 T1003 V1104 E1105 I1108I995-K999 HydrophobicContact CG2-CD 4.27Å; I995-K999 HydrophobicContact CG2-CG 4.48Å; I995-K999 WeakPolarHBondContact O-CG 3.28Å; I995-K999 PolarHBondContact O-N 3.25Å; E996-K999 PolarHBondContact O-N 2.83Å; H997-K999 PolarHBondContact O-N 3.5Å; K999-T1003 VanDerWaalsContact O-CB 3.28Å; K999-T1003 WeakPolarHBondContact O-CB 3.17Å; K999-T1003 PolarHBondContact O-N 3.25Å; K999-T1003 PolarHBondContact O-OG1 2.77Å; K999-V1104 HydrophobicContact CB-CG1 4.47Å; K999-V1104 HydrophobicContact CG-CG1 4.33Å; K999-E1105 VanDerWaalsContact CE-OE1 3.24Å; K999-E1105 WeakPolarHBondContact CE-OE1 3.33Å; K999-E1105 IonicContact NZ-OE1 3.52Å; K999-E1105 PolarHBondContact NZ-OE1 2.88Å; K999-I1108 HydrophobicContact CG-CD1 3.69Å
1000I95.9Very high96.4Very high76 Ų7636.3 Ų36.339%0.3917%0.173SC..Hα-helixtrans-63.9-48.1176.7-66.1166.3000111.1E996 H997 Q998 I1002 T1003 R1004E996-I1000 HydrophobicContact CG-CD1 4.38Å; E996-I1000 WeakPolarHBondContact O-CG1 3.06Å; E996-I1000 PolarHBondContact O-N 2.96Å; H997-I1000 PolarHBondContact O-N 3.39Å; Q998-I1000 VanDerWaalsContact C-N 3.34Å; Q998-I1000 PolarHBondContact O-N 2.99Å; I1000-I1002 PolarHBondContact O-N 2.91Å; I1000-T1003 PolarHBondContact O-N 3.04Å; I1000-R1004 HydrophobicContact CG2-CG 4.35Å; I1000-R1004 WeakPolarHBondContact O-CB 3.46Å; I1000-R1004 WeakPolarHBondContact O-CG 3.49Å; I1000-R1004 PolarHBondContact O-N 3.18Å
1001V96.9Very high96.2Very high2 Ų243.2 Ų43.21%0.01220%0.203CC..Hα-helixtrans-58.4-47.5-179.8164.90000111T783 V784 P801 H997 Q998 R1005T783-V1001 HydrophobicContact CG2-CG1 4.3Å; V784-V1001 HydrophobicContact CG1-CG2 4.47Å; P801-V1001 HydrophobicContact CB-CG1 4.15Å; H997-V1001 WeakPolarHBondContact O-CB 3.47Å; H997-V1001 VanDerWaalsContact O-CG2 3.31Å; H997-V1001 WeakPolarHBondContact O-CG2 3.26Å; H997-V1001 PolarHBondContact O-N 2.86Å; Q998-V1001 PolarHBondContact O-N 3.37Å; V1001-R1005 WeakPolarHBondContact O-CB 3.5Å; V1001-R1005 PolarHBondContact O-N 3.16Å
1002I96.1Very high96.1Very high1 Ų149.8 Ų49.81%0.00523%0.232CC..Hα-helixtrans-68.2-41.4180-66.9170.6000111Q998 I1000 R1005 T1006 V1104 I1107 I1108Q998-I1002 WeakPolarHBondContact O-CB 3.45Å; Q998-I1002 VanDerWaalsContact O-CG1 3.31Å; Q998-I1002 WeakPolarHBondContact O-CG1 3.15Å; Q998-I1002 PolarHBondContact O-N 3.31Å; I1000-I1002 PolarHBondContact O-N 2.91Å; I1002-R1005 PolarHBondContact O-N 3.49Å; I1002-T1006 VanDerWaalsContact O-CB 3.31Å; I1002-T1006 WeakPolarHBondContact O-CB 3.3Å; I1002-T1006 PolarHBondContact O-N 3.23Å; I1002-T1006 PolarHBondContact O-OG1 2.9Å; I1002-V1104 HydrophobicContact CB-CG1 4.08Å; I1002-V1104 HydrophobicContact CG2-CG1 3.91Å; I1002-I1107 HydrophobicContact CD1-CB 4.33Å; I1002-I1107 HydrophobicContact CD1-CG2 3.89Å; I1002-I1107 HydrophobicContact CG1-CG2 4.49Å; I1002-I1107 HydrophobicContact CG2-CD1 4.26Å; I1002-I1107 HydrophobicContact CG2-CG2 4.28Å; I1002-I1108 HydrophobicContact CD1-CB 4.26Å; I1002-I1108 HydrophobicContact CD1-CD1 4.13Å; I1002-I1108 HydrophobicContact CD1-CG1 3.18Å
1003T96.1Very high96Very high51 Ų5146.4 Ų46.431%0.31322%0.218SC..Hα-helixtrans-60.7-50.1177-58.70000110.8K999 I1000 R1005 T1006 I1007 L1098K999-T1003 VanDerWaalsContact O-CB 3.28Å; K999-T1003 WeakPolarHBondContact O-CB 3.17Å; K999-T1003 PolarHBondContact O-N 3.25Å; K999-T1003 PolarHBondContact O-OG1 2.77Å; I1000-T1003 PolarHBondContact O-N 3.04Å; T1003-R1005 PolarHBondContact O-N 2.99Å; T1003-T1006 PolarHBondContact O-N 2.89Å; T1003-I1007 HydrophobicContact CG2-CD1 4.01Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.25Å; T1003-I1007 PolarHBondContact O-N 2.71Å; T1003-L1098 HydrophobicContact CG2-CD2 3.99Å
1004R96.6Very high95.9Very high56 Ų5649 Ų4921%0.21123%0.229CC..Hα-helixtrans-61.9-44.5178-73.8179.871.5160.62112.3D782 V784 D785 I1000 T1006 I1007 F1008D782-R1004 WeakPolarHBondContact O-CB 3.22Å; D782-R1004 VanDerWaalsContact O-CZ 3.31Å; D782-R1004 PolarHBondContact O-NE 3.05Å; D782-R1004 PolarHBondContact O-NH2 2.88Å; D782-R1004 IonicContact OD1-CZ 3.22Å; D782-R1004 IonicContact OD1-NH2 3.15Å; D782-R1004 PolarHBondContact OD1-NH2 2.86Å; V784-R1004 PolarHBondContact O-NH2 2.69Å; D785-R1004 IonicContact OD1-CZ 3.57Å; D785-R1004 IonicContact OD1-NH1 3.08Å; D785-R1004 PolarHBondContact OD1-NH1 3.35Å; D785-R1004 IonicContact OD1-NH2 3.76Å; D785-R1004 PolarHBondContact OD1-NH2 2.99Å; D785-R1004 IonicContact OD2-NH1 3.17Å; I1000-R1004 HydrophobicContact CG2-CG 4.35Å; I1000-R1004 WeakPolarHBondContact O-CB 3.46Å; I1000-R1004 WeakPolarHBondContact O-CG 3.49Å; I1000-R1004 PolarHBondContact O-N 3.18Å; R1004-T1006 VanDerWaalsContact C-N 3.3Å; R1004-T1006 PolarHBondContact O-N 2.87Å; R1004-I1007 PolarHBondContact O-N 3.41Å; R1004-F1008 WeakPolarHBondContact O-CB 3.34Å; R1004-F1008 PolarHBondContact O-N 2.97Å
1005R95.8Very high95.7Very high30 Ų3050.8 Ų50.811%0.11325%0.245CC..Hα-helixtrans-55.5-46173.2179.8178.361.2153.7-8.4111.5D778 K781 T783 V1001 I1002 T1003 F1008 D1009 E1111D778-R1005 WeakPolarHBondContact OD2-CD 3.32Å; D778-R1005 IonicContact OD2-NH1 3.7Å; D778-R1005 PolarHBondContact OD2-NH1 3.29Å; K781-R1005 HydrophobicContact CD-CG 3.95Å; T783-R1005 HydrophobicContact CG2-CB 3.82Å; V1001-R1005 WeakPolarHBondContact O-CB 3.5Å; V1001-R1005 PolarHBondContact O-N 3.16Å; I1002-R1005 PolarHBondContact O-N 3.49Å; T1003-R1005 PolarHBondContact O-N 2.99Å; R1005-F1008 PolarHBondContact O-N 3.45Å; R1005-D1009 WeakPolarHBondContact O-CB 3.23Å; R1005-D1009 PolarHBondContact O-N 2.75Å; R1005-E1111 IonicContact CZ-OE1 3.51Å; R1005-E1111 IonicContact NH1-OE1 2.97Å; R1005-E1111 PolarHBondContact NH1-OE1 2.87Å; R1005-E1111 IonicContact NH2-OE1 3.22Å; R1005-E1111 PolarHBondContact NH2-OE1 2.58Å; R1005-E1111 IonicContact NH2-OE2 3.31Å
1006T96Very high95.6Very high4 Ų454.6 Ų54.63%0.02526%0.258CS..Hα-helixtrans-66.8-41.6-178.8-54.50000111I1002 T1003 R1004 D1009 K1010 L1094 I1097 L1098I1002-T1006 VanDerWaalsContact O-CB 3.31Å; I1002-T1006 WeakPolarHBondContact O-CB 3.3Å; I1002-T1006 PolarHBondContact O-N 3.23Å; I1002-T1006 PolarHBondContact O-OG1 2.9Å; T1003-T1006 PolarHBondContact O-N 2.89Å; R1004-T1006 VanDerWaalsContact C-N 3.3Å; R1004-T1006 PolarHBondContact O-N 2.87Å; T1006-D1009 PolarHBondContact O-N 2.71Å; T1006-K1010 WeakPolarHBondContact O-CB 3.13Å; T1006-K1010 PolarHBondContact O-N 3.24Å; T1006-L1094 HydrophobicContact CG2-CB 4.08Å; T1006-L1094 HydrophobicContact CG2-CD2 3.67Å; T1006-L1094 HydrophobicContact CG2-CG 4.5Å; T1006-L1094 WeakPolarHBondContact CG2-O 3.36Å; T1006-I1097 HydrophobicContact CG2-CB 4Å; T1006-I1097 HydrophobicContact CG2-CG2 3.84Å; T1006-L1098 HydrophobicContact CG2-CD1 4.21Å; T1006-L1098 HydrophobicContact CG2-CD2 3.84Å; T1006-L1098 HydrophobicContact CG2-CG 3.66Å
1007I95.8Very high95.5Very high89 Ų8950 Ų5046%0.45624%0.238SC..Hα-helixtrans-61.5-44.6173-67.7167.7000111T1003 R1004 K1010 K1011 L1098T1003-I1007 HydrophobicContact CG2-CD1 4.01Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.25Å; T1003-I1007 PolarHBondContact O-N 2.71Å; R1004-I1007 PolarHBondContact O-N 3.41Å; I1007-K1010 PolarHBondContact O-N 3.34Å; I1007-K1011 VanDerWaalsContact O-CB 3.32Å; I1007-K1011 WeakPolarHBondContact O-CB 3.5Å; I1007-K1011 PolarHBondContact O-N 3.29Å; I1007-L1098 HydrophobicContact CD1-CD2 4.44Å; I1007-L1098 HydrophobicContact CG1-CD1 3.97Å; I1007-L1098 HydrophobicContact CG1-CD2 3.73Å
1008F96.2Very high95.3Very high63 Ų6352.9 Ų52.928%0.27625%0.251SS..Hα-helixtrans-63.1-49.6178.7179.5-85.6000111.6K781 D782 R1004 R1005 K1010 K1011 K1012K781-F1008 HydrophobicContact CB-CB 4.39Å; K781-F1008 HydrophobicContact CB-CD1 3.59Å; K781-F1008 HydrophobicContact CB-CE1 3.96Å; K781-F1008 HydrophobicContact CB-CG 3.95Å; K781-F1008 HydrophobicContact CD-CD1 4.32Å; K781-F1008 HydrophobicContact CG-CD1 3.86Å; K781-F1008 HydrophobicContact CG-CE1 3.88Å; K781-F1008 VanDerWaalsContact O-CB 3.23Å; K781-F1008 WeakPolarHBondContact O-CB 3.03Å; K781-F1008 WeakPolarHBondContact O-CG 3.32Å; D782-F1008 HydrophobicContact CB-CD2 3.88Å; R1004-F1008 WeakPolarHBondContact O-CB 3.34Å; R1004-F1008 PolarHBondContact O-N 2.97Å; R1005-F1008 PolarHBondContact O-N 3.45Å; F1008-K1010 VanDerWaalsContact C-N 3.3Å; F1008-K1010 PolarHBondContact O-N 3.46Å; F1008-K1011 PolarHBondContact O-N 3.23Å; F1008-K1012 HydrophobicContact CE1-CD 4.23Å; F1008-K1012 WeakPolarHBondContact O-CB 3.4Å; F1008-K1012 PolarHBondContact O-N 2.73Å
1009D95.2Very high95.1Very high41 Ų4154.1 Ų54.122%0.21926%0.258CS..Hα-helixtrans-63.9-37.6178.8-74.8-26.4000110.6K781 R1005 T1006 K1012 A1013 L1094K781-D1009 WeakPolarHBondContact CD-OD1 3.45Å; K781-D1009 WeakPolarHBondContact CE-OD1 3.38Å; K781-D1009 IonicContact NZ-OD1 2.7Å; K781-D1009 PolarHBondContact NZ-OD1 2.92Å; K781-D1009 VanDerWaalsContact NZ-OD1 3.17Å; K781-D1009 IonicContact NZ-OD2 2.63Å; K781-D1009 PolarHBondContact NZ-OD2 3.49Å; R1005-D1009 WeakPolarHBondContact O-CB 3.23Å; R1005-D1009 PolarHBondContact O-N 2.75Å; T1006-D1009 PolarHBondContact O-N 2.71Å; D1009-K1012 PolarHBondContact O-N 3.13Å; D1009-A1013 VanDerWaalsContact O-CB 3.29Å; D1009-A1013 WeakPolarHBondContact O-CB 3.47Å; D1009-A1013 PolarHBondContact O-N 3.48Å; D1009-L1094 HydrophobicContact CB-CD1 4.24Å; D1009-L1094 HydrophobicContact CB-CD2 4.3Å
1010K95.7Very high94.9Very high42 Ų4251.3 Ų51.318%0.18325%0.246CC..Hα-helixtrans-62.3-53.6174-179.7-179.6170.5178.10110.9T1006 I1007 F1008 K1012 A1013 E1014 L1094 E1095 L1098T1006-K1010 WeakPolarHBondContact O-CB 3.13Å; T1006-K1010 PolarHBondContact O-N 3.24Å; I1007-K1010 PolarHBondContact O-N 3.34Å; F1008-K1010 VanDerWaalsContact C-N 3.3Å; F1008-K1010 PolarHBondContact O-N 3.46Å; K1010-K1012 PolarHBondContact O-N 3.03Å; K1010-A1013 PolarHBondContact O-N 3.39Å; K1010-A1013 VanDerWaalsContact O-N 3.07Å; K1010-E1014 WeakPolarHBondContact CE-OE1 3.37Å; K1010-E1014 HydrophobicContact CG-CG 4.22Å; K1010-E1014 IonicContact NZ-OE1 3.37Å; K1010-E1014 WeakPolarHBondContact O-CB 3.31Å; K1010-E1014 WeakPolarHBondContact O-CG 3.1Å; K1010-E1014 PolarHBondContact O-N 3.23Å; K1010-L1094 HydrophobicContact CB-CB 4.11Å; K1010-L1094 HydrophobicContact CB-CD1 4.09Å; K1010-E1095 HydrophobicContact CD-CG 3.97Å; K1010-E1095 WeakPolarHBondContact CE-OE1 3.49Å; K1010-E1095 IonicContact NZ-OE1 2.95Å; K1010-E1095 PolarHBondContact NZ-OE1 2.87Å; K1010-L1098 HydrophobicContact CD-CD1 3.88Å
1011K94.7Very high94.7Very high150 Ų15051.5 Ų51.565%0.65225%0.245SC*.Hα-helixtrans-57.3-38178.6-176.5179-178.6178.50111.8I1007 F1008 A1015I1007-K1011 VanDerWaalsContact O-CB 3.32Å; I1007-K1011 WeakPolarHBondContact O-CB 3.5Å; I1007-K1011 PolarHBondContact O-N 3.29Å; F1008-K1011 PolarHBondContact O-N 3.23Å; K1011-A1015 WeakPolarHBondContact O-CB 3.32Å; K1011-A1015 PolarHBondContact O-N 2.96Å
1012K94Very high94.4Very high139 Ų13951.4 Ų51.460%0.60424%0.244SC*.Hα-helixtrans-70.6-41.9176.5-170.7177.3-179.6-178.70111.9F1008 D1009 K1010 R1016F1008-K1012 HydrophobicContact CE1-CD 4.23Å; F1008-K1012 WeakPolarHBondContact O-CB 3.4Å; F1008-K1012 PolarHBondContact O-N 2.73Å; D1009-K1012 PolarHBondContact O-N 3.13Å; K1010-K1012 PolarHBondContact O-N 3.03Å; K1012-R1016 WeakPolarHBondContact O-CB 3.28Å; K1012-R1016 PolarHBondContact O-N 3.21Å
1013A94.4Very high94.1Very high9 Ų952.2 Ų52.27%0.07425%0.248CC..Hα-helixtrans-65.6-45.8176.500000111.6D1009 K1010 R1016 A1017 L1087 I1091 L1094D1009-A1013 VanDerWaalsContact O-CB 3.29Å; D1009-A1013 WeakPolarHBondContact O-CB 3.47Å; D1009-A1013 PolarHBondContact O-N 3.48Å; K1010-A1013 PolarHBondContact O-N 3.39Å; K1010-A1013 VanDerWaalsContact O-N 3.07Å; A1013-R1016 PolarHBondContact O-N 3.03Å; A1013-A1017 WeakPolarHBondContact O-CB 3.35Å; A1013-A1017 PolarHBondContact O-N 3.33Å; A1013-L1087 HydrophobicContact CB-CD2 4.04Å; A1013-I1091 HydrophobicContact CB-CD1 4.27Å; A1013-I1091 HydrophobicContact CB-CG1 3.69Å; A1013-L1094 HydrophobicContact CB-CD1 4.49Å
1014E94.5Very high93.9Very high81 Ų8152.8 Ų52.838%0.37925%0.245SC..Hα-helixtrans-60.6-46.7174.1-72175.7147.200111.5K1010 R1016 A1017 H1018 I1091K1010-E1014 WeakPolarHBondContact CE-OE1 3.37Å; K1010-E1014 HydrophobicContact CG-CG 4.22Å; K1010-E1014 IonicContact NZ-OE1 3.37Å; K1010-E1014 WeakPolarHBondContact O-CB 3.31Å; K1010-E1014 WeakPolarHBondContact O-CG 3.1Å; K1010-E1014 PolarHBondContact O-N 3.23Å; E1014-R1016 PolarHBondContact O-N 3.24Å; E1014-A1017 PolarHBondContact O-N 2.67Å; E1014-H1018 VanDerWaalsContact O-CB 3.3Å; E1014-H1018 WeakPolarHBondContact O-CB 3.34Å; E1014-H1018 PolarHBondContact O-N 3.4Å; E1014-I1091 HydrophobicContact CG-CD1 4.01Å; E1014-I1091 HydrophobicContact CG-CG1 4.22Å; E1014-I1091 HydrophobicContact CG-CG2 4.27Å
1015A92.8Very high93.5Very high42 Ų4252.6 Ų52.635%0.34725%0.248SC..Hα-helixtrans-60.5-36176.100000111.9K1011 I1019K1011-A1015 WeakPolarHBondContact O-CB 3.32Å; K1011-A1015 PolarHBondContact O-N 2.96Å; A1015-I1019 WeakPolarHBondContact O-CG1 3.37Å; A1015-I1019 PolarHBondContact O-N 3.19Å
1016R93.7Very high93.2Very high95 Ų9551.2 Ų51.236%0.35824%0.243SC..Hα-helixtrans-72.3-44.6175.9-175.863.9176.6159.48.5111.8K1012 A1013 E1014 H1018 I1019 L1020 E1083 L1087K1012-R1016 WeakPolarHBondContact O-CB 3.28Å; K1012-R1016 PolarHBondContact O-N 3.21Å; A1013-R1016 PolarHBondContact O-N 3.03Å; E1014-R1016 PolarHBondContact O-N 3.24Å; R1016-H1018 VanDerWaalsContact C-N 3.31Å; R1016-H1018 PolarHBondContact O-N 2.82Å; R1016-I1019 PolarHBondContact O-N 3.48Å; R1016-L1020 WeakPolarHBondContact O-CG 3.45Å; R1016-L1020 PolarHBondContact O-N 3.28Å; R1016-E1083 IonicContact CZ-OE1 2.77Å; R1016-E1083 IonicContact NE-OE1 3.39Å; R1016-E1083 PolarHBondContact NE-OE1 3.3Å; R1016-E1083 IonicContact NH2-OE1 3.81Å; R1016-E1083 PolarHBondContact NH2-OE1 3.03Å; R1016-E1083 IonicContact NH2-OE2 2.8Å; R1016-E1083 PolarHBondContact NH2-OE2 3.45Å; R1016-E1083 VanDerWaalsContact NH2-OE2 3.15Å; R1016-L1087 HydrophobicContact CB-CD1 3.94Å; R1016-L1087 HydrophobicContact CG-CD1 3.47Å; R1016-L1087 VanDerWaalsContact CG-CD1 3.47Å
1017A94Very high92.8Very high8 Ų852 Ų527%0.06625%0.246CC..Hα-helixtrans-59.9-42.1176.200000111.1A1013 E1014 I1019 L1020 E1021 Y1084 L1087 I1091A1013-A1017 WeakPolarHBondContact O-CB 3.35Å; A1013-A1017 PolarHBondContact O-N 3.33Å; E1014-A1017 PolarHBondContact O-N 2.67Å; A1017-I1019 VanDerWaalsContact C-N 3.32Å; A1017-I1019 PolarHBondContact O-N 3.02Å; A1017-L1020 PolarHBondContact O-N 2.97Å; A1017-L1020 VanDerWaalsContact O-N 3.16Å; A1017-E1021 WeakPolarHBondContact O-CB 3.33Å; A1017-E1021 PolarHBondContact O-N 2.83Å; A1017-Y1084 HydrophobicContact CB-CD2 4.3Å; A1017-Y1084 HydrophobicContact CB-CE2 4.14Å; A1017-L1087 HydrophobicContact CB-CB 4.37Å; A1017-L1087 HydrophobicContact CB-CD1 4.48Å; A1017-I1091 HydrophobicContact CB-CD1 3.91Å
1018H93.5Very high92.4Very high67 Ų6752.2 Ų52.231%0.3125%0.249SC..Hα-helixtrans-56.7-43174.1-172.175.6000112.1E1014 R1016 G1022 S1057 Q1060E1014-H1018 VanDerWaalsContact O-CB 3.3Å; E1014-H1018 WeakPolarHBondContact O-CB 3.34Å; E1014-H1018 PolarHBondContact O-N 3.4Å; R1016-H1018 VanDerWaalsContact C-N 3.31Å; R1016-H1018 PolarHBondContact O-N 2.82Å; H1018-G1022 PolarHBondContact O-N 2.84Å; H1018-S1057 WeakPolarHBondContact NE2-CB 3.46Å; H1018-S1057 PolarHBondContact NE2-OG 3.44Å; H1018-Q1060 PolarHBondContact CE1-NE2 3.21Å; H1018-Q1060 VanDerWaalsContact CE1-NE2 3.33Å; H1018-Q1060 WeakPolarHBondContact NE2-CG 3.31Å; H1018-Q1060 PolarHBondContact NE2-NE2 2.86Å; H1018-Q1060 PolarHBondContact NE2-OE1 2.79Å; H1018-Q1060 VanDerWaalsContact O-CG 3.24Å; H1018-Q1060 WeakPolarHBondContact O-CG 3.24Å; H1018-Q1060 PolarHBondContact O-NE2 2.87Å
1019I92.7Very high92.2Very high31 Ų3152.9 Ų52.916%0.15925%0.253CS..Hα-helixtrans-67.8-44.4175.6-64.3-59.8000111.7A1015 R1016 A1017 E1021 G1022 L1023 R1059 A1063A1015-I1019 WeakPolarHBondContact O-CG1 3.37Å; A1015-I1019 PolarHBondContact O-N 3.19Å; R1016-I1019 PolarHBondContact O-N 3.48Å; A1017-I1019 VanDerWaalsContact C-N 3.32Å; A1017-I1019 PolarHBondContact O-N 3.02Å; I1019-E1021 VanDerWaalsContact C-N 3.3Å; I1019-E1021 PolarHBondContact O-N 2.98Å; I1019-G1022 PolarHBondContact O-N 3.1Å; I1019-L1023 HydrophobicContact CG2-CD1 4.3Å; I1019-L1023 PolarHBondContact O-N 3.36Å; I1019-R1059 HydrophobicContact CD1-CB 3.93Å; I1019-R1059 WeakPolarHBondContact CD1-O 3.11Å; I1019-A1063 HydrophobicContact CD1-CB 4.11Å; I1019-A1063 HydrophobicContact CG2-CB 3.64Å
1020L92.2Very high91.8Very high1 Ų153.2 Ų53.21%0.00525%0.254CS..Hα-helixtrans-64.5-35.6179-66.8-176.2000111.9R1016 A1017 G1022 L1023 R1024 I1080 E1083 Y1084 L1087R1016-L1020 WeakPolarHBondContact O-CG 3.45Å; R1016-L1020 PolarHBondContact O-N 3.28Å; A1017-L1020 PolarHBondContact O-N 2.97Å; A1017-L1020 VanDerWaalsContact O-N 3.16Å; L1020-G1022 PolarHBondContact O-N 2.85Å; L1020-L1023 HydrophobicContact CD2-CD1 4.22Å; L1020-L1023 CarbonylContact O-C 3.56Å; L1020-L1023 PolarHBondContact O-N 2.87Å; L1020-L1023 VanDerWaalsContact O-N 3.16Å; L1020-R1024 VanDerWaalsContact O-CG 3.23Å; L1020-R1024 WeakPolarHBondContact O-CG 3.23Å; L1020-R1024 PolarHBondContact O-N 2.76Å; L1020-I1080 HydrophobicContact CD2-CG2 4.24Å; L1020-E1083 HydrophobicContact CD1-CB 3.86Å; L1020-E1083 HydrophobicContact CD1-CG 3.66Å; L1020-Y1084 HydrophobicContact CB-CD2 3.96Å; L1020-L1087 HydrophobicContact CD1-CD1 3.64Å
1021E91.4Very high91.4Very high79 Ų7957.4 Ų57.437%0.36928%0.278SS..Hα-helixtrans-59.6-44.9173.9-174169.5-151.100111.7A1017 I1019 L1023 R1024 I1025 Y1084A1017-E1021 WeakPolarHBondContact O-CB 3.33Å; A1017-E1021 PolarHBondContact O-N 2.83Å; I1019-E1021 VanDerWaalsContact C-N 3.3Å; I1019-E1021 PolarHBondContact O-N 2.98Å; E1021-L1023 VanDerWaalsContact C-N 3.34Å; E1021-L1023 PolarHBondContact O-N 3.25Å; E1021-R1024 WeakPolarHBondContact O-CB 3.33Å; E1021-R1024 PolarHBondContact O-N 2.66Å; E1021-I1025 WeakPolarHBondContact O-CG1 3.44Å; E1021-I1025 PolarHBondContact O-N 3.49Å; E1021-Y1084 HydrophobicContact CB-CE2 4.11Å
1022G91.3Very high91.2Very high0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-61.8-40.4172.500000112.8H1018 I1019 L1020 R1024 I1025 A1026H1018-G1022 PolarHBondContact O-N 2.84Å; I1019-G1022 PolarHBondContact O-N 3.1Å; L1020-G1022 PolarHBondContact O-N 2.85Å; G1022-R1024 VanDerWaalsContact C-N 3.34Å; G1022-R1024 PolarHBondContact O-N 2.91Å; G1022-I1025 PolarHBondContact O-N 2.85Å; G1022-A1026 WeakPolarHBondContact O-CB 3.24Å; G1022-A1026 PolarHBondContact O-N 3.42Å
1023L90.2Very high91Very high18 Ų1849 Ų499%0.09424%0.244CC..Hα-helixtrans-67.3-31.9175.3-68.5175.6000112.7I1019 L1020 E1021 A1026 L1027 I1064 M1067I1019-L1023 HydrophobicContact CG2-CD1 4.3Å; I1019-L1023 PolarHBondContact O-N 3.36Å; L1020-L1023 HydrophobicContact CD2-CD1 4.22Å; L1020-L1023 CarbonylContact O-C 3.56Å; L1020-L1023 PolarHBondContact O-N 2.87Å; L1020-L1023 VanDerWaalsContact O-N 3.16Å; E1021-L1023 VanDerWaalsContact C-N 3.34Å; E1021-L1023 PolarHBondContact O-N 3.25Å; L1023-A1026 PolarHBondContact O-N 2.71Å; L1023-L1027 WeakPolarHBondContact O-CB 2.91Å; L1023-L1027 VanDerWaalsContact O-CG 3.25Å; L1023-L1027 WeakPolarHBondContact O-CG 3.38Å; L1023-L1027 PolarHBondContact O-N 2.96Å; L1023-I1064 HydrophobicContact CD2-CG1 4.14Å; L1023-M1067 HydrophobicContact CD2-CB 4.45Å; L1023-M1067 HydrophobicContact CD2-CG 4.47Å; L1023-M1067 HydrophobicContact CD2-SD 3.92Å
1024R90.4Very high90.7Very high63 Ų6351.9 Ų51.924%0.23826%0.257CS..Hα-helixtrans-66.4-50.2174.5-71166.379.4-1376.1110.6L1020 E1021 G1022 A1026 L1027 D1028 I1080 E1081L1020-R1024 VanDerWaalsContact O-CG 3.23Å; L1020-R1024 WeakPolarHBondContact O-CG 3.23Å; L1020-R1024 PolarHBondContact O-N 2.76Å; E1021-R1024 WeakPolarHBondContact O-CB 3.33Å; E1021-R1024 PolarHBondContact O-N 2.66Å; G1022-R1024 VanDerWaalsContact C-N 3.34Å; G1022-R1024 PolarHBondContact O-N 2.91Å; R1024-A1026 PolarHBondContact O-N 2.96Å; R1024-L1027 PolarHBondContact O-N 3.13Å; R1024-L1027 VanDerWaalsContact O-N 3.07Å; R1024-D1028 PolarHBondContact O-N 2.95Å; R1024-I1080 HydrophobicContact CG-CG2 3.91Å; R1024-E1081 IonicContact CZ-OE1 2.72Å; R1024-E1081 IonicContact CZ-OE2 3.06Å; R1024-E1081 VanDerWaalsContact CZ-OE2 3.29Å; R1024-E1081 IonicContact NE-OE1 3.66Å; R1024-E1081 IonicContact NE-OE2 3.53Å; R1024-E1081 PolarHBondContact NE-OE2 2.94Å; R1024-E1081 IonicContact NH2-OE1 2.76Å; R1024-E1081 PolarHBondContact NH2-OE1 3.43Å; R1024-E1081 IonicContact NH2-OE2 3.52Å; R1024-E1081 PolarHBondContact NH2-OE2 3.41Å
1025I90Very high90.5Very high53 Ų5350 Ų5027%0.27226%0.256SS..Hα-helixtrans-54.8-42.3173.1-63.9167.6000109.9E1021 G1022 L1027 D1028 H1029 F1054 L1056E1021-I1025 WeakPolarHBondContact O-CG1 3.44Å; E1021-I1025 PolarHBondContact O-N 3.49Å; G1022-I1025 PolarHBondContact O-N 2.85Å; I1025-L1027 PolarHBondContact O-N 3.49Å; I1025-D1028 PolarHBondContact O-N 3.47Å; I1025-H1029 PolarHBondContact O-CD2 3.42Å; I1025-H1029 PolarHBondContact O-N 3.36Å; I1025-F1054 HydrophobicContact CG2-CB 4.22Å; I1025-F1054 HydrophobicContact CG2-CD1 4.36Å; I1025-L1056 HydrophobicContact CB-CD2 4.43Å; I1025-L1056 HydrophobicContact CD1-CD2 3.99Å; I1025-L1056 HydrophobicContact CG2-CD2 4.41Å
1026A89.1Confident90.3Very high1 Ų148.3 Ų48.31%0.00824%0.24CC..Hα-helixtrans-66.8-34.917900000114.8G1022 L1023 R1024 H1029 I1030 I1033 I1064G1022-A1026 WeakPolarHBondContact O-CB 3.24Å; G1022-A1026 PolarHBondContact O-N 3.42Å; L1023-A1026 PolarHBondContact O-N 2.71Å; R1024-A1026 PolarHBondContact O-N 2.96Å; A1026-H1029 CarbonylContact O-C 3.58Å; A1026-I1030 WeakPolarHBondContact O-CA 3.48Å; A1026-I1030 PolarHBondContact O-N 3.08Å; A1026-I1030 VanDerWaalsContact O-N 3.13Å; A1026-I1033 HydrophobicContact CB-CD1 3.41Å; A1026-I1033 VanDerWaalsContact CB-CD1 3.41Å; A1026-I1064 HydrophobicContact CB-CD1 3.79Å; A1026-I1064 HydrophobicContact CB-CG1 3.7Å; A1026-I1064 HydrophobicContact CB-CG2 4.04Å
1027L86.8Confident90Very high19 Ų1946.7 Ų46.710%0.09924%0.239CC..Hα-helixtrans-74.4-29175.1-71.9170.3000112.1L1023 R1024 I1025 L1072 R1077 I1080L1023-L1027 WeakPolarHBondContact O-CB 2.91Å; L1023-L1027 VanDerWaalsContact O-CG 3.25Å; L1023-L1027 WeakPolarHBondContact O-CG 3.38Å; L1023-L1027 PolarHBondContact O-N 2.96Å; R1024-L1027 PolarHBondContact O-N 3.13Å; R1024-L1027 VanDerWaalsContact O-N 3.07Å; I1025-L1027 PolarHBondContact O-N 3.49Å; L1027-L1072 HydrophobicContact CD2-CD2 3.71Å; L1027-R1077 HydrophobicContact CD1-CB 4.19Å; L1027-R1077 HydrophobicContact CD1-CG 4.08Å; L1027-I1080 HydrophobicContact CD1-CD1 3.76Å
1028D88.2Confident89.7Confident95 Ų9556.2 Ų56.251%0.50827%0.273SS..Hα-helixtrans-75.1-32.5175.9-68.2-18.6000112.2R1024 I1025 R1077R1024-D1028 PolarHBondContact O-N 2.95Å; I1025-D1028 PolarHBondContact O-N 3.47Å; D1028-R1077 IonicContact OD1-CZ 3.85Å; D1028-R1077 IonicContact OD1-NH2 2.59Å; D1028-R1077 PolarHBondContact OD1-NH2 3.37Å
1029H90.5Very high89.6Confident77 Ų7759.7 Ų59.736%0.35629%0.293SS..THydrogen-bonded Turntrans-113.533.7179.6-63.8-82.8000113.6I1025 A1026 D1031 E1032 I1033 F1054I1025-H1029 PolarHBondContact O-CD2 3.42Å; I1025-H1029 PolarHBondContact O-N 3.36Å; A1026-H1029 CarbonylContact O-C 3.58Å; H1029-D1031 VanDerWaalsContact C-N 3.34Å; H1029-D1031 PolarHBondContact O-N 2.98Å; H1029-E1032 IonicContact ND1-OE1 2.84Å; H1029-E1032 PolarHBondContact ND1-OE1 2.9Å; H1029-E1032 PolarHBondContact O-N 2.97Å; H1029-E1032 VanDerWaalsContact O-N 3.1Å; H1029-I1033 PolarHBondContact O-N 2.99Å; H1029-F1054 HydrophobicContact CB-CD1 4.25Å; H1029-F1054 HydrophobicContact CB-CE1 3.56Å; H1029-F1054 HydrophobicContact CB-CZ 4.21Å; H1029-F1054 AromaticContact CG-CE1 3.78Å
1030I87.4Confident89.5Confident48 Ų4859.3 Ų59.325%0.24629%0.294CS..Hα-helixtrans-53.4-44.2-169.5-167.1177.4000114.2A1026 E1032 I1033 I1034 L1072A1026-I1030 WeakPolarHBondContact O-CA 3.48Å; A1026-I1030 PolarHBondContact O-N 3.08Å; A1026-I1030 VanDerWaalsContact O-N 3.13Å; I1030-E1032 PolarHBondContact O-N 2.88Å; I1030-I1033 PolarHBondContact O-N 2.85Å; I1030-I1034 HydrophobicContact CD1-CD1 4.42Å; I1030-I1034 HydrophobicContact CG1-CD1 3.83Å; I1030-I1034 HydrophobicContact CG1-CG1 4.47Å; I1030-I1034 WeakPolarHBondContact O-CB 3.46Å; I1030-I1034 VanDerWaalsContact O-CG1 3.27Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.37Å; I1030-I1034 PolarHBondContact O-N 2.99Å; I1030-L1072 HydrophobicContact CD1-CB 4.1Å; I1030-L1072 HydrophobicContact CD1-CD1 3.96Å; I1030-L1072 HydrophobicContact CD1-CD2 3.49Å; I1030-L1072 VanDerWaalsContact CD1-CD2 3.49Å; I1030-L1072 HydrophobicContact CD1-CG 4.01Å; I1030-L1072 HydrophobicContact CG1-CD2 4.13Å
1031D87.8Confident89.2Confident129 Ų12964.2 Ų64.269%0.6933%0.334SS*.Hα-helixtrans-67.6-38.4-177.4-69.6-38.5000111.3H1029 A1035H1029-D1031 VanDerWaalsContact C-N 3.34Å; H1029-D1031 PolarHBondContact O-N 2.98Å; D1031-A1035 VanDerWaalsContact O-CB 3.23Å; D1031-A1035 WeakPolarHBondContact O-CB 3.18Å; D1031-A1035 PolarHBondContact O-N 3.18Å
1032E90.1Very high89.1Confident108 Ų10862.9 Ų62.951%0.50533%0.334SS..Hα-helixtrans-71.5-37.7178.5-62.6179.3-125.700111.9H1029 I1030 A1035 T1036 F1054H1029-E1032 IonicContact ND1-OE1 2.84Å; H1029-E1032 PolarHBondContact ND1-OE1 2.9Å; H1029-E1032 PolarHBondContact O-N 2.97Å; H1029-E1032 VanDerWaalsContact O-N 3.1Å; I1030-E1032 PolarHBondContact O-N 2.88Å; E1032-A1035 PolarHBondContact O-N 3.37Å; E1032-T1036 VanDerWaalsContact O-CB 3.32Å; E1032-T1036 WeakPolarHBondContact O-CB 3.19Å; E1032-T1036 PolarHBondContact O-N 3.38Å; E1032-T1036 PolarHBondContact O-OG1 2.8Å; E1032-F1054 HydrophobicContact CB-CE1 4.45Å; E1032-F1054 HydrophobicContact CB-CZ 3.82Å
1033I89.2Confident88.9Confident6 Ų668.9 Ų68.93%0.03137%0.366CS..Hα-helixtrans-65.9-48.3174-71.6-162.6000110.8A1026 H1029 I1030 A1035 T1036 I1037 L1050 F1054 I1064A1026-I1033 HydrophobicContact CB-CD1 3.41Å; A1026-I1033 VanDerWaalsContact CB-CD1 3.41Å; H1029-I1033 PolarHBondContact O-N 2.99Å; I1030-I1033 PolarHBondContact O-N 2.85Å; I1033-A1035 VanDerWaalsContact C-N 3.29Å; I1033-A1035 PolarHBondContact O-N 3.38Å; I1033-T1036 PolarHBondContact O-N 2.98Å; I1033-I1037 HydrophobicContact CG2-CD1 3.69Å; I1033-I1037 HydrophobicContact CG2-CG1 4.41Å; I1033-I1037 WeakPolarHBondContact O-CG1 3.33Å; I1033-I1037 PolarHBondContact O-N 3.07Å; I1033-L1050 HydrophobicContact CB-CD2 4.28Å; I1033-L1050 HydrophobicContact CD1-CD2 4.16Å; I1033-L1050 HydrophobicContact CG1-CD2 3.89Å; I1033-L1050 HydrophobicContact CG2-CD2 4.02Å; I1033-F1054 HydrophobicContact CD1-CE2 4.44Å; I1033-F1054 HydrophobicContact CG1-CD2 4.24Å; I1033-F1054 HydrophobicContact CG1-CE2 3.7Å; I1033-F1054 HydrophobicContact CG1-CZ 3.86Å; I1033-I1064 HydrophobicContact CD1-CD1 4.4Å; I1033-I1064 HydrophobicContact CD1-CG2 4.12Å; I1033-I1064 HydrophobicContact CG2-CG2 3.8Å
1034I88.2Confident88.8Confident68 Ų6873.8 Ų73.835%0.34939%0.392SS..Hα-helixtrans-60.6-42.1177.1-69.5169.9000110.2I1030 R1038I1030-I1034 HydrophobicContact CD1-CD1 4.42Å; I1030-I1034 HydrophobicContact CG1-CD1 3.83Å; I1030-I1034 HydrophobicContact CG1-CG1 4.47Å; I1030-I1034 WeakPolarHBondContact O-CB 3.46Å; I1030-I1034 VanDerWaalsContact O-CG1 3.27Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.37Å; I1030-I1034 PolarHBondContact O-N 2.99Å; I1034-R1038 HydrophobicContact CG2-CG 4.28Å; I1034-R1038 VanDerWaalsContact O-CB 3.27Å; I1034-R1038 WeakPolarHBondContact O-CB 3.43Å; I1034-R1038 VanDerWaalsContact O-CG 3.22Å; I1034-R1038 WeakPolarHBondContact O-CG 3.28Å; I1034-R1038 PolarHBondContact O-N 3.32Å
1035A90.1Very high88.7Confident43 Ų4374 Ų7436%0.35540%0.4SS..Hα-helixtrans-63.9-41.3176.200000112.2D1031 E1032 I1033 R1038 N1039D1031-A1035 VanDerWaalsContact O-CB 3.23Å; D1031-A1035 WeakPolarHBondContact O-CB 3.18Å; D1031-A1035 PolarHBondContact O-N 3.18Å; E1032-A1035 PolarHBondContact O-N 3.37Å; I1033-A1035 VanDerWaalsContact C-N 3.29Å; I1033-A1035 PolarHBondContact O-N 3.38Å; A1035-R1038 PolarHBondContact O-N 2.99Å; A1035-N1039 WeakPolarHBondContact O-CB 3.47Å; A1035-N1039 PolarHBondContact O-N 2.83Å; A1035-N1039 VanDerWaalsContact O-N 3.08Å; A1035-N1039 PolarHBondContact O-ND2 2.91Å
1036T88.7Confident88.7Confident5 Ų571.6 Ų71.63%0.03139%0.388CS..Hα-helixtrans-62.4-52.1177.3-60.30000110.3E1032 I1033 R1038 N1039 S1040 T1049 L1050 R1053E1032-T1036 VanDerWaalsContact O-CB 3.32Å; E1032-T1036 WeakPolarHBondContact O-CB 3.19Å; E1032-T1036 PolarHBondContact O-N 3.38Å; E1032-T1036 PolarHBondContact O-OG1 2.8Å; I1033-T1036 PolarHBondContact O-N 2.98Å; T1036-R1038 VanDerWaalsContact C-N 3.35Å; T1036-R1038 PolarHBondContact O-N 3.38Å; T1036-N1039 PolarHBondContact O-N 3.22Å; T1036-N1039 VanDerWaalsContact O-N 3.14Å; T1036-S1040 PolarHBondContact O-N 3.38Å; T1036-S1040 PolarHBondContact O-OG 2.86Å; T1036-T1049 HydrophobicContact CG2-CG2 3.5Å; T1036-L1050 HydrophobicContact CG2-CD2 4.26Å; T1036-R1053 PolarHBondContact OG1-NH1 2.92Å
1037I88.2Confident88.8Confident62 Ų6272.8 Ų72.832%0.31839%0.393SS..Hα-helixtrans-60.3-43.4178.5-64.2168.2000111.2I1033 N1039 S1040 A1046 L1050 L1065I1033-I1037 HydrophobicContact CG2-CD1 3.69Å; I1033-I1037 HydrophobicContact CG2-CG1 4.41Å; I1033-I1037 WeakPolarHBondContact O-CG1 3.33Å; I1033-I1037 PolarHBondContact O-N 3.07Å; I1037-N1039 VanDerWaalsContact C-N 3.26Å; I1037-N1039 PolarHBondContact O-N 2.94Å; I1037-S1040 PolarHBondContact O-N 2.88Å; I1037-A1046 HydrophobicContact CG1-CB 4.49Å; I1037-L1050 HydrophobicContact CD1-CD1 4.38Å; I1037-L1050 HydrophobicContact CG1-CD1 4.23Å; I1037-L1065 HydrophobicContact CD1-CD2 3.81Å; I1037-L1065 HydrophobicContact CG1-CD2 3.86Å
1038R88.8Confident89Confident208 Ų20875.3 Ų75.379%0.78541%0.409SS*.Hα-helixtrans-65.9-25.8178.9-76.6-177.471.2-175.91.8113.9I1034 A1035 T1036I1034-R1038 HydrophobicContact CG2-CG 4.28Å; I1034-R1038 VanDerWaalsContact O-CB 3.27Å; I1034-R1038 WeakPolarHBondContact O-CB 3.43Å; I1034-R1038 VanDerWaalsContact O-CG 3.22Å; I1034-R1038 WeakPolarHBondContact O-CG 3.28Å; I1034-R1038 PolarHBondContact O-N 3.32Å; A1035-R1038 PolarHBondContact O-N 2.99Å; T1036-R1038 VanDerWaalsContact C-N 3.35Å; T1036-R1038 PolarHBondContact O-N 3.38Å
1039N90.9Very high89.1Confident139 Ų13972.1 Ų72.174%0.74339%0.394SS*.Hα-helixtrans-94.6-13.5-179.7-70.3-31.6000113.1A1035 T1036 I1037A1035-N1039 WeakPolarHBondContact O-CB 3.47Å; A1035-N1039 PolarHBondContact O-N 2.83Å; A1035-N1039 VanDerWaalsContact O-N 3.08Å; A1035-N1039 PolarHBondContact O-ND2 2.91Å; T1036-N1039 PolarHBondContact O-N 3.22Å; T1036-N1039 VanDerWaalsContact O-N 3.14Å; I1037-N1039 VanDerWaalsContact C-N 3.26Å; I1037-N1039 PolarHBondContact O-N 2.94Å
1040S89.4Confident89.2Confident24 Ų2468.5 Ų68.517%0.16838%0.377CS..  trans-77.5140.5176.7-65.20000111.6T1036 I1037 A1046T1036-S1040 PolarHBondContact O-N 3.38Å; T1036-S1040 PolarHBondContact O-OG 2.86Å; I1037-S1040 PolarHBondContact O-N 2.88Å; S1040-A1046 VanDerWaalsContact OG-CA 3.26Å; S1040-A1046 WeakPolarHBondContact OG-CA 3.32Å
1041A86.9Confident89.4Confident103 Ų10369.1 Ų69.185%0.85138%0.379SS*.SBendtrans-79.2-20.3-178.500000113.8
1042S88.9Confident89.5Confident51 Ų5170.1 Ų70.136%0.35738%0.38SS..SBendtrans-152.3164.6178.669.10000111.1D1044 V1045 A1046S1042-D1044 VanDerWaalsContact C-N 3.29Å; S1042-D1044 PolarHBondContact O-N 2.82Å; S1042-V1045 PolarHBondContact O-N 2.79Å; S1042-V1045 WeakPolarHBondContact OG-CG2 3.4Å; S1042-V1045 PolarHBondContact OG-N 3.46Å; S1042-A1046 PolarHBondContact O-N 3.35Å
1043D86.4Confident89.6Confident127 Ų12772.8 Ų72.868%0.67939%0.385SS*.Hα-helixtrans-58.9-40.5176.2-62-4.8000111.4V1045 A1046 K1047D1043-V1045 PolarHBondContact O-N 3.04Å; D1043-A1046 PolarHBondContact O-N 3.43Å; D1043-K1047 VanDerWaalsContact O-CB 3.24Å; D1043-K1047 WeakPolarHBondContact O-CB 3.42Å; D1043-K1047 PolarHBondContact O-N 2.82Å
1044D88.8Confident89.6Confident121 Ų12173.8 Ų73.865%0.64739%0.389SS*.Hα-helixtrans-62.5-41.3177.3-64.2-41000112.2S1042 T1048S1042-D1044 VanDerWaalsContact C-N 3.29Å; S1042-D1044 PolarHBondContact O-N 2.82Å; D1044-T1048 WeakPolarHBondContact O-CB 3.25Å; D1044-T1048 PolarHBondContact O-N 3.21Å; D1044-T1048 PolarHBondContact O-OG1 2.93Å
1045V89.4Confident89.7Confident68 Ų6879.2 Ų79.241%0.41241%0.413SS..Hα-helixtrans-68.9-42.3176.6175.20000110.3S1042 D1043 T1049S1042-V1045 PolarHBondContact O-N 2.79Å; S1042-V1045 WeakPolarHBondContact OG-CG2 3.4Å; S1042-V1045 PolarHBondContact OG-N 3.46Å; D1043-V1045 PolarHBondContact O-N 3.04Å; V1045-T1049 WeakPolarHBondContact O-CB 3.45Å; V1045-T1049 PolarHBondContact O-N 2.91Å; V1045-T1049 PolarHBondContact O-OG1 3.49Å
1046A89.1Confident89.8Confident2 Ų277.5 Ų77.52%0.01740%0.398CS..Hα-helixtrans-60.1-48.5176.100000110.9I1037 S1040 S1042 D1043 T1049 L1050 L1065I1037-A1046 HydrophobicContact CG1-CB 4.49Å; S1040-A1046 VanDerWaalsContact OG-CA 3.26Å; S1040-A1046 WeakPolarHBondContact OG-CA 3.32Å; S1042-A1046 PolarHBondContact O-N 3.35Å; D1043-A1046 PolarHBondContact O-N 3.43Å; A1046-T1049 PolarHBondContact O-N 3.38Å; A1046-L1050 WeakPolarHBondContact O-CB 3.48Å; A1046-L1050 WeakPolarHBondContact O-CG 3.4Å; A1046-L1050 PolarHBondContact O-N 3.16Å; A1046-L1065 HydrophobicContact CB-CD2 4.09Å
1047K91.6Very high90Very high26 Ų2679.2 Ų79.211%0.11341%0.41CS..Hα-helixtrans-58.9-51178.7-164.6178.9-176.7-175.60111.6D1043 T1049 L1050 M1051 D1058 A1061 L1065D1043-K1047 VanDerWaalsContact O-CB 3.24Å; D1043-K1047 WeakPolarHBondContact O-CB 3.42Å; D1043-K1047 PolarHBondContact O-N 2.82Å; K1047-T1049 VanDerWaalsContact C-N 3.31Å; K1047-T1049 PolarHBondContact O-N 2.75Å; K1047-L1050 PolarHBondContact O-N 2.91Å; K1047-M1051 HydrophobicContact CG-SD 4.27Å; K1047-M1051 VanDerWaalsContact O-CG 3.25Å; K1047-M1051 WeakPolarHBondContact O-CG 3.41Å; K1047-M1051 PolarHBondContact O-N 2.79Å; K1047-D1058 WeakPolarHBondContact CE-O 3.39Å; K1047-D1058 WeakPolarHBondContact CE-OD1 3.49Å; K1047-D1058 IonicContact NZ-OD1 2.74Å; K1047-D1058 PolarHBondContact NZ-OD1 3.32Å; K1047-D1058 IonicContact NZ-OD2 2.66Å; K1047-D1058 PolarHBondContact NZ-OD2 3.02Å; K1047-A1061 HydrophobicContact CG-CB 3.71Å; K1047-L1065 HydrophobicContact CB-CD1 3.83Å; K1047-L1065 HydrophobicContact CG-CD1 4.23Å
1048T91.3Very high90.2Very high71 Ų7180.2 Ų80.244%0.43642%0.416SS..Hα-helixtrans-59.1-43.8178-52.20000111.1D1044 L1050 M1051 E1052D1044-T1048 WeakPolarHBondContact O-CB 3.25Å; D1044-T1048 PolarHBondContact O-N 3.21Å; D1044-T1048 PolarHBondContact O-OG1 2.93Å; T1048-L1050 PolarHBondContact O-N 3.35Å; T1048-M1051 PolarHBondContact O-N 3.5Å; T1048-E1052 WeakPolarHBondContact O-CG 3.09Å; T1048-E1052 PolarHBondContact O-N 2.91Å
1049T90.6Very high90.3Very high29 Ų2978.8 Ų78.818%0.17841%0.411CS..Hα-helixtrans-67-38.4179.2-49.10000112.2T1036 V1045 A1046 K1047 E1052 R1053T1036-T1049 HydrophobicContact CG2-CG2 3.5Å; V1045-T1049 WeakPolarHBondContact O-CB 3.45Å; V1045-T1049 PolarHBondContact O-N 2.91Å; V1045-T1049 PolarHBondContact O-OG1 3.49Å; A1046-T1049 PolarHBondContact O-N 3.38Å; K1047-T1049 VanDerWaalsContact C-N 3.31Å; K1047-T1049 PolarHBondContact O-N 2.75Å; T1049-E1052 PolarHBondContact O-N 3.47Å; T1049-R1053 HydrophobicContact CG2-CG 4.24Å; T1049-R1053 WeakPolarHBondContact O-CB 3.42Å; T1049-R1053 WeakPolarHBondContact O-CG 3.21Å; T1049-R1053 PolarHBondContact O-N 2.93Å
1050L91.4Very high90.5Very high0 Ų072.6 Ų72.60%038%0.378CS..Hα-helixtrans-64.4-43.1175.8-72.7172000111.2I1033 T1036 I1037 A1046 K1047 T1048 F1054 L1056 A1061 I1064 L1065I1033-L1050 HydrophobicContact CB-CD2 4.28Å; I1033-L1050 HydrophobicContact CD1-CD2 4.16Å; I1033-L1050 HydrophobicContact CG1-CD2 3.89Å; I1033-L1050 HydrophobicContact CG2-CD2 4.02Å; T1036-L1050 HydrophobicContact CG2-CD2 4.26Å; I1037-L1050 HydrophobicContact CD1-CD1 4.38Å; I1037-L1050 HydrophobicContact CG1-CD1 4.23Å; A1046-L1050 WeakPolarHBondContact O-CB 3.48Å; A1046-L1050 WeakPolarHBondContact O-CG 3.4Å; A1046-L1050 PolarHBondContact O-N 3.16Å; K1047-L1050 PolarHBondContact O-N 2.91Å; T1048-L1050 PolarHBondContact O-N 3.35Å; L1050-F1054 HydrophobicContact CD2-CD2 4Å; L1050-F1054 HydrophobicContact CD2-CE2 3.96Å; L1050-F1054 PolarHBondContact O-N 3.24Å; L1050-F1054 VanDerWaalsContact O-N 3.1Å; L1050-L1056 HydrophobicContact CB-CD1 4.3Å; L1050-A1061 HydrophobicContact CB-CB 4.29Å; L1050-I1064 HydrophobicContact CD1-CG2 4.39Å; L1050-L1065 HydrophobicContact CD1-CD2 3.98Å; L1050-L1065 HydrophobicContact CD1-CG 4.22Å
1051M92.1Very high90.6Very high61 Ų6171.5 Ų71.530%0.337%0.37SS..Hα-helixtrans-60.8-47.2176-68170.560.400111.5K1047 T1048 E1055 L1056 D1058 A1061K1047-M1051 HydrophobicContact CG-SD 4.27Å; K1047-M1051 VanDerWaalsContact O-CG 3.25Å; K1047-M1051 WeakPolarHBondContact O-CG 3.41Å; K1047-M1051 PolarHBondContact O-N 2.79Å; T1048-M1051 PolarHBondContact O-N 3.5Å; M1051-E1055 WeakPolarHBondContact O-CA 3.48Å; M1051-E1055 PolarHBondContact O-N 2.78Å; M1051-L1056 WeakPolarHBondContact CA-O 3.18Å; M1051-L1056 WeakPolarHBondContact CB-O 3.47Å; M1051-L1056 WeakPolarHBondContact CG-O 3.42Å; M1051-L1056 PolarHBondContact O-N 3.49Å; M1051-D1058 HydrophobicContact CE-CB 4.14Å; M1051-D1058 HydrophobicContact SD-CB 4.2Å; M1051-A1061 HydrophobicContact CG-CB 3.66Å; M1051-A1061 HydrophobicContact SD-CB 4.46Å
1052E90.4Very high90.9Very high150 Ų15070 Ų7070%0.70135%0.345SS*.Hα-helixtrans-68.1-40.2-179.2-72.3176.2178.700113.2T1048 T1049T1048-E1052 WeakPolarHBondContact O-CG 3.09Å; T1048-E1052 PolarHBondContact O-N 2.91Å; T1049-E1052 PolarHBondContact O-N 3.47Å
1053R91Very high91Very high165 Ų16568.7 Ų68.762%0.62334%0.338SS*.Hα-helixtrans-81.6-34.4-174-75.4-173.2177.6-175.5-4.3114.6T1036 T1049T1036-R1053 PolarHBondContact OG1-NH1 2.92Å; T1049-R1053 HydrophobicContact CG2-CG 4.24Å; T1049-R1053 WeakPolarHBondContact O-CB 3.42Å; T1049-R1053 WeakPolarHBondContact O-CG 3.21Å; T1049-R1053 PolarHBondContact O-N 2.93Å
1054F90.6Very high91.3Very high26 Ų2662.9 Ų62.911%0.11431%0.306CS..Hα-helixtrans-11512.6-172.5-60.4-77.5000112.6I1025 H1029 E1032 I1033 L1050 L1056I1025-F1054 HydrophobicContact CG2-CB 4.22Å; I1025-F1054 HydrophobicContact CG2-CD1 4.36Å; H1029-F1054 HydrophobicContact CB-CD1 4.25Å; H1029-F1054 HydrophobicContact CB-CE1 3.56Å; H1029-F1054 HydrophobicContact CB-CZ 4.21Å; H1029-F1054 AromaticContact CG-CE1 3.78Å; E1032-F1054 HydrophobicContact CB-CE1 4.45Å; E1032-F1054 HydrophobicContact CB-CZ 3.82Å; I1033-F1054 HydrophobicContact CD1-CE2 4.44Å; I1033-F1054 HydrophobicContact CG1-CD2 4.24Å; I1033-F1054 HydrophobicContact CG1-CE2 3.7Å; I1033-F1054 HydrophobicContact CG1-CZ 3.86Å; L1050-F1054 HydrophobicContact CD2-CD2 4Å; L1050-F1054 HydrophobicContact CD2-CE2 3.96Å; L1050-F1054 PolarHBondContact O-N 3.24Å; L1050-F1054 VanDerWaalsContact O-N 3.1Å; F1054-L1056 HydrophobicContact CB-CD1 3.71Å; F1054-L1056 HydrophobicContact CB-CG 3.72Å; F1054-L1056 HydrophobicContact CG-CD1 4.49Å; F1054-L1056 PolarHBondContact O-N 3.17Å
1055E89.5Confident91.3Very high183 Ų18359 Ų5986%0.85529%0.286SS*.THydrogen-bonded Turntrans53.435.1-178.8-58.9-176171.700113.1M1051M1051-E1055 WeakPolarHBondContact O-CA 3.48Å; M1051-E1055 PolarHBondContact O-N 2.78Å
1056L91.8Very high91.4Very high7 Ų761 Ų614%0.03729%0.294CS..  trans-85.9146.9-176.7-62166.6000111.2I1025 L1050 M1051 F1054 Q1060 I1064I1025-L1056 HydrophobicContact CB-CD2 4.43Å; I1025-L1056 HydrophobicContact CD1-CD2 3.99Å; I1025-L1056 HydrophobicContact CG2-CD2 4.41Å; L1050-L1056 HydrophobicContact CB-CD1 4.3Å; M1051-L1056 WeakPolarHBondContact CA-O 3.18Å; M1051-L1056 WeakPolarHBondContact CB-O 3.47Å; M1051-L1056 WeakPolarHBondContact CG-O 3.42Å; M1051-L1056 PolarHBondContact O-N 3.49Å; F1054-L1056 HydrophobicContact CB-CD1 3.71Å; F1054-L1056 HydrophobicContact CB-CG 3.72Å; F1054-L1056 HydrophobicContact CG-CD1 4.49Å; F1054-L1056 PolarHBondContact O-N 3.17Å; L1056-Q1060 HydrophobicContact CB-CB 4.14Å; L1056-Q1060 HydrophobicContact CD2-CB 4.12Å; L1056-I1064 HydrophobicContact CD1-CD1 3.39Å; L1056-I1064 HydrophobicContact CD2-CD1 4.24Å; L1056-I1064 HydrophobicContact CG-CD1 4.42Å
1057S92.9Very high91.4Very high41 Ų4163 Ų6329%0.28730%0.303SS..  trans-74.4161.3168.689.30000111.9H1018 R1059 Q1060 A1061H1018-S1057 WeakPolarHBondContact NE2-CB 3.46Å; H1018-S1057 PolarHBondContact NE2-OG 3.44Å; S1057-R1059 PolarHBondContact O-N 2.82Å; S1057-R1059 PolarHBondContact OG-N 3.18Å; S1057-Q1060 PolarHBondContact O-N 3.19Å; S1057-Q1060 PolarHBondContact OG-N 3.02Å; S1057-A1061 PolarHBondContact O-N 3.07Å
1058D91.9Very high91.2Very high83 Ų8370 Ų7044%0.44433%0.329SS..Hα-helixtrans-51.3-42.2175.1-178.387.1000112.5K1047 M1051 Q1062K1047-D1058 WeakPolarHBondContact CE-O 3.39Å; K1047-D1058 WeakPolarHBondContact CE-OD1 3.49Å; K1047-D1058 IonicContact NZ-OD1 2.74Å; K1047-D1058 PolarHBondContact NZ-OD1 3.32Å; K1047-D1058 IonicContact NZ-OD2 2.66Å; K1047-D1058 PolarHBondContact NZ-OD2 3.02Å; M1051-D1058 HydrophobicContact CE-CB 4.14Å; M1051-D1058 HydrophobicContact SD-CB 4.2Å; D1058-Q1062 WeakPolarHBondContact O-CB 3.48Å; D1058-Q1062 PolarHBondContact O-N 3.46Å
1059R91.8Very high90.9Very high177 Ų17773.6 Ų73.667%0.66835%0.345SS*.Hα-helixtrans-68.8-38.8178.3-74-173.7166.4-174.7-3.5113I1019 S1057 A1063I1019-R1059 HydrophobicContact CD1-CB 3.93Å; I1019-R1059 WeakPolarHBondContact CD1-O 3.11Å; S1057-R1059 PolarHBondContact O-N 2.82Å; S1057-R1059 PolarHBondContact OG-N 3.18Å; R1059-A1063 WeakPolarHBondContact O-CB 3.4Å; R1059-A1063 PolarHBondContact O-N 3.23Å; R1059-A1063 VanDerWaalsContact O-N 3.08Å
1060Q93.9Very high90.7Very high10 Ų1079.9 Ų79.95%0.04737%0.365CS..Hα-helixtrans-67.2-47.6176-77.9168.6-32.500110.9H1018 L1056 S1057 Q1062 A1063 I1064H1018-Q1060 PolarHBondContact CE1-NE2 3.21Å; H1018-Q1060 VanDerWaalsContact CE1-NE2 3.33Å; H1018-Q1060 WeakPolarHBondContact NE2-CG 3.31Å; H1018-Q1060 PolarHBondContact NE2-NE2 2.86Å; H1018-Q1060 PolarHBondContact NE2-OE1 2.79Å; H1018-Q1060 VanDerWaalsContact O-CG 3.24Å; H1018-Q1060 WeakPolarHBondContact O-CG 3.24Å; H1018-Q1060 PolarHBondContact O-NE2 2.87Å; L1056-Q1060 HydrophobicContact CB-CB 4.14Å; L1056-Q1060 HydrophobicContact CD2-CB 4.12Å; S1057-Q1060 PolarHBondContact O-N 3.19Å; S1057-Q1060 PolarHBondContact OG-N 3.02Å; Q1060-Q1062 VanDerWaalsContact C-N 3.32Å; Q1060-Q1062 PolarHBondContact O-N 2.97Å; Q1060-A1063 PolarHBondContact O-N 3.38Å; Q1060-A1063 VanDerWaalsContact O-N 3.13Å; Q1060-I1064 WeakPolarHBondContact O-CG1 3.22Å; Q1060-I1064 PolarHBondContact O-N 3.39Å
1061A93.1Very high90.2Very high0 Ų083.5 Ų83.50%038%0.379CS..Hα-helixtrans-59.9-42.3178.100000111.5K1047 L1050 M1051 S1057 I1064 L1065K1047-A1061 HydrophobicContact CG-CB 3.71Å; L1050-A1061 HydrophobicContact CB-CB 4.29Å; M1051-A1061 HydrophobicContact CG-CB 3.66Å; M1051-A1061 HydrophobicContact SD-CB 4.46Å; S1057-A1061 PolarHBondContact O-N 3.07Å; A1061-I1064 PolarHBondContact O-N 3.45Å; A1061-L1065 WeakPolarHBondContact O-CG 3.18Å; A1061-L1065 PolarHBondContact O-N 3.4Å
1062Q92.3Very high89.6Confident73 Ų7383.1 Ų83.134%0.34138%0.378SS..Hα-helixtrans-60.7-45.6173.4-170.162.350.400112.1D1058 Q1060 I1064 L1065 D1066D1058-Q1062 WeakPolarHBondContact O-CB 3.48Å; D1058-Q1062 PolarHBondContact O-N 3.46Å; Q1060-Q1062 VanDerWaalsContact C-N 3.32Å; Q1060-Q1062 PolarHBondContact O-N 2.97Å; Q1062-I1064 VanDerWaalsContact C-N 3.25Å; Q1062-I1064 PolarHBondContact O-N 3.42Å; Q1062-L1065 PolarHBondContact O-N 2.85Å; Q1062-L1065 VanDerWaalsContact O-N 3.15Å; Q1062-D1066 PolarHBondContact NE2-OD1 3.19Å; Q1062-D1066 VanDerWaalsContact O-CG 3.26Å; Q1062-D1066 PolarHBondContact O-N 2.94Å
1063A91.9Very high89.2Confident23 Ų2379.4 Ų79.419%0.1937%0.365CS..Hα-helixtrans-63.8-30.4179.800000113.3I1019 R1059 Q1060 M1067I1019-A1063 HydrophobicContact CD1-CB 4.11Å; I1019-A1063 HydrophobicContact CG2-CB 3.64Å; R1059-A1063 WeakPolarHBondContact O-CB 3.4Å; R1059-A1063 PolarHBondContact O-N 3.23Å; R1059-A1063 VanDerWaalsContact O-N 3.08Å; Q1060-A1063 PolarHBondContact O-N 3.38Å; Q1060-A1063 VanDerWaalsContact O-N 3.13Å; A1063-M1067 PolarHBondContact O-N 3.45Å
1064I91.2Very high88.7Confident5 Ų574.5 Ų74.53%0.02637%0.366CS..Hα-helixtrans-70.9-42.7173.4-66.6160.4000110.7L1023 A1026 I1033 L1050 L1056 Q1060 A1061 Q1062 D1066 M1067L1023-I1064 HydrophobicContact CD2-CG1 4.14Å; A1026-I1064 HydrophobicContact CB-CD1 3.79Å; A1026-I1064 HydrophobicContact CB-CG1 3.7Å; A1026-I1064 HydrophobicContact CB-CG2 4.04Å; I1033-I1064 HydrophobicContact CD1-CD1 4.4Å; I1033-I1064 HydrophobicContact CD1-CG2 4.12Å; I1033-I1064 HydrophobicContact CG2-CG2 3.8Å; L1050-I1064 HydrophobicContact CD1-CG2 4.39Å; L1056-I1064 HydrophobicContact CD1-CD1 3.39Å; L1056-I1064 HydrophobicContact CD2-CD1 4.24Å; L1056-I1064 HydrophobicContact CG-CD1 4.42Å; Q1060-I1064 WeakPolarHBondContact O-CG1 3.22Å; Q1060-I1064 PolarHBondContact O-N 3.39Å; A1061-I1064 PolarHBondContact O-N 3.45Å; Q1062-I1064 VanDerWaalsContact C-N 3.25Å; Q1062-I1064 PolarHBondContact O-N 3.42Å; I1064-D1066 VanDerWaalsContact C-N 3.3Å; I1064-D1066 PolarHBondContact O-N 3.37Å; I1064-M1067 WeakPolarHBondContact O-CB 3.3Å; I1064-M1067 PolarHBondContact O-N 2.91Å; I1064-M1067 VanDerWaalsContact O-N 3.14Å
1065L90.6Very high88.3Confident40 Ų4079.1 Ų79.121%0.20939%0.391CS..Hα-helixtrans-63.1-37.3174.9-67.9175.1000112I1037 A1046 K1047 L1050 A1061 Q1062 M1067I1037-L1065 HydrophobicContact CD1-CD2 3.81Å; I1037-L1065 HydrophobicContact CG1-CD2 3.86Å; A1046-L1065 HydrophobicContact CB-CD2 4.09Å; K1047-L1065 HydrophobicContact CB-CD1 3.83Å; K1047-L1065 HydrophobicContact CG-CD1 4.23Å; L1050-L1065 HydrophobicContact CD1-CD2 3.98Å; L1050-L1065 HydrophobicContact CD1-CG 4.22Å; A1061-L1065 WeakPolarHBondContact O-CG 3.18Å; A1061-L1065 PolarHBondContact O-N 3.4Å; Q1062-L1065 PolarHBondContact O-N 2.85Å; Q1062-L1065 VanDerWaalsContact O-N 3.15Å; L1065-M1067 PolarHBondContact O-N 3.04Å
1066D91.4Very high88Confident110 Ų11071.8 Ų71.859%0.58836%0.357SS*.THydrogen-bonded Turntrans-77.3-4177.3-62.8-19.2000113Q1062 I1064 R1068Q1062-D1066 PolarHBondContact NE2-OD1 3.19Å; Q1062-D1066 VanDerWaalsContact O-CG 3.26Å; Q1062-D1066 PolarHBondContact O-N 2.94Å; I1064-D1066 VanDerWaalsContact C-N 3.3Å; I1064-D1066 PolarHBondContact O-N 3.37Å; D1066-R1068 PolarHBondContact O-N 2.9Å
1067M87.8Confident87.7Confident44 Ų4477.6 Ų77.622%0.21738%0.379CS..  trans-68.5125.3-177.6-173.2173.95400111.1L1023 A1063 I1064 L1065 R1071 L1072L1023-M1067 HydrophobicContact CD2-CB 4.45Å; L1023-M1067 HydrophobicContact CD2-CG 4.47Å; L1023-M1067 HydrophobicContact CD2-SD 3.92Å; A1063-M1067 PolarHBondContact O-N 3.45Å; I1064-M1067 WeakPolarHBondContact O-CB 3.3Å; I1064-M1067 PolarHBondContact O-N 2.91Å; I1064-M1067 VanDerWaalsContact O-N 3.14Å; L1065-M1067 PolarHBondContact O-N 3.04Å; M1067-R1071 HydrophobicContact CG-CB 3.75Å; M1067-R1071 HydrophobicContact CG-CG 4.05Å; M1067-R1071 HydrophobicContact SD-CB 3.96Å; M1067-L1072 HydrophobicContact CE-CD2 3.59Å; M1067-L1072 HydrophobicContact SD-CD2 4.04Å
1068R88Confident87.4Confident173 Ų17381.2 Ų81.265%0.65339%0.391SS*.  trans-81.3142.3175.2-59.7-175.7-174.5-179.51.4110.9D1066 R1070 R1071D1066-R1068 PolarHBondContact O-N 2.9Å; R1068-R1070 HydrophobicContact CB-CG 4.21Å; R1068-R1070 PolarHBondContact O-N 3.46Å; R1068-R1071 WeakPolarHBondContact O-CB 3.38Å; R1068-R1071 PolarHBondContact O-N 3.47Å
1069L85.3Confident87.3Confident145 Ų14582.7 Ų82.776%0.75939%0.393SS*.G310 helixtrans-48.8-30.8179.2-67.6172.6000115R1071 L1072L1069-R1071 PolarHBondContact O-N 3.25Å; L1069-L1072 HydrophobicContact CD2-CD1 3.85Å; L1069-L1072 WeakPolarHBondContact O-CB 2.86Å; L1069-L1072 WeakPolarHBondContact O-CG 3.34Å; L1069-L1072 PolarHBondContact O-N 2.92Å; L1069-L1072 VanDerWaalsContact O-N 3.14Å
1070R85.1Confident87.1Confident161 Ų16174.4 Ų74.461%0.60836%0.362SS*.G310 helixtrans-59.5-26.5176.572.4177.9-173.4176.13114.1R1068 L1072 T1073R1068-R1070 HydrophobicContact CB-CG 4.21Å; R1068-R1070 PolarHBondContact O-N 3.46Å; R1070-L1072 PolarHBondContact O-N 3.05Å; R1070-T1073 WeakPolarHBondContact O-CG2 3.41Å; R1070-T1073 PolarHBondContact O-N 2.72Å; R1070-T1073 PolarHBondContact O-OG1 3.43Å; R1070-T1073 VanDerWaalsContact O-OG1 3.13Å
1071R80.7Confident86.9Confident77 Ų7776.9 Ų76.929%0.29137%0.374SS..G310 helixtrans-69.6-13179.8-70.3-68.9-163.7174.710.1112.7M1067 R1068 L1069 T1073 E1076M1067-R1071 HydrophobicContact CG-CB 3.75Å; M1067-R1071 HydrophobicContact CG-CG 4.05Å; M1067-R1071 HydrophobicContact SD-CB 3.96Å; R1068-R1071 WeakPolarHBondContact O-CB 3.38Å; R1068-R1071 PolarHBondContact O-N 3.47Å; L1069-R1071 PolarHBondContact O-N 3.25Å; R1071-T1073 VanDerWaalsContact C-N 3.28Å; R1071-T1073 PolarHBondContact O-N 3.37Å; R1071-E1076 WeakPolarHBondContact CD-OE2 3.46Å; R1071-E1076 IonicContact CZ-OE2 3.38Å; R1071-E1076 IonicContact NE-OE2 3.13Å; R1071-E1076 IonicContact NH1-OE2 2.76Å; R1071-E1076 PolarHBondContact NH1-OE2 3.3Å; R1071-E1076 VanDerWaalsContact O-CB 3.31Å; R1071-E1076 WeakPolarHBondContact O-CB 3.42Å
1072L79.9Confident86.9Confident53 Ų5380.8 Ų80.828%0.27740%0.395SS..G310 helixtrans-85.11.2-178.7-53174.1000113L1027 I1030 M1067 L1069 R1070L1027-L1072 HydrophobicContact CD2-CD2 3.71Å; I1030-L1072 HydrophobicContact CD1-CB 4.1Å; I1030-L1072 HydrophobicContact CD1-CD1 3.96Å; I1030-L1072 HydrophobicContact CD1-CD2 3.49Å; I1030-L1072 VanDerWaalsContact CD1-CD2 3.49Å; I1030-L1072 HydrophobicContact CD1-CG 4.01Å; I1030-L1072 HydrophobicContact CG1-CD2 4.13Å; M1067-L1072 HydrophobicContact CE-CD2 3.59Å; M1067-L1072 HydrophobicContact SD-CD2 4.04Å; L1069-L1072 HydrophobicContact CD2-CD1 3.85Å; L1069-L1072 WeakPolarHBondContact O-CB 2.86Å; L1069-L1072 WeakPolarHBondContact O-CG 3.34Å; L1069-L1072 PolarHBondContact O-N 2.92Å; L1069-L1072 VanDerWaalsContact O-N 3.14Å; R1070-L1072 PolarHBondContact O-N 3.05Å
1073T81.7Confident86.9Confident72 Ų7280 Ų8044%0.44239%0.391SS..SBendtrans-76150.2176.461.10000110.9R1070 R1071 L1075 E1076 R1077R1070-T1073 WeakPolarHBondContact O-CG2 3.41Å; R1070-T1073 PolarHBondContact O-N 2.72Å; R1070-T1073 PolarHBondContact O-OG1 3.43Å; R1070-T1073 VanDerWaalsContact O-OG1 3.13Å; R1071-T1073 VanDerWaalsContact C-N 3.28Å; R1071-T1073 PolarHBondContact O-N 3.37Å; T1073-L1075 VanDerWaalsContact C-N 3.27Å; T1073-L1075 PolarHBondContact O-N 2.87Å; T1073-E1076 PolarHBondContact O-N 2.73Å; T1073-E1076 VanDerWaalsContact OG1-CG 3.3Å; T1073-E1076 WeakPolarHBondContact OG1-CG 3.4Å; T1073-R1077 PolarHBondContact O-N 2.9Å; T1073-R1077 VanDerWaalsContact O-N 3.15Å
1074G80.5Confident86.9Confident62 Ų6280 Ų8064%0.63939%0.386SS*.Hα-helixtrans-55.9-38-178.100000114.1E1076 R1077 E1078G1074-E1076 VanDerWaalsContact C-N 3.33Å; G1074-E1076 PolarHBondContact O-N 3.45Å; G1074-R1077 PolarHBondContact O-N 3.14Å; G1074-E1078 PolarHBondContact O-N 2.88Å; G1074-E1078 VanDerWaalsContact O-N 3.16Å
1075L82Confident87.1Confident122 Ų12283.6 Ų83.664%0.63940%0.403SS*.Hα-helixtrans-64.7-34.4175.8-71.1170.1000112.9T1073 K1079T1073-L1075 VanDerWaalsContact C-N 3.27Å; T1073-L1075 PolarHBondContact O-N 2.87Å; L1075-K1079 VanDerWaalsContact O-CG 3.31Å; L1075-K1079 WeakPolarHBondContact O-CG 3.49Å; L1075-K1079 PolarHBondContact O-N 2.83Å; L1075-K1079 VanDerWaalsContact O-N 3.08Å
1076E85Confident87.2Confident29 Ų2987.7 Ų87.714%0.13642%0.421CS..Hα-helixtrans-76.1-32178.9-71.1-67.6131.900111.8R1071 T1073 G1074 K1079 I1080R1071-E1076 WeakPolarHBondContact CD-OE2 3.46Å; R1071-E1076 IonicContact CZ-OE2 3.38Å; R1071-E1076 IonicContact NE-OE2 3.13Å; R1071-E1076 IonicContact NH1-OE2 2.76Å; R1071-E1076 PolarHBondContact NH1-OE2 3.3Å; R1071-E1076 VanDerWaalsContact O-CB 3.31Å; R1071-E1076 WeakPolarHBondContact O-CB 3.42Å; T1073-E1076 PolarHBondContact O-N 2.73Å; T1073-E1076 VanDerWaalsContact OG1-CG 3.3Å; T1073-E1076 WeakPolarHBondContact OG1-CG 3.4Å; G1074-E1076 VanDerWaalsContact C-N 3.33Å; G1074-E1076 PolarHBondContact O-N 3.45Å; E1076-K1079 PolarHBondContact O-N 3.45Å; E1076-K1079 WeakPolarHBondContact OE1-CD 3.28Å; E1076-K1079 IonicContact OE1-NZ 3.96Å; E1076-K1079 PolarHBondContact OE1-NZ 2.81Å; E1076-I1080 WeakPolarHBondContact O-CG1 3.02Å; E1076-I1080 PolarHBondContact O-N 2.92Å
1077R84.5Confident87.4Confident130 Ų13083.7 Ų83.749%0.49140%0.4SS..Hα-helixtrans-61.6-46.5170.2-176.1175.1-173.1-170.22.3111.3L1027 D1028 T1073 G1074 K1079 I1080 E1081L1027-R1077 HydrophobicContact CD1-CB 4.19Å; L1027-R1077 HydrophobicContact CD1-CG 4.08Å; D1028-R1077 IonicContact OD1-CZ 3.85Å; D1028-R1077 IonicContact OD1-NH2 2.59Å; D1028-R1077 PolarHBondContact OD1-NH2 3.37Å; T1073-R1077 PolarHBondContact O-N 2.9Å; T1073-R1077 VanDerWaalsContact O-N 3.15Å; G1074-R1077 PolarHBondContact O-N 3.14Å; R1077-K1079 VanDerWaalsContact C-N 3.33Å; R1077-K1079 PolarHBondContact O-N 3.07Å; R1077-I1080 PolarHBondContact O-N 2.73Å; R1077-E1081 PolarHBondContact O-N 2.93Å
1078E87.8Confident87.6Confident117 Ų11784.9 Ų84.955%0.54741%0.406SS..Hα-helixtrans-62.2-40.5177.2-169.2-179178.900111.8G1074 I1080 E1081 N1082G1074-E1078 PolarHBondContact O-N 2.88Å; G1074-E1078 VanDerWaalsContact O-N 3.16Å; E1078-I1080 PolarHBondContact O-N 2.71Å; E1078-E1081 PolarHBondContact O-N 3.22Å; E1078-N1082 WeakPolarHBondContact O-CB 3.3Å; E1078-N1082 PolarHBondContact O-N 3.14Å; E1078-N1082 PolarHBondContact O-ND2 3.09Å
1079K89.3Confident88Confident113 Ų11384.1 Ų84.149%0.49141%0.408SS..Hα-helixtrans-61.9-41.9173.7-73.6174.8-168.7173.30112.9L1075 E1076 R1077 N1082 E1083L1075-K1079 VanDerWaalsContact O-CG 3.31Å; L1075-K1079 WeakPolarHBondContact O-CG 3.49Å; L1075-K1079 PolarHBondContact O-N 2.83Å; L1075-K1079 VanDerWaalsContact O-N 3.08Å; E1076-K1079 PolarHBondContact O-N 3.45Å; E1076-K1079 WeakPolarHBondContact OE1-CD 3.28Å; E1076-K1079 IonicContact OE1-NZ 3.96Å; E1076-K1079 PolarHBondContact OE1-NZ 2.81Å; R1077-K1079 VanDerWaalsContact C-N 3.33Å; R1077-K1079 PolarHBondContact O-N 3.07Å; K1079-N1082 PolarHBondContact O-N 3.47Å; K1079-E1083 VanDerWaalsContact O-CB 3.24Å; K1079-E1083 WeakPolarHBondContact O-CB 3.41Å; K1079-E1083 PolarHBondContact O-N 3.29Å
1080I87.7Confident88.4Confident3 Ų380.3 Ų80.32%0.01539%0.391CS..Hα-helixtrans-64.3-43177.6-74.8165.4000110.4L1020 R1024 L1027 E1076 R1077 E1078 Y1084L1020-I1080 HydrophobicContact CD2-CG2 4.24Å; R1024-I1080 HydrophobicContact CG-CG2 3.91Å; L1027-I1080 HydrophobicContact CD1-CD1 3.76Å; E1076-I1080 WeakPolarHBondContact O-CG1 3.02Å; E1076-I1080 PolarHBondContact O-N 2.92Å; R1077-I1080 PolarHBondContact O-N 2.73Å; E1078-I1080 PolarHBondContact O-N 2.71Å; I1080-Y1084 VanDerWaalsContact O-CB 3.3Å; I1080-Y1084 WeakPolarHBondContact O-CB 3.3Å; I1080-Y1084 PolarHBondContact O-N 2.9Å
1081E89Confident88.9Confident63 Ų6373.4 Ų73.429%0.29437%0.366SS..Hα-helixtrans-64.7-47176.9-171.661.6-147.300111.3R1024 R1077 E1078 E1083 Y1084 Q1085R1024-E1081 IonicContact CZ-OE1 2.72Å; R1024-E1081 IonicContact CZ-OE2 3.06Å; R1024-E1081 VanDerWaalsContact CZ-OE2 3.29Å; R1024-E1081 IonicContact NE-OE1 3.66Å; R1024-E1081 IonicContact NE-OE2 3.53Å; R1024-E1081 PolarHBondContact NE-OE2 2.94Å; R1024-E1081 IonicContact NH2-OE1 2.76Å; R1024-E1081 PolarHBondContact NH2-OE1 3.43Å; R1024-E1081 IonicContact NH2-OE2 3.52Å; R1024-E1081 PolarHBondContact NH2-OE2 3.41Å; R1077-E1081 PolarHBondContact O-N 2.93Å; E1078-E1081 PolarHBondContact O-N 3.22Å; E1081-E1083 PolarHBondContact O-N 3.06Å; E1081-Y1084 PolarHBondContact O-N 3.1Å; E1081-Q1085 HydrophobicContact CG-CG 4.47Å; E1081-Q1085 WeakPolarHBondContact O-CG 3.32Å; E1081-Q1085 PolarHBondContact O-N 2.97Å; E1081-Q1085 PolarHBondContact OE1-NE2 3.14Å
1082N92.3Very high89.6Confident81 Ų8173.3 Ų73.343%0.43338%0.377SS..Hα-helixtrans-61.6-45.3178-69.9-18000111.6E1078 K1079 Y1084 Q1085 E1086E1078-N1082 WeakPolarHBondContact O-CB 3.3Å; E1078-N1082 PolarHBondContact O-N 3.14Å; E1078-N1082 PolarHBondContact O-ND2 3.09Å; K1079-N1082 PolarHBondContact O-N 3.47Å; N1082-Y1084 VanDerWaalsContact C-N 3.3Å; N1082-Y1084 PolarHBondContact O-N 3.15Å; N1082-Q1085 PolarHBondContact O-N 3.38Å; N1082-E1086 WeakPolarHBondContact O-CB 3.5Å; N1082-E1086 WeakPolarHBondContact O-CG 3.46Å; N1082-E1086 PolarHBondContact O-N 3.08Å
1083E92.7Very high90.3Very high57 Ų5774.2 Ų74.227%0.26638%0.382SS..Hα-helixtrans-59.9-41.6175.7-169.8-173.5165.500110.7R1016 L1020 K1079 E1081 E1086 L1087R1016-E1083 IonicContact CZ-OE1 2.77Å; R1016-E1083 IonicContact NE-OE1 3.39Å; R1016-E1083 PolarHBondContact NE-OE1 3.3Å; R1016-E1083 IonicContact NH2-OE1 3.81Å; R1016-E1083 PolarHBondContact NH2-OE1 3.03Å; R1016-E1083 IonicContact NH2-OE2 2.8Å; R1016-E1083 PolarHBondContact NH2-OE2 3.45Å; R1016-E1083 VanDerWaalsContact NH2-OE2 3.15Å; L1020-E1083 HydrophobicContact CD1-CB 3.86Å; L1020-E1083 HydrophobicContact CD1-CG 3.66Å; K1079-E1083 VanDerWaalsContact O-CB 3.24Å; K1079-E1083 WeakPolarHBondContact O-CB 3.41Å; K1079-E1083 PolarHBondContact O-N 3.29Å; E1081-E1083 PolarHBondContact O-N 3.06Å; E1083-E1086 PolarHBondContact O-N 3.37Å; E1083-L1087 HydrophobicContact CG-CD1 4.27Å; E1083-L1087 WeakPolarHBondContact O-CB 3.36Å; E1083-L1087 VanDerWaalsContact O-CG 3.23Å; E1083-L1087 WeakPolarHBondContact O-CG 3.23Å; E1083-L1087 PolarHBondContact O-N 3.29Å
1084Y92.8Very high91Very high23 Ų2371.6 Ų71.69%0.0937%0.365CS..Hα-helixtrans-65.3-45.8177.4-178.3-102.7000112.3A1017 L1020 E1021 I1080 E1081 N1082 E1086 L1087 L1088A1017-Y1084 HydrophobicContact CB-CD2 4.3Å; A1017-Y1084 HydrophobicContact CB-CE2 4.14Å; L1020-Y1084 HydrophobicContact CB-CD2 3.96Å; E1021-Y1084 HydrophobicContact CB-CE2 4.11Å; I1080-Y1084 VanDerWaalsContact O-CB 3.3Å; I1080-Y1084 WeakPolarHBondContact O-CB 3.3Å; I1080-Y1084 PolarHBondContact O-N 2.9Å; E1081-Y1084 PolarHBondContact O-N 3.1Å; N1082-Y1084 VanDerWaalsContact C-N 3.3Å; N1082-Y1084 PolarHBondContact O-N 3.15Å; Y1084-E1086 PolarHBondContact O-N 3.06Å; Y1084-L1087 PolarHBondContact O-N 2.86Å; Y1084-L1088 HydrophobicContact CD1-CD1 4.04Å; Y1084-L1088 HydrophobicContact CD1-CG 4.39Å; Y1084-L1088 HydrophobicContact CE1-CD1 3.48Å; Y1084-L1088 VanDerWaalsContact CE1-CD1 3.48Å; Y1084-L1088 HydrophobicContact CE1-CG 4.03Å; Y1084-L1088 WeakPolarHBondContact O-CG 3.24Å; Y1084-L1088 PolarHBondContact O-N 3.29Å
1085Q93.9Very high91.7Very high80 Ų8072.8 Ų72.837%0.37435%0.354SS..Hα-helixtrans-65.3-36.9177.8-65.7-59.2-31.600112.3E1081 N1082 L1088 K1089E1081-Q1085 HydrophobicContact CG-CG 4.47Å; E1081-Q1085 WeakPolarHBondContact O-CG 3.32Å; E1081-Q1085 PolarHBondContact O-N 2.97Å; E1081-Q1085 PolarHBondContact OE1-NE2 3.14Å; N1082-Q1085 PolarHBondContact O-N 3.38Å; Q1085-L1088 PolarHBondContact O-N 2.9Å; Q1085-K1089 WeakPolarHBondContact O-CG 3.44Å; Q1085-K1089 PolarHBondContact O-N 3.2Å; Q1085-K1089 VanDerWaalsContact O-N 3.16Å
1086E94.5Very high92.3Very high126 Ų12669.1 Ų69.159%0.58934%0.335SS*.Hα-helixtrans-65.8-40.6172.9-75.5178.4178.400112N1082 E1083 Y1084 K1089 T1090N1082-E1086 WeakPolarHBondContact O-CB 3.5Å; N1082-E1086 WeakPolarHBondContact O-CG 3.46Å; N1082-E1086 PolarHBondContact O-N 3.08Å; E1083-E1086 PolarHBondContact O-N 3.37Å; Y1084-E1086 PolarHBondContact O-N 3.06Å; E1086-K1089 PolarHBondContact O-N 3.16Å; E1086-T1090 WeakPolarHBondContact O-CB 3.4Å; E1086-T1090 PolarHBondContact O-N 2.74Å; E1086-T1090 PolarHBondContact O-OG1 3.35Å
1087L94.1Very high92.7Very high27 Ų2768.2 Ų68.214%0.14133%0.331CS..Hα-helixtrans-65-40.4175.1-75.1168.7000112A1013 R1016 A1017 L1020 E1083 Y1084 K1089 T1090 I1091A1013-L1087 HydrophobicContact CB-CD2 4.04Å; R1016-L1087 HydrophobicContact CB-CD1 3.94Å; R1016-L1087 HydrophobicContact CG-CD1 3.47Å; R1016-L1087 VanDerWaalsContact CG-CD1 3.47Å; A1017-L1087 HydrophobicContact CB-CB 4.37Å; A1017-L1087 HydrophobicContact CB-CD1 4.48Å; L1020-L1087 HydrophobicContact CD1-CD1 3.64Å; E1083-L1087 HydrophobicContact CG-CD1 4.27Å; E1083-L1087 WeakPolarHBondContact O-CB 3.36Å; E1083-L1087 VanDerWaalsContact O-CG 3.23Å; E1083-L1087 WeakPolarHBondContact O-CG 3.23Å; E1083-L1087 PolarHBondContact O-N 3.29Å; Y1084-L1087 PolarHBondContact O-N 2.86Å; L1087-K1089 VanDerWaalsContact C-N 3.34Å; L1087-K1089 PolarHBondContact O-N 2.81Å; L1087-T1090 WeakPolarHBondContact O-CB 3.46Å; L1087-T1090 PolarHBondContact O-N 2.98Å; L1087-I1091 WeakPolarHBondContact O-CB 3.34Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.28Å; L1087-I1091 PolarHBondContact O-N 3.49Å
1088L93.5Very high93.2Very high69 Ų6965 Ų6536%0.36132%0.323SS..Hα-helixtrans-61.2-42.1174.9-71.7-177.7000112Y1084 Q1085 T1090 I1091 S1092Y1084-L1088 HydrophobicContact CD1-CD1 4.04Å; Y1084-L1088 HydrophobicContact CD1-CG 4.39Å; Y1084-L1088 HydrophobicContact CE1-CD1 3.48Å; Y1084-L1088 VanDerWaalsContact CE1-CD1 3.48Å; Y1084-L1088 HydrophobicContact CE1-CG 4.03Å; Y1084-L1088 WeakPolarHBondContact O-CG 3.24Å; Y1084-L1088 PolarHBondContact O-N 3.29Å; Q1085-L1088 PolarHBondContact O-N 2.9Å; L1088-T1090 VanDerWaalsContact C-N 3.34Å; L1088-I1091 PolarHBondContact O-N 2.83Å; L1088-S1092 WeakPolarHBondContact O-CB 3.24Å; L1088-S1092 PolarHBondContact O-N 3.43Å
1089K95.3Very high93.5Very high156 Ų15663.1 Ų63.168%0.67833%0.328SS*.Hα-helixtrans-61.8-43.1173.4-70.6174.4-177.4176.20111.7Q1085 E1086 L1087 S1092 D1093Q1085-K1089 WeakPolarHBondContact O-CG 3.44Å; Q1085-K1089 PolarHBondContact O-N 3.2Å; Q1085-K1089 VanDerWaalsContact O-N 3.16Å; E1086-K1089 PolarHBondContact O-N 3.16Å; L1087-K1089 VanDerWaalsContact C-N 3.34Å; L1087-K1089 PolarHBondContact O-N 2.81Å; K1089-S1092 PolarHBondContact O-N 3.22Å; K1089-D1093 PolarHBondContact O-N 3.05Å
1090T94.6Very high93.7Very high66 Ų6663 Ų6341%0.40532%0.324SS..Hα-helixtrans-64.8-45.5178.8-54.90000111.2E1086 L1087 L1088 S1092 D1093 L1094E1086-T1090 WeakPolarHBondContact O-CB 3.4Å; E1086-T1090 PolarHBondContact O-N 2.74Å; E1086-T1090 PolarHBondContact O-OG1 3.35Å; L1087-T1090 WeakPolarHBondContact O-CB 3.46Å; L1087-T1090 PolarHBondContact O-N 2.98Å; L1088-T1090 VanDerWaalsContact C-N 3.34Å; T1090-S1092 VanDerWaalsContact C-N 3.32Å; T1090-S1092 PolarHBondContact O-N 3.27Å; T1090-D1093 PolarHBondContact O-N 3.43Å; T1090-L1094 HydrophobicContact CG2-CD1 3.87Å; T1090-L1094 HydrophobicContact CG2-CG 4.33Å; T1090-L1094 WeakPolarHBondContact O-CB 3.33Å; T1090-L1094 WeakPolarHBondContact O-CG 3.41Å; T1090-L1094 PolarHBondContact O-N 3.44Å
1091I94.8Very high93.8Very high16 Ų1667 Ų678%0.08235%0.35CS..Hα-helixtrans-60.7-44.8176.8-68.5162.4000109.7A1013 E1014 A1017 L1087 L1088 D1093 L1094 E1095A1013-I1091 HydrophobicContact CB-CD1 4.27Å; A1013-I1091 HydrophobicContact CB-CG1 3.69Å; E1014-I1091 HydrophobicContact CG-CD1 4.01Å; E1014-I1091 HydrophobicContact CG-CG1 4.22Å; E1014-I1091 HydrophobicContact CG-CG2 4.27Å; A1017-I1091 HydrophobicContact CB-CD1 3.91Å; L1087-I1091 WeakPolarHBondContact O-CB 3.34Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.28Å; L1087-I1091 PolarHBondContact O-N 3.49Å; L1088-I1091 PolarHBondContact O-N 2.83Å; I1091-D1093 VanDerWaalsContact C-N 3.33Å; I1091-D1093 PolarHBondContact O-N 3.19Å; I1091-L1094 PolarHBondContact O-N 2.82Å; I1091-E1095 HydrophobicContact CG2-CG 4.31Å; I1091-E1095 WeakPolarHBondContact O-CB 3.5Å; I1091-E1095 VanDerWaalsContact O-CG 3.31Å; I1091-E1095 WeakPolarHBondContact O-CG 3.38Å; I1091-E1095 PolarHBondContact O-N 2.74Å
1092S95.8Very high93.9Very high75 Ų7570 Ų7052%0.52436%0.364SS..Hα-helixtrans-60.7-38.9176.8-175.90000112.8L1088 K1089 T1090 D1096L1088-S1092 WeakPolarHBondContact O-CB 3.24Å; L1088-S1092 PolarHBondContact O-N 3.43Å; K1089-S1092 PolarHBondContact O-N 3.22Å; T1090-S1092 VanDerWaalsContact C-N 3.32Å; T1090-S1092 PolarHBondContact O-N 3.27Å; S1092-D1096 VanDerWaalsContact O-CB 3.32Å; S1092-D1096 WeakPolarHBondContact O-CB 3.26Å; S1092-D1096 PolarHBondContact O-N 2.89Å
1093D95Very high94Very high71 Ų7168.5 Ų68.538%0.3835%0.353SS..Hα-helixtrans-70.2-40.8175.4-178.562.5000111.9K1089 T1090 I1091 E1095 D1096 I1097 R1103K1089-D1093 PolarHBondContact O-N 3.05Å; T1090-D1093 PolarHBondContact O-N 3.43Å; I1091-D1093 VanDerWaalsContact C-N 3.33Å; I1091-D1093 PolarHBondContact O-N 3.19Å; D1093-E1095 VanDerWaalsContact C-N 3.35Å; D1093-E1095 PolarHBondContact O-N 3.32Å; D1093-D1096 WeakPolarHBondContact O-CB 3.42Å; D1093-D1096 PolarHBondContact O-N 2.65Å; D1093-I1097 VanDerWaalsContact O-CG1 3.29Å; D1093-I1097 WeakPolarHBondContact O-CG1 3.22Å; D1093-I1097 PolarHBondContact O-N 2.77Å; D1093-R1103 IonicContact OD1-NH2 3.81Å; D1093-R1103 PolarHBondContact OD1-NH2 3.32Å
1094L95.6Very high94.1Very high17 Ų1766.2 Ų66.29%0.08934%0.343CS..Hα-helixtrans-65.7-37.8175.9-66.3168.2000111.9T1006 D1009 K1010 A1013 T1090 I1091 D1096 I1097 L1098T1006-L1094 HydrophobicContact CG2-CB 4.08Å; T1006-L1094 HydrophobicContact CG2-CD2 3.67Å; T1006-L1094 HydrophobicContact CG2-CG 4.5Å; T1006-L1094 WeakPolarHBondContact CG2-O 3.36Å; D1009-L1094 HydrophobicContact CB-CD1 4.24Å; D1009-L1094 HydrophobicContact CB-CD2 4.3Å; K1010-L1094 HydrophobicContact CB-CB 4.11Å; K1010-L1094 HydrophobicContact CB-CD1 4.09Å; A1013-L1094 HydrophobicContact CB-CD1 4.49Å; T1090-L1094 HydrophobicContact CG2-CD1 3.87Å; T1090-L1094 HydrophobicContact CG2-CG 4.33Å; T1090-L1094 WeakPolarHBondContact O-CB 3.33Å; T1090-L1094 WeakPolarHBondContact O-CG 3.41Å; T1090-L1094 PolarHBondContact O-N 3.44Å; I1091-L1094 PolarHBondContact O-N 2.82Å; L1094-D1096 VanDerWaalsContact C-N 3.34Å; L1094-I1097 PolarHBondContact O-N 2.53Å; L1094-L1098 VanDerWaalsContact O-CG 3.31Å; L1094-L1098 WeakPolarHBondContact O-CG 3.49Å; L1094-L1098 PolarHBondContact O-N 3.14Å
1095E94.8Very high94Very high87 Ų8767.3 Ų67.341%0.40735%0.348SS..Hα-helixtrans-63.8-41.1172.1-77.6-174149.700112.1K1010 I1091 D1093 L1098 A1099K1010-E1095 HydrophobicContact CD-CG 3.97Å; K1010-E1095 WeakPolarHBondContact CE-OE1 3.49Å; K1010-E1095 IonicContact NZ-OE1 2.95Å; K1010-E1095 PolarHBondContact NZ-OE1 2.87Å; I1091-E1095 HydrophobicContact CG2-CG 4.31Å; I1091-E1095 WeakPolarHBondContact O-CB 3.5Å; I1091-E1095 VanDerWaalsContact O-CG 3.31Å; I1091-E1095 WeakPolarHBondContact O-CG 3.38Å; I1091-E1095 PolarHBondContact O-N 2.74Å; D1093-E1095 VanDerWaalsContact C-N 3.35Å; D1093-E1095 PolarHBondContact O-N 3.32Å; E1095-L1098 PolarHBondContact O-N 3.11Å; E1095-A1099 VanDerWaalsContact O-CB 3.26Å; E1095-A1099 WeakPolarHBondContact O-CB 3.24Å; E1095-A1099 PolarHBondContact O-N 2.84Å
1096D94.9Very high94.1Very high46 Ų4668.1 Ų68.125%0.24635%0.352CS..Hα-helixtrans-62.8-42.5175.3177.779.5000112.3S1092 D1093 L1094 A1099 R1100 R1103S1092-D1096 VanDerWaalsContact O-CB 3.32Å; S1092-D1096 WeakPolarHBondContact O-CB 3.26Å; S1092-D1096 PolarHBondContact O-N 2.89Å; D1093-D1096 WeakPolarHBondContact O-CB 3.42Å; D1093-D1096 PolarHBondContact O-N 2.65Å; L1094-D1096 VanDerWaalsContact C-N 3.34Å; D1096-A1099 PolarHBondContact O-N 2.99Å; D1096-R1100 WeakPolarHBondContact O-CB 3.25Å; D1096-R1100 PolarHBondContact O-N 3.04Å; D1096-R1100 VanDerWaalsContact O-N 3.08Å; D1096-R1100 IonicContact OD1-CZ 3.37Å; D1096-R1100 IonicContact OD1-NE 3.57Å; D1096-R1100 PolarHBondContact OD1-NE 3.39Å; D1096-R1100 IonicContact OD1-NH2 2.69Å; D1096-R1100 PolarHBondContact OD1-NH2 2.83Å; D1096-R1100 IonicContact OD2-CZ 2.73Å; D1096-R1100 IonicContact OD2-NE 3.78Å; D1096-R1100 PolarHBondContact OD2-NE 2.6Å; D1096-R1100 IonicContact OD2-NH2 3.58Å; D1096-R1100 PolarHBondContact OD2-NH2 2.92Å; D1096-R1103 IonicContact OD2-CZ 3.74Å; D1096-R1103 IonicContact OD2-NE 3.78Å; D1096-R1103 PolarHBondContact OD2-NE 2.92Å
1097I94.5Very high94.1Very high10 Ų1063.6 Ų63.65%0.05133%0.332CS..Hα-helixtrans-62.4-42.2174.6-66.5161.6000111.1T1006 D1093 L1094 R1103 V1104 I1107T1006-I1097 HydrophobicContact CG2-CB 4Å; T1006-I1097 HydrophobicContact CG2-CG2 3.84Å; D1093-I1097 VanDerWaalsContact O-CG1 3.29Å; D1093-I1097 WeakPolarHBondContact O-CG1 3.22Å; D1093-I1097 PolarHBondContact O-N 2.77Å; L1094-I1097 PolarHBondContact O-N 2.53Å; I1097-R1103 HydrophobicContact CB-CB 4.47Å; I1097-R1103 HydrophobicContact CG1-CB 4.26Å; I1097-V1104 HydrophobicContact CG2-CG2 3.94Å; I1097-I1107 HydrophobicContact CD1-CD1 3.82Å; I1097-I1107 HydrophobicContact CG1-CD1 4Å; I1097-I1107 HydrophobicContact CG2-CD1 3.78Å
1098L94.1Very high94.1Very high61 Ų6162.5 Ų62.532%0.31933%0.326SS..Hα-helixtrans-72.3-28.2179-68.5173.4000113.2T1003 T1006 I1007 K1010 L1094 E1095T1003-L1098 HydrophobicContact CG2-CD2 3.99Å; T1006-L1098 HydrophobicContact CG2-CD1 4.21Å; T1006-L1098 HydrophobicContact CG2-CD2 3.84Å; T1006-L1098 HydrophobicContact CG2-CG 3.66Å; I1007-L1098 HydrophobicContact CD1-CD2 4.44Å; I1007-L1098 HydrophobicContact CG1-CD1 3.97Å; I1007-L1098 HydrophobicContact CG1-CD2 3.73Å; K1010-L1098 HydrophobicContact CD-CD1 3.88Å; L1094-L1098 VanDerWaalsContact O-CG 3.31Å; L1094-L1098 WeakPolarHBondContact O-CG 3.49Å; L1094-L1098 PolarHBondContact O-N 3.14Å; E1095-L1098 PolarHBondContact O-N 3.11Å
1099A94.7Very high94.2Very high78 Ų7862.7 Ų62.765%0.64532%0.322SS*.Hα-helixtrans-81.6-25.4179.700000113.2E1095 D1096E1095-A1099 VanDerWaalsContact O-CB 3.26Å; E1095-A1099 WeakPolarHBondContact O-CB 3.24Å; E1095-A1099 PolarHBondContact O-N 2.84Å; D1096-A1099 PolarHBondContact O-N 2.99Å
1100R92.6Very high94.2Very high111 Ų11158.7 Ų58.742%0.41931%0.31SS..  trans-120.8103.3-174-65.4-166.4-70.5157.8-9.4111.7D1096 E1102 R1103D1096-R1100 WeakPolarHBondContact O-CB 3.25Å; D1096-R1100 PolarHBondContact O-N 3.04Å; D1096-R1100 VanDerWaalsContact O-N 3.08Å; D1096-R1100 IonicContact OD1-CZ 3.37Å; D1096-R1100 IonicContact OD1-NE 3.57Å; D1096-R1100 PolarHBondContact OD1-NE 3.39Å; D1096-R1100 IonicContact OD1-NH2 2.69Å; D1096-R1100 PolarHBondContact OD1-NH2 2.83Å; D1096-R1100 IonicContact OD2-CZ 2.73Å; D1096-R1100 IonicContact OD2-NE 3.78Å; D1096-R1100 PolarHBondContact OD2-NE 2.6Å; D1096-R1100 IonicContact OD2-NH2 3.58Å; D1096-R1100 PolarHBondContact OD2-NH2 2.92Å; R1100-E1102 PolarHBondContact O-N 3.38Å; R1100-E1102 VanDerWaalsContact O-N 3.09Å; R1100-R1103 HydrophobicContact CB-CB 4.33Å; R1100-R1103 HydrophobicContact CB-CG 3.85Å; R1100-R1103 WeakPolarHBondContact O-CB 3.03Å; R1100-R1103 PolarHBondContact O-N 3.19Å
1101P90Very high94.3Very high87 Ų8756.6 Ų56.657%0.56530%0.296SS*.Hα-helixtrans-53.4-30.4176.3-26.535.5000113.7R1103 V1104 E1105P1101-R1103 VanDerWaalsContact C-N 3.27Å; P1101-R1103 PolarHBondContact O-N 3.03Å; P1101-V1104 WeakPolarHBondContact O-CB 3.13Å; P1101-V1104 PolarHBondContact O-N 3.02Å; P1101-V1104 VanDerWaalsContact O-N 3.14Å; P1101-E1105 PolarHBondContact O-N 3.26Å; P1101-E1105 VanDerWaalsContact O-N 3.12Å
1102E91.8Very high94.3Very high125 Ų12556.2 Ų56.258%0.58429%0.294SS*.Hα-helixtrans-63.4-33178.4-53.681.3-176.800112R1100 E1105 E1106R1100-E1102 PolarHBondContact O-N 3.38Å; R1100-E1102 VanDerWaalsContact O-N 3.09Å; E1102-E1105 PolarHBondContact O-N 2.56Å; E1102-E1106 WeakPolarHBondContact O-CB 3.42Å; E1102-E1106 PolarHBondContact O-N 3.04Å
1103R93.8Very high94.3Very high51 Ų5155.3 Ų55.319%0.19229%0.291CS..Hα-helixtrans-68.9-37175.4-69.3-78.2-75.51511.6111.4D1093 D1096 I1097 R1100 P1101 E1105 E1106 I1107D1093-R1103 IonicContact OD1-NH2 3.81Å; D1093-R1103 PolarHBondContact OD1-NH2 3.32Å; D1096-R1103 IonicContact OD2-CZ 3.74Å; D1096-R1103 IonicContact OD2-NE 3.78Å; D1096-R1103 PolarHBondContact OD2-NE 2.92Å; I1097-R1103 HydrophobicContact CB-CB 4.47Å; I1097-R1103 HydrophobicContact CG1-CB 4.26Å; R1100-R1103 HydrophobicContact CB-CB 4.33Å; R1100-R1103 HydrophobicContact CB-CG 3.85Å; R1100-R1103 WeakPolarHBondContact O-CB 3.03Å; R1100-R1103 PolarHBondContact O-N 3.19Å; P1101-R1103 VanDerWaalsContact C-N 3.27Å; P1101-R1103 PolarHBondContact O-N 3.03Å; R1103-E1105 VanDerWaalsContact C-N 3.32Å; R1103-E1106 IonicContact CZ-OE2 3.46Å; R1103-E1106 IonicContact NH1-OE2 2.79Å; R1103-E1106 PolarHBondContact NH1-OE2 2.93Å; R1103-E1106 PolarHBondContact O-N 3.32Å; R1103-I1107 WeakPolarHBondContact O-CD1 3.45Å; R1103-I1107 VanDerWaalsContact O-CG1 3.24Å; R1103-I1107 WeakPolarHBondContact O-CG1 3.41Å; R1103-I1107 PolarHBondContact O-N 2.81Å; R1103-I1107 VanDerWaalsContact O-N 3.08Å
1104V94.1Very high94.3Very high9 Ų957.2 Ų57.26%0.05530%0.298CS..Hα-helixtrans-62.6-44174176.50000109.9K999 I1002 I1097 P1101 I1107 I1108K999-V1104 HydrophobicContact CB-CG1 4.47Å; K999-V1104 HydrophobicContact CG-CG1 4.33Å; I1002-V1104 HydrophobicContact CB-CG1 4.08Å; I1002-V1104 HydrophobicContact CG2-CG1 3.91Å; I1097-V1104 HydrophobicContact CG2-CG2 3.94Å; P1101-V1104 WeakPolarHBondContact O-CB 3.13Å; P1101-V1104 PolarHBondContact O-N 3.02Å; P1101-V1104 VanDerWaalsContact O-N 3.14Å; V1104-I1107 PolarHBondContact O-N 3.49Å; V1104-I1108 HydrophobicContact CG1-CD1 4.39Å; V1104-I1108 WeakPolarHBondContact O-CG1 3.22Å; V1104-I1108 PolarHBondContact O-N 3.2Å; V1104-I1108 VanDerWaalsContact O-N 3.07Å
1105E92.7Very high94.3Very high45 Ų4556.6 Ų56.621%0.2130%0.295CS..Hα-helixtrans-64.6-41.2176.7-69.4-172.9177.500112.9M839 K999 P1101 E1102 R1103 I1107 I1108 R1109M839-E1105 HydrophobicContact CE-CB 3.49Å; M839-E1105 VanDerWaalsContact CE-CB 3.49Å; M839-E1105 HydrophobicContact CE-CG 3.74Å; M839-E1105 WeakPolarHBondContact CE-O 3.47Å; K999-E1105 VanDerWaalsContact CE-OE1 3.24Å; K999-E1105 WeakPolarHBondContact CE-OE1 3.33Å; K999-E1105 IonicContact NZ-OE1 3.52Å; K999-E1105 PolarHBondContact NZ-OE1 2.88Å; P1101-E1105 PolarHBondContact O-N 3.26Å; P1101-E1105 VanDerWaalsContact O-N 3.12Å; E1102-E1105 PolarHBondContact O-N 2.56Å; R1103-E1105 VanDerWaalsContact C-N 3.32Å; E1105-I1107 VanDerWaalsContact C-N 3.28Å; E1105-I1107 PolarHBondContact O-N 2.71Å; E1105-I1108 PolarHBondContact O-N 2.95Å; E1105-R1109 WeakPolarHBondContact O-CG 3.38Å; E1105-R1109 PolarHBondContact O-N 2.84Å
1106E94.3Very high94.3Very high98 Ų9853 Ų5346%0.45828%0.28SS..Hα-helixtrans-57-41.7173.7-174-175.1-170.700111.6E1102 R1103 R1109 T1110E1102-E1106 WeakPolarHBondContact O-CB 3.42Å; E1102-E1106 PolarHBondContact O-N 3.04Å; R1103-E1106 IonicContact CZ-OE2 3.46Å; R1103-E1106 IonicContact NH1-OE2 2.79Å; R1103-E1106 PolarHBondContact NH1-OE2 2.93Å; R1103-E1106 PolarHBondContact O-N 3.32Å; E1106-R1109 PolarHBondContact O-N 3.48Å; E1106-T1110 WeakPolarHBondContact O-CB 3.31Å; E1106-T1110 PolarHBondContact O-N 2.94Å; E1106-T1110 PolarHBondContact O-OG1 3.48Å
1107I95.3Very high94.3Very high31 Ų3154.8 Ų54.816%0.15930%0.301CS..Hα-helixtrans-65.7-43.5176.8-65.1162.8000110.9I1002 I1097 R1103 V1104 E1105 R1109 T1110 E1111I1002-I1107 HydrophobicContact CD1-CB 4.33Å; I1002-I1107 HydrophobicContact CD1-CG2 3.89Å; I1002-I1107 HydrophobicContact CG1-CG2 4.49Å; I1002-I1107 HydrophobicContact CG2-CD1 4.26Å; I1002-I1107 HydrophobicContact CG2-CG2 4.28Å; I1097-I1107 HydrophobicContact CD1-CD1 3.82Å; I1097-I1107 HydrophobicContact CG1-CD1 4Å; I1097-I1107 HydrophobicContact CG2-CD1 3.78Å; R1103-I1107 WeakPolarHBondContact O-CD1 3.45Å; R1103-I1107 VanDerWaalsContact O-CG1 3.24Å; R1103-I1107 WeakPolarHBondContact O-CG1 3.41Å; R1103-I1107 PolarHBondContact O-N 2.81Å; R1103-I1107 VanDerWaalsContact O-N 3.08Å; V1104-I1107 PolarHBondContact O-N 3.49Å; E1105-I1107 VanDerWaalsContact C-N 3.28Å; E1105-I1107 PolarHBondContact O-N 2.71Å; I1107-R1109 PolarHBondContact O-N 3.41Å; I1107-T1110 PolarHBondContact O-N 2.88Å; I1107-E1111 HydrophobicContact CG2-CG 4.12Å; I1107-E1111 WeakPolarHBondContact O-CB 3.48Å; I1107-E1111 VanDerWaalsContact O-CG 3.3Å; I1107-E1111 WeakPolarHBondContact O-CG 3.44Å; I1107-E1111 PolarHBondContact O-N 2.85Å
1108I94.9Very high94.4Very high3 Ų360.7 Ų60.72%0.01533%0.326CS..Hα-helixtrans-57.5-49.8176.9-65.4170.1000110.2M839 Q998 K999 I1002 V1104 E1105 T1110 E1111 L1112M839-I1108 HydrophobicContact CE-CB 4.03Å; M839-I1108 HydrophobicContact CE-CD1 4.38Å; M839-I1108 HydrophobicContact CE-CG2 4.13Å; M839-I1108 HydrophobicContact SD-CB 4.43Å; M839-I1108 HydrophobicContact SD-CG2 3.89Å; Q998-I1108 HydrophobicContact CB-CD1 3.91Å; Q998-I1108 HydrophobicContact CB-CG1 4.06Å; Q998-I1108 HydrophobicContact CB-CG2 4.45Å; K999-I1108 HydrophobicContact CG-CD1 3.69Å; I1002-I1108 HydrophobicContact CD1-CB 4.26Å; I1002-I1108 HydrophobicContact CD1-CD1 4.13Å; I1002-I1108 HydrophobicContact CD1-CG1 3.18Å; V1104-I1108 HydrophobicContact CG1-CD1 4.39Å; V1104-I1108 WeakPolarHBondContact O-CG1 3.22Å; V1104-I1108 PolarHBondContact O-N 3.2Å; V1104-I1108 VanDerWaalsContact O-N 3.07Å; E1105-I1108 PolarHBondContact O-N 2.95Å; I1108-T1110 PolarHBondContact O-N 3.33Å; I1108-E1111 PolarHBondContact O-N 2.81Å; I1108-L1112 HydrophobicContact CG2-CD1 3.75Å; I1108-L1112 HydrophobicContact CG2-CG 4.42Å; I1108-L1112 WeakPolarHBondContact O-CB 3.5Å; I1108-L1112 WeakPolarHBondContact O-CG 3.33Å; I1108-L1112 PolarHBondContact O-N 3.5Å
1109R94.5Very high94.5Very high74 Ų7459.6 Ų59.628%0.27932%0.319SS..Hα-helixtrans-60.8-46.8-179.5-66.5-175.8-155-164.22.6111.4M839 E840 E1105 E1106 I1107 L1112 A1113M839-R1109 HydrophobicContact CE-CG 3.92Å; M839-R1109 HydrophobicContact SD-CG 3.98Å; E840-R1109 IonicContact OE1-NH1 3.35Å; E840-R1109 PolarHBondContact OE1-NH1 2.93Å; E1105-R1109 WeakPolarHBondContact O-CG 3.38Å; E1105-R1109 PolarHBondContact O-N 2.84Å; E1106-R1109 PolarHBondContact O-N 3.48Å; I1107-R1109 PolarHBondContact O-N 3.41Å; R1109-L1112 PolarHBondContact O-N 3.43Å; R1109-A1113 VanDerWaalsContact O-CB 3.28Å; R1109-A1113 WeakPolarHBondContact O-CB 3.46Å; R1109-A1113 PolarHBondContact O-N 3.35Å
1110T96.2Very high94.4Very high71 Ų7156.4 Ų56.444%0.43629%0.293SS..Hα-helixtrans-61.1-48.1179.8-55.60000111.3E1106 I1107 I1108 L1112 A1113 E1114E1106-T1110 WeakPolarHBondContact O-CB 3.31Å; E1106-T1110 PolarHBondContact O-N 2.94Å; E1106-T1110 PolarHBondContact O-OG1 3.48Å; I1107-T1110 PolarHBondContact O-N 2.88Å; I1108-T1110 PolarHBondContact O-N 3.33Å; T1110-L1112 PolarHBondContact O-N 3.04Å; T1110-A1113 PolarHBondContact O-N 2.88Å; T1110-E1114 WeakPolarHBondContact O-CG 3.5Å; T1110-E1114 PolarHBondContact O-N 3.48Å
1111E95.5Very high94.5Very high23 Ų2353.3 Ų53.311%0.10729%0.285CS..Hα-helixtrans-65.8-39.7-179.1-69.8-175.8159.100112.1R803 R1005 I1107 I1108 I1115R803-E1111 VanDerWaalsContact CZ-CD 3.43Å; R803-E1111 IonicContact CZ-OE1 2.98Å; R803-E1111 VanDerWaalsContact CZ-OE1 3.26Å; R803-E1111 IonicContact CZ-OE2 2.87Å; R803-E1111 IonicContact NE-OE2 2.65Å; R803-E1111 IonicContact NH1-OE1 2.7Å; R803-E1111 PolarHBondContact NH1-OE1 2.69Å; R803-E1111 IonicContact NH1-OE2 3.61Å; R803-E1111 PolarHBondContact NH1-OE2 3.4Å; R803-E1111 IonicContact NH2-OE1 2.84Å; R803-E1111 PolarHBondContact NH2-OE1 2.93Å; R803-E1111 IonicContact NH2-OE2 3.14Å; R803-E1111 PolarHBondContact NH2-OE2 2.91Å; R1005-E1111 IonicContact CZ-OE1 3.51Å; R1005-E1111 IonicContact NH1-OE1 2.97Å; R1005-E1111 PolarHBondContact NH1-OE1 2.87Å; R1005-E1111 IonicContact NH2-OE1 3.22Å; R1005-E1111 PolarHBondContact NH2-OE1 2.58Å; R1005-E1111 IonicContact NH2-OE2 3.31Å; I1107-E1111 HydrophobicContact CG2-CG 4.12Å; I1107-E1111 WeakPolarHBondContact O-CB 3.48Å; I1107-E1111 VanDerWaalsContact O-CG 3.3Å; I1107-E1111 WeakPolarHBondContact O-CG 3.44Å; I1107-E1111 PolarHBondContact O-N 2.85Å; I1108-E1111 PolarHBondContact O-N 2.81Å; E1111-I1115 VanDerWaalsContact O-CG1 3.3Å; E1111-I1115 WeakPolarHBondContact O-CG1 3.38Å; E1111-I1115 PolarHBondContact O-N 2.82Å; E1111-I1115 VanDerWaalsContact O-N 3.14Å
1112L95.3Very high94.7Very high8 Ų857 Ų574%0.04230%0.295CS..Hα-helixtrans-67.5-40.4175.5-77172.4000112.4R803 T832 I835 Y994 I1108 R1109 T1110 I1115 A1116R803-L1112 VanDerWaalsContact O-CD2 3.31Å; R803-L1112 WeakPolarHBondContact O-CD2 3.35Å; T832-L1112 HydrophobicContact CG2-CB 3.93Å; I835-L1112 HydrophobicContact CB-CD1 4.34Å; I835-L1112 HydrophobicContact CD1-CD1 4.09Å; I835-L1112 HydrophobicContact CG2-CD1 3.68Å; Y994-L1112 HydrophobicContact CE1-CD1 4.43Å; Y994-L1112 HydrophobicContact CE1-CD2 4.34Å; I1108-L1112 HydrophobicContact CG2-CD1 3.75Å; I1108-L1112 HydrophobicContact CG2-CG 4.42Å; I1108-L1112 WeakPolarHBondContact O-CB 3.5Å; I1108-L1112 WeakPolarHBondContact O-CG 3.33Å; I1108-L1112 PolarHBondContact O-N 3.5Å; R1109-L1112 PolarHBondContact O-N 3.43Å; T1110-L1112 PolarHBondContact O-N 3.04Å; L1112-I1115 PolarHBondContact O-N 3.46Å; L1112-A1116 WeakPolarHBondContact O-CB 3.46Å; L1112-A1116 PolarHBondContact O-N 2.83Å
1113A94.9Very high94.9Very high55 Ų5554.5 Ų54.546%0.45528%0.28SS..Hα-helixtrans-63.4-41.9176.700000111.7R1109 T1110 I1115 A1116 A1117R1109-A1113 VanDerWaalsContact O-CB 3.28Å; R1109-A1113 WeakPolarHBondContact O-CB 3.46Å; R1109-A1113 PolarHBondContact O-N 3.35Å; T1110-A1113 PolarHBondContact O-N 2.88Å; A1113-I1115 VanDerWaalsContact C-N 3.34Å; A1113-I1115 PolarHBondContact O-N 3.16Å; A1113-A1116 PolarHBondContact O-N 2.95Å; A1113-A1117 WeakPolarHBondContact O-CB 3.45Å; A1113-A1117 PolarHBondContact O-N 3.44Å
1114E96Very high94.9Very high111 Ų11156.7 Ų56.752%0.51929%0.288SS..Hα-helixtrans-59.6-43.2173.4-75.2-179.3-176.700112.1T1110 A1117 K1118T1110-E1114 WeakPolarHBondContact O-CG 3.5Å; T1110-E1114 PolarHBondContact O-N 3.48Å; E1114-A1117 PolarHBondContact O-N 2.9Å; E1114-K1118 VanDerWaalsContact O-CB 3.26Å; E1114-K1118 WeakPolarHBondContact O-CB 3.43Å; E1114-K1118 PolarHBondContact O-N 3.33Å
1115I96Very high95Very high5 Ų556.3 Ų56.33%0.02629%0.286CS..Hα-helixtrans-67.1-44.7178.5-70.9169.6000110.9E774 R803 F804 L828 E1111 L1112 A1113 A1117 K1118 F1119E774-I1115 HydrophobicContact CB-CD1 4.13Å; E774-I1115 HydrophobicContact CG-CD1 4.17Å; E774-I1115 HydrophobicContact CG-CG1 4.19Å; R803-I1115 HydrophobicContact CB-CD1 3.63Å; R803-I1115 VanDerWaalsContact O-CD1 3.23Å; R803-I1115 WeakPolarHBondContact O-CD1 3.47Å; F804-I1115 HydrophobicContact CB-CG2 4.11Å; L828-I1115 HydrophobicContact CD2-CG2 4.2Å; E1111-I1115 VanDerWaalsContact O-CG1 3.3Å; E1111-I1115 WeakPolarHBondContact O-CG1 3.38Å; E1111-I1115 PolarHBondContact O-N 2.82Å; E1111-I1115 VanDerWaalsContact O-N 3.14Å; L1112-I1115 PolarHBondContact O-N 3.46Å; A1113-I1115 VanDerWaalsContact C-N 3.34Å; A1113-I1115 PolarHBondContact O-N 3.16Å; I1115-A1117 VanDerWaalsContact C-N 3.32Å; I1115-A1117 PolarHBondContact O-N 2.8Å; I1115-K1118 PolarHBondContact O-N 3.31Å; I1115-F1119 HydrophobicContact CG2-CD2 4.07Å; I1115-F1119 WeakPolarHBondContact O-CB 3.27Å; I1115-F1119 PolarHBondContact O-N 3.37Å
1116A94.7Very high95Very high12 Ų1258.1 Ų58.110%0.09930%0.295CS..Hα-helixtrans-63.1-38177.200000112.1T832 L1112 A1113 G1120T832-A1116 HydrophobicContact CG2-CB 4.12Å; L1112-A1116 WeakPolarHBondContact O-CB 3.46Å; L1112-A1116 PolarHBondContact O-N 2.83Å; A1113-A1116 PolarHBondContact O-N 2.95Å; A1116-G1120 WeakPolarHBondContact O-CA 3.22Å; A1116-G1120 PolarHBondContact O-N 3.27Å
1117A95.5Very high94.8Very high82 Ų8255.2 Ų55.268%0.67828%0.282SS*.Hα-helixtrans-67.5-39.3174.900000112.4A1113 E1114 I1115A1113-A1117 WeakPolarHBondContact O-CB 3.45Å; A1113-A1117 PolarHBondContact O-N 3.44Å; E1114-A1117 PolarHBondContact O-N 2.9Å; I1115-A1117 VanDerWaalsContact C-N 3.32Å; I1115-A1117 PolarHBondContact O-N 2.8Å
1118K95.8Very high94.2Very high135 Ų13556.4 Ų56.459%0.58729%0.288SS*.Hα-helixtrans-81.4-34.1-176-175.7176.7171.8-1680113.9E774 E1114 I1115E774-K1118 IonicContact OE1-NZ 3.71Å; E1114-K1118 VanDerWaalsContact O-CB 3.26Å; E1114-K1118 WeakPolarHBondContact O-CB 3.43Å; E1114-K1118 PolarHBondContact O-N 3.33Å; I1115-K1118 PolarHBondContact O-N 3.31Å
1119F95.8Very high92.7Very high37 Ų3762.1 Ų62.116%0.16232%0.323CS..Hα-helixtrans-125.2-9.1-170.5-60.7-71.7000114.6K770 I771 E774 L828 I1115K770-F1119 HydrophobicContact CB-CE1 3.69Å; K770-F1119 HydrophobicContact CB-CZ 4.1Å; I771-F1119 HydrophobicContact CB-CD1 3.92Å; I771-F1119 HydrophobicContact CB-CE1 3.97Å; I771-F1119 HydrophobicContact CB-CG 4.18Å; I771-F1119 HydrophobicContact CB-CZ 4.26Å; I771-F1119 HydrophobicContact CD1-CB 3.94Å; I771-F1119 HydrophobicContact CD1-CG 4.14Å; I771-F1119 HydrophobicContact CG1-CB 4.37Å; I771-F1119 HydrophobicContact CG1-CD1 4.28Å; I771-F1119 HydrophobicContact CG1-CD2 4.12Å; I771-F1119 HydrophobicContact CG1-CE2 4.41Å; I771-F1119 HydrophobicContact CG1-CG 4.02Å; E774-F1119 HydrophobicContact CG-CE2 3.86Å; L828-F1119 HydrophobicContact CD2-CB 3.83Å; I1115-F1119 HydrophobicContact CG2-CD2 4.07Å; I1115-F1119 WeakPolarHBondContact O-CB 3.27Å; I1115-F1119 PolarHBondContact O-N 3.37Å
1120G92.9Very high90.7Very high11 Ų1160.3 Ų60.311%0.11333%0.327CS..  trans-70.9138.917700000111.4R829 A1116R829-G1120 PolarHBondContact NE-O 3.06Å; R829-G1120 PolarHBondContact NH2-O 3.09Å; A1116-G1120 WeakPolarHBondContact O-CA 3.22Å; A1116-G1120 PolarHBondContact O-N 3.27Å
1121D93.8Very high88.2Confident46 Ų4663.8 Ų63.825%0.24634%0.339CS..  trans-128.6173.7178.861.9-8.1000111.3R740 N827 R1124R740-D1121 IonicContact CZ-OD1 2.78Å; R740-D1121 IonicContact CZ-OD2 3.35Å; R740-D1121 IonicContact NH1-OD1 3.49Å; R740-D1121 PolarHBondContact NH1-OD1 3.01Å; R740-D1121 IonicContact NH1-OD2 3.04Å; R740-D1121 PolarHBondContact NH1-OD2 2.98Å; R740-D1121 IonicContact NH2-OD1 3.92Å; R740-D1121 PolarHBondContact NH2-OD1 2.8Å; R740-D1121 IonicContact NH2-OD2 2.86Å; R740-D1121 PolarHBondContact NH2-OD2 2.82Å; N827-D1121 PolarHBondContact ND2-O 3.18Å; D1121-R1124 IonicContact OD2-NH2 3.17Å; D1121-R1124 PolarHBondContact OD2-NH2 2.83Å
1122E94.6Very high86Confident164 Ų16465.9 Ų65.977%0.76635%0.353SS*.  trans-68.6154.5177.4-67.1-178.3176.200111.6R740R740-E1122 PolarHBondContact NH2-O 2.82Å
1123R95.4Very high83.3Confident73 Ų7372 Ų7228%0.27539%0.385SS..  trans-58.9136.1172177.7162.2-109.753.9-5.3110.5E830 G855 T1125E830-R1123 VanDerWaalsContact CD-CZ 3.46Å; E830-R1123 IonicContact OE1-CZ 2.7Å; E830-R1123 IonicContact OE1-NE 3.13Å; E830-R1123 IonicContact OE1-NH1 2.81Å; E830-R1123 PolarHBondContact OE1-NH1 2.92Å; E830-R1123 IonicContact OE1-NH2 3.22Å; E830-R1123 PolarHBondContact OE1-NH2 3.04Å; E830-R1123 VanDerWaalsContact OE1-NH2 3.11Å; E830-R1123 IonicContact OE2-CZ 3.75Å; E830-R1123 IonicContact OE2-NH1 3.39Å; E830-R1123 PolarHBondContact OE2-NH1 3.16Å; E830-R1123 IonicContact OE2-NH2 2.86Å; E830-R1123 PolarHBondContact OE2-NH2 3.49Å; G855-R1123 PolarHBondContact O-NH2 2.86Å; G855-R1123 VanDerWaalsContact O-NH2 3.16Å; R1123-T1125 WeakPolarHBondContact CD-O 3.39Å; R1123-T1125 WeakPolarHBondContact CG-O 3.49Å
1124R94.9Very high80.9Confident98 Ų9873.9 Ų73.937%0.3740%0.395SS..  trans-98.9-42.7173.9-57.8-176.8-170.3174.58.2111.8D857 P859 D1121D857-R1124 WeakPolarHBondContact OD1-CA 3.49Å; D857-R1124 PolarHBondContact OD1-N 3.39Å; P859-R1124 PolarHBondContact O-NH1 2.75Å; P859-R1124 VanDerWaalsContact O-NH1 3.17Å; D1121-R1124 IonicContact OD2-NH2 3.17Å; D1121-R1124 PolarHBondContact OD2-NH2 2.83Å
1125T95.5Very high78.6Confident1 Ų172 Ų721%0.00639%0.388CS..SBendtrans-82.4130.1-178.6-62.50000111.6D857 F858 G861 G862 V864 R1123 L1127D857-T1125 PolarHBondContact OD1-N 3.36Å; F858-T1125 WeakPolarHBondContact CB-OG1 3.2Å; F858-T1125 HydrophobicContact CD2-CG2 4.08Å; F858-T1125 PolarHBondContact N-OG1 2.96Å; G861-T1125 PolarHBondContact O-OG1 3.39Å; G861-T1125 VanDerWaalsContact O-OG1 3.04Å; G862-T1125 WeakPolarHBondContact O-CA 3.36Å; V864-T1125 HydrophobicContact CB-CG2 4.4Å; V864-T1125 HydrophobicContact CG2-CG2 3.52Å; R1123-T1125 WeakPolarHBondContact CD-O 3.39Å; R1123-T1125 WeakPolarHBondContact CG-O 3.49Å; T1125-L1127 HydrophobicContact CG2-CD2 4.35Å
1126E93.1Very high76.2Confident83 Ų8377.5 Ų77.539%0.38841%0.414SS..EExtended strand (participates in β ladder)trans-91.7131.2178.5-167.4178.2154.100110.5G862 L863 V864 K886 L1128G862-E1126 PolarHBondContact O-N 3.19Å; L863-E1126 CarbonylContact C-O 3.5Å; L863-E1126 WeakPolarHBondContact CA-O 3.24Å; L863-E1126 HydrophobicContact CD2-CB 3.66Å; L863-E1126 HydrophobicContact CD2-CG 4.2Å; V864-E1126 PolarHBondContact N-O 2.61Å; K886-E1126 IonicContact NZ-OE2 2.84Å; K886-E1126 PolarHBondContact NZ-OE2 2.8Å; E1126-L1128 HydrophobicContact CG-CD2 4.46Å
1127L90Very high74.2Confident36 Ų3682 Ų8219%0.18844%0.436CS..EExtended strand (participates in β ladder)trans-103.3109-176.9-56.3179.9000109.8P854 V864 I870 T1125P854-L1127 HydrophobicContact CB-CD1 3.77Å; P854-L1127 HydrophobicContact CG-CD1 4.04Å; V864-L1127 HydrophobicContact CB-CD2 3.72Å; V864-L1127 HydrophobicContact CG1-CD2 4.26Å; V864-L1127 HydrophobicContact CG2-CD2 4.13Å; I870-L1127 HydrophobicContact CD1-CD2 4.48Å; T1125-L1127 HydrophobicContact CG2-CD2 4.35Å
1128L82.6Confident72.1Confident56 Ų5681.2 Ų81.229%0.29342%0.418SS..EExtended strand (participates in β ladder)trans-93128.5-178.6-64.1178.2000111.3L863 V864 M865 G866 E1126 G1130L863-L1128 HydrophobicContact CB-CD1 4.25Å; L863-L1128 HydrophobicContact CD1-CD1 4.1Å; V864-L1128 PolarHBondContact O-N 3.15Å; M865-L1128 HydrophobicContact CE-CB 4.49Å; M865-L1128 HydrophobicContact CE-CD1 4.17Å; M865-L1128 HydrophobicContact SD-CB 4.31Å; M865-L1128 HydrophobicContact SD-CD1 3.72Å; G866-L1128 PolarHBondContact N-O 2.63Å; G866-L1128 VanDerWaalsContact N-O 3.08Å; E1126-L1128 HydrophobicContact CG-CD2 4.46Å; L1128-G1130 PolarHBondContact O-N 2.8Å
1129V63Low70.2Confident123 Ų12380.1 Ų80.175%0.74542%0.419SS*.  trans-85.298.9175-175.10000108.6K867K867-V1129 HydrophobicContact CD-CG2 4.35Å
1130G52.1Low68.4Low36 Ų3682.3 Ų82.337%0.37143%0.432SS..  trans179.3129.8173.300000109.4G866 L1128G866-G1130 WeakPolarHBondContact CA-O 3.46Å; G866-G1130 PolarHBondContact N-O 3.45Å; L1128-G1130 PolarHBondContact O-N 2.8Å
1131E45.5Very low67.1Low145 Ų14584.5 Ų84.568%0.67844%0.44SS*.  trans-69.2136.4166.7-67.8-164.2151.400108L1133E1131-L1133 PolarHBondContact O-N 3.36Å
1132V48.1Very low66.1Low66 Ų6689.5 Ų89.540%0.446%0.462SS..  trans-69.590.4167.5-177.60000105.6M865 S1134M865-V1132 HydrophobicContact CB-CG2 3.79Å; M865-V1132 HydrophobicContact CE-CG2 4.43Å; M865-V1132 HydrophobicContact CG-CG2 4.25Å; V1132-S1134 PolarHBondContact O-N 2.92Å
1133L40.1Very low65.3Low138 Ų13887.5 Ų87.572%0.72345%0.453SS*.  trans-54.7132.6159.4-69.6169.1000106E1131 L1135E1131-L1133 PolarHBondContact O-N 3.36Å; L1133-L1135 VanDerWaalsContact C-N 3.33Å; L1133-L1135 PolarHBondContact O-N 3.09Å
1134S43.3Very low64.5Low94 Ų9488.5 Ų88.566%0.65746%0.461SS*.  trans-59.1101174.7500000107.6V1132 E1136V1132-S1134 PolarHBondContact O-N 2.92Å; S1134-E1136 PolarHBondContact O-N 3.47Å
1135L48.8Very low63.7Low72 Ų7289.8 Ų89.838%0.37748%0.475SS..  trans-55.5102.3177.8-78151.3000109K962 L1133K962-L1135 PolarHBondContact NZ-O 3.3Å; K962-L1135 VanDerWaalsContact NZ-O 3.15Å; L1133-L1135 VanDerWaalsContact C-N 3.33Å; L1133-L1135 PolarHBondContact O-N 3.09Å
1136E44.6Very low63.1Low120 Ų12090 Ų9056%0.56148%0.476SS*.  trans-78.1150.2167.6-62-161.8172.200107.8S1134 E1138 D1139S1134-E1136 PolarHBondContact O-N 3.47Å; E1136-E1138 PolarHBondContact O-N 2.74Å; E1136-E1138 VanDerWaalsContact O-N 3.14Å; E1136-D1139 PolarHBondContact N-OD2 2.93Å; E1136-D1139 PolarHBondContact O-N 2.95Å; E1136-D1139 VanDerWaalsContact O-N 3.17Å
1137D51.9Low62.6Low106 Ų10686.8 Ų86.857%0.56746%0.462SS*.G310 helixtrans-64.8-19.5-176.3-65.6-26.4000111.9L1140D1137-L1140 WeakPolarHBondContact O-CB 3.39Å; D1137-L1140 PolarHBondContact O-N 3.35Å
1138E53.2Low62.4Low65 Ų6585.2 Ų85.230%0.30445%0.454SS..G310 helixtrans-68.9-32176.9-61.4-171.8165.700112.5E1136 L1140 I1141 K1210 Y1212E1136-E1138 PolarHBondContact O-N 2.74Å; E1136-E1138 VanDerWaalsContact O-N 3.14Å; E1138-L1140 PolarHBondContact O-N 3.4Å; E1138-I1141 PolarHBondContact O-N 2.99Å; E1138-K1210 WeakPolarHBondContact OE1-CE 3.2Å; E1138-K1210 IonicContact OE1-NZ 2.78Å; E1138-K1210 PolarHBondContact OE1-NZ 3.06Å; E1138-K1210 IonicContact OE2-NZ 3.65Å; E1138-Y1212 HydrophobicContact CG-CE1 4.34Å
1139D54.9Low62.4Low113 Ų11382.8 Ų82.860%0.60444%0.441SS*.G310 helixtrans-67-8.8178.4-61.3-38.4000112.8E1136E1136-D1139 PolarHBondContact N-OD2 2.93Å; E1136-D1139 PolarHBondContact O-N 2.95Å; E1136-D1139 VanDerWaalsContact O-N 3.17Å
1140L57.6Low63.5Low83 Ų8377.3 Ų77.344%0.43541%0.408SS..G310 helixtrans-96-4.2-176.5-59.8173000113.8D1137 E1138D1137-L1140 WeakPolarHBondContact O-CB 3.39Å; D1137-L1140 PolarHBondContact O-N 3.35Å; E1138-L1140 PolarHBondContact O-N 3.4Å
1141I66.9Low64.7Low57 Ų5775.7 Ų75.729%0.29239%0.391SS..SBendtrans-125.9131.3-170.2-57.2178.7000109.9E1138 H1194 Y1212E1138-I1141 PolarHBondContact O-N 2.99Å; I1141-H1194 PolarHBondContact O-CE1 2.75Å; I1141-H1194 PolarHBondContact O-NE2 2.83Å; I1141-Y1212 HydrophobicContact CD1-CD1 3.84Å; I1141-Y1212 HydrophobicContact CD1-CD2 3.11Å; I1141-Y1212 HydrophobicContact CD1-CE1 4.11Å; I1141-Y1212 HydrophobicContact CD1-CE2 3.43Å; I1141-Y1212 VanDerWaalsContact CD1-CE2 3.43Å; I1141-Y1212 HydrophobicContact CD1-CG 3.35Å; I1141-Y1212 HydrophobicContact CG2-CD1 4.48Å; I1141-Y1212 HydrophobicContact CG2-CG 4.16Å
1142E71.3Confident66.1Low151 Ų15172.3 Ų72.371%0.70638%0.377SS*.  trans-68.4139.7179.7-162.5165-167.700111.9E1144 T1193E1142-E1144 HydrophobicContact CG-CG 4.47Å; E1142-T1193 PolarHBondContact O-OG1 2.96Å
1143E79Confident67.4Low122 Ų12274.1 Ų74.157%0.5739%0.385SS*.  trans-84.5111179.1-161.2176.9-177.900110.4S1192 T1193 H1194E1143-S1192 WeakPolarHBondContact CG-OG 3.32Å; E1143-S1192 PolarHBondContact OE1-OG 2.89Å; E1143-T1193 VanDerWaalsContact CA-OG1 3.3Å; E1143-T1193 WeakPolarHBondContact CA-OG1 3.27Å; E1143-H1194 HydrophobicContact CG-CB 4.34Å
1144E78.5Confident69.4Low94 Ų9468.3 Ų68.344%0.43936%0.358SS..  trans-134.7147.8-178.1-63.3-176.8157.800112.2E1142 V1146 S1192 T1193E1142-E1144 HydrophobicContact CG-CG 4.47Å; E1144-V1146 HydrophobicContact CB-CG1 4.42Å; E1144-V1146 PolarHBondContact O-N 3.38Å; E1144-S1192 CarbonylContact O-C 3.53Å; E1144-S1192 WeakPolarHBondContact O-CA 3.29Å; E1144-T1193 HydrophobicContact CB-CG2 4.04Å; E1144-T1193 PolarHBondContact N-OG1 3.47Å; E1144-T1193 VanDerWaalsContact N-OG1 3.17Å; E1144-T1193 WeakPolarHBondContact O-CG2 3.37Å; E1144-T1193 PolarHBondContact O-N 3.25Å
1145D78.1Confident71.5Confident125 Ų12567.1 Ų67.167%0.66834%0.34SS*.EExtended strand (participates in β ladder)trans-77.3118.8172.3-79.8-37.5000111.6S1161D1145-S1161 PolarHBondContact O-OG 3.05Å
1146V83.4Confident73.4Confident4 Ų463.7 Ų63.72%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-130.1153.7-173.9-64.40000112.6E1144 R1158 S1190 C1191 T1193E1144-V1146 HydrophobicContact CB-CG1 4.42Å; E1144-V1146 PolarHBondContact O-N 3.38Å; V1146-R1158 HydrophobicContact CB-CG 3.58Å; V1146-R1158 HydrophobicContact CG1-CG 3.86Å; V1146-R1158 HydrophobicContact CG2-CG 3.77Å; V1146-S1190 WeakPolarHBondContact O-CA 3.22Å; V1146-C1191 VanDerWaalsContact CG2-O 3.27Å; V1146-C1191 WeakPolarHBondContact CG2-O 3.37Å; V1146-C1191 PolarHBondContact N-O 2.99Å; V1146-C1191 PolarHBondContact O-N 3.29Å; V1146-C1191 VanDerWaalsContact O-O 3.11Å; V1146-T1193 HydrophobicContact CG1-CG2 3.96Å; V1146-T1193 HydrophobicContact CG2-CG2 4.32Å
1147V82.4Confident75.5Confident17 Ų1758.2 Ų58.210%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-106.3123.1174174.70000110.1T1149 V1159 F1164 L1188 I1189V1147-T1149 HydrophobicContact CG1-CG2 4.32Å; V1147-V1159 PolarHBondContact N-O 2.92Å; V1147-V1159 PolarHBondContact O-N 3.42Å; V1147-F1164 HydrophobicContact CG1-CE2 4.35Å; V1147-L1188 HydrophobicContact CG1-CD2 3.25Å; V1147-I1189 CarbonylContact C-O 3.59Å; V1147-I1189 VanDerWaalsContact CA-O 3.31Å; V1147-I1189 WeakPolarHBondContact CA-O 3.42Å
1148I85Confident77.2Confident3 Ų354.6 Ų54.62%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-99.6123.3176.5-63.6177.7000109.5I1156 K1157 L1188 I1189 C1191 L1197 V1214I1148-I1156 HydrophobicContact CG2-CD1 3.83Å; I1148-I1156 HydrophobicContact CG2-CG1 3.81Å; I1148-K1157 WeakPolarHBondContact CA-O 3.35Å; I1148-L1188 WeakPolarHBondContact O-CA 3.46Å; I1148-I1189 PolarHBondContact N-O 3.16Å; I1148-I1189 PolarHBondContact O-N 2.86Å; I1148-C1191 WeakPolarHBondContact CD1-SG 3.36Å; I1148-L1197 HydrophobicContact CD1-CD1 3.12Å; I1148-L1197 HydrophobicContact CD1-CD2 4.17Å; I1148-L1197 HydrophobicContact CD1-CG 4.22Å; I1148-V1214 HydrophobicContact CD1-CB 4.32Å; I1148-V1214 HydrophobicContact CD1-CG2 4Å; I1148-V1214 HydrophobicContact CG2-CG1 4.37Å
1149T83.7Confident78.6Confident4 Ų451.7 Ų51.73%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-109.3132.6177.369.30000110.2V1147 I1156 K1157 V1159 L1188V1147-T1149 HydrophobicContact CG1-CG2 4.32Å; T1149-I1156 VanDerWaalsContact O-CA 3.29Å; T1149-I1156 WeakPolarHBondContact O-CA 3.32Å; T1149-K1157 PolarHBondContact N-O 3.04Å; T1149-K1157 PolarHBondContact O-N 2.78Å; T1149-K1157 VanDerWaalsContact OG1-CE 3.32Å; T1149-K1157 WeakPolarHBondContact OG1-CE 3.21Å; T1149-K1157 WeakPolarHBondContact OG1-CG 3.36Å; T1149-V1159 HydrophobicContact CG2-CG2 4.43Å; T1149-L1188 HydrophobicContact CG2-CD2 3.72Å; T1149-L1188 HydrophobicContact CG2-CG 4.21Å
1150L84.4Confident79.6Confident8 Ų848.3 Ų48.34%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-121.5124.6172179.565.8000110.2Y1155 I1156 K1186 T1187 I1226 I1238L1150-Y1155 CarbonylContact C-O 3.56Å; L1150-Y1155 VanDerWaalsContact CA-O 3.27Å; L1150-Y1155 WeakPolarHBondContact CA-O 3.38Å; L1150-I1156 HydrophobicContact CD1-CB 3.98Å; L1150-K1186 PolarHBondContact O-N 3.08Å; L1150-T1187 PolarHBondContact N-O 3.49Å; L1150-T1187 PolarHBondContact O-N 3.35Å; L1150-I1226 HydrophobicContact CD1-CB 4.09Å; L1150-I1226 HydrophobicContact CD1-CD1 3.63Å; L1150-I1226 HydrophobicContact CD1-CG1 4.46Å; L1150-I1226 HydrophobicContact CD1-CG2 4.32Å; L1150-I1226 HydrophobicContact CD2-CD1 4.02Å; L1150-I1226 HydrophobicContact CG-CD1 4.49Å; L1150-I1238 HydrophobicContact CD2-CB 3.64Å; L1150-I1238 HydrophobicContact CD2-CG1 4Å; L1150-I1238 HydrophobicContact CD2-CG2 3.85Å
1151T79.3Confident80.1Confident3 Ų346.6 Ų46.62%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-85.5164.3179.280.40000113.2N1153 G1154 Y1155 M1177 D1183 F1184T1151-N1153 VanDerWaalsContact C-N 3.28Å; T1151-N1153 PolarHBondContact O-N 3.48Å; T1151-G1154 WeakPolarHBondContact O-CA 3.23Å; T1151-G1154 PolarHBondContact O-N 3.2Å; T1151-Y1155 PolarHBondContact N-O 2.93Å; T1151-Y1155 WeakPolarHBondContact OG1-CB 3.34Å; T1151-Y1155 PolarHBondContact OG1-N 3.08Å; T1151-M1177 HydrophobicContact CG2-CE 3.35Å; T1151-D1183 WeakPolarHBondContact CB-OD1 3.47Å; T1151-D1183 WeakPolarHBondContact CB-OD2 3.48Å; T1151-D1183 PolarHBondContact OG1-OD1 3.18Å; T1151-D1183 VanDerWaalsContact OG1-OD1 3.1Å; T1151-D1183 PolarHBondContact OG1-OD2 3.48Å; T1151-F1184 CarbonylContact C-O 3.57Å; T1151-F1184 VanDerWaalsContact CA-O 3.27Å; T1151-F1184 WeakPolarHBondContact CA-O 3.5Å; T1151-F1184 WeakPolarHBondContact CB-O 3.45Å
1152N73.2Confident79.9Confident74 Ų7450.2 Ų50.240%0.39627%0.269SS..THydrogen-bonded Turntrans-63.4-32.9177.7-174.762000112.3G1154 D1183 F1184N1152-G1154 PolarHBondContact O-N 3.43Å; N1152-D1183 PolarHBondContact N-OD1 2.87Å; N1152-D1183 VanDerWaalsContact N-OD1 3.08Å; N1152-F1184 HydrophobicContact CB-CD1 4.17Å; N1152-F1184 HydrophobicContact CB-CD2 4.17Å; N1152-F1184 HydrophobicContact CB-CE1 3.86Å; N1152-F1184 HydrophobicContact CB-CE2 3.86Å; N1152-F1184 HydrophobicContact CB-CG 4.31Å; N1152-F1184 HydrophobicContact CB-CZ 3.69Å; N1152-F1184 PolarHBondContact N-O 2.7Å
1153N76.8Confident79.6Confident103 Ų10346.6 Ų46.655%0.55125%0.252SS*.THydrogen-bonded Turntrans-79.35.7170.5-72.7-6.1000113.6T1151 Y1155 D1183T1151-N1153 VanDerWaalsContact C-N 3.28Å; T1151-N1153 PolarHBondContact O-N 3.48Å; N1153-Y1155 HydrophobicContact CB-CD2 4.09Å; N1153-Y1155 HydrophobicContact CB-CE2 4.11Å; N1153-D1183 HydrophobicContact CB-CB 4.12Å; N1153-D1183 PolarHBondContact N-OD1 3.13Å; N1153-D1183 VanDerWaalsContact ND2-CB 3.27Å; N1153-D1183 WeakPolarHBondContact ND2-CB 3.47Å
1154G81Confident78.7Confident16 Ų1644 Ų4417%0.16524%0.239CC..  trans80.628.6174.100000114.5T1151 N1152 P1225 I1226T1151-G1154 WeakPolarHBondContact O-CA 3.23Å; T1151-G1154 PolarHBondContact O-N 3.2Å; N1152-G1154 PolarHBondContact O-N 3.43Å; G1154-P1225 CarbonylContact O-C 3.55Å; G1154-P1225 WeakPolarHBondContact O-CA 3.35Å; G1154-I1226 WeakPolarHBondContact O-CB 3.42Å; G1154-I1226 VanDerWaalsContact O-CG2 3.26Å; G1154-I1226 WeakPolarHBondContact O-CG2 3.38Å; G1154-I1226 PolarHBondContact O-N 2.95Å
1155Y87.4Confident77.4Confident69 Ų6949.7 Ų49.727%0.27126%0.256SS..EExtended strand (participates in β ladder)trans-88.7129.5170.4-69.4-92.7000111.2L1150 T1151 N1153 K1222 I1224 P1225L1150-Y1155 CarbonylContact C-O 3.56Å; L1150-Y1155 VanDerWaalsContact CA-O 3.27Å; L1150-Y1155 WeakPolarHBondContact CA-O 3.38Å; T1151-Y1155 PolarHBondContact N-O 2.93Å; T1151-Y1155 WeakPolarHBondContact OG1-CB 3.34Å; T1151-Y1155 PolarHBondContact OG1-N 3.08Å; N1153-Y1155 HydrophobicContact CB-CD2 4.09Å; N1153-Y1155 HydrophobicContact CB-CE2 4.11Å; Y1155-K1222 WeakPolarHBondContact CB-O 3.47Å; Y1155-K1222 HydrophobicContact CD1-CB 4.19Å; Y1155-I1224 CarbonylContact C-O 3.55Å; Y1155-I1224 WeakPolarHBondContact CA-O 3.35Å; Y1155-P1225 HydrophobicContact CD1-CG 4.22Å; Y1155-P1225 HydrophobicContact CE1-CG 3.78Å
1156I89.8Confident76.3Confident0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-113.9142.6178.6-164.6177000111.2I1148 T1149 L1150 F1199 V1214 G1223 I1224 I1226 L1229I1148-I1156 HydrophobicContact CG2-CD1 3.83Å; I1148-I1156 HydrophobicContact CG2-CG1 3.81Å; T1149-I1156 VanDerWaalsContact O-CA 3.29Å; T1149-I1156 WeakPolarHBondContact O-CA 3.32Å; L1150-I1156 HydrophobicContact CD1-CB 3.98Å; I1156-F1199 HydrophobicContact CD1-CE1 3.59Å; I1156-F1199 HydrophobicContact CD1-CZ 3.87Å; I1156-V1214 HydrophobicContact CD1-CG1 3.97Å; I1156-V1214 HydrophobicContact CD1-CG2 3.96Å; I1156-V1214 HydrophobicContact CG1-CG1 3.81Å; I1156-G1223 WeakPolarHBondContact O-CA 3.18Å; I1156-I1224 HydrophobicContact CG2-CD1 4.48Å; I1156-I1224 HydrophobicContact CG2-CG1 3.89Å; I1156-I1224 PolarHBondContact N-O 3.26Å; I1156-I1224 PolarHBondContact O-N 3.06Å; I1156-I1226 HydrophobicContact CB-CB 4.45Å; I1156-I1226 HydrophobicContact CD1-CD1 4.2Å; I1156-I1226 HydrophobicContact CG2-CB 4.22Å; I1156-I1226 HydrophobicContact CG2-CG1 4.39Å; I1156-L1229 HydrophobicContact CD1-CD2 4.23Å; I1156-L1229 HydrophobicContact CG2-CD2 3.96Å
1157K88Confident75.1Confident5 Ų549.7 Ų49.72%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-154157.1170.159.2175.9-176.8-179.90112I1148 T1149 V1159 Y1217 G1218 R1219 A1221I1148-K1157 WeakPolarHBondContact CA-O 3.35Å; T1149-K1157 PolarHBondContact N-O 3.04Å; T1149-K1157 PolarHBondContact O-N 2.78Å; T1149-K1157 VanDerWaalsContact OG1-CE 3.32Å; T1149-K1157 WeakPolarHBondContact OG1-CE 3.21Å; T1149-K1157 WeakPolarHBondContact OG1-CG 3.36Å; K1157-V1159 HydrophobicContact CD-CG2 3.91Å; K1157-V1159 HydrophobicContact CG-CG2 4.05Å; K1157-Y1217 HydrophobicContact CB-CD2 3.89Å; K1157-Y1217 HydrophobicContact CB-CG 4.4Å; K1157-G1218 PolarHBondContact NZ-O 3.17Å; K1157-G1218 VanDerWaalsContact NZ-O 3.11Å; K1157-R1219 VanDerWaalsContact NZ-C 3.33Å; K1157-R1219 PolarHBondContact NZ-O 3.27Å; K1157-A1221 PolarHBondContact NZ-O 2.88Å
1158R87.8Confident73.7Confident31 Ų3159.9 Ų59.912%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-95.9133.3167.5-172.8-177.681.2164.43.6109V1146 V1214 P1215 E1216 Y1217V1146-R1158 HydrophobicContact CB-CG 3.58Å; V1146-R1158 HydrophobicContact CG1-CG 3.86Å; V1146-R1158 HydrophobicContact CG2-CG 3.77Å; R1158-V1214 HydrophobicContact CB-CB 4.34Å; R1158-V1214 HydrophobicContact CB-CG1 4.11Å; R1158-V1214 WeakPolarHBondContact CB-O 3.29Å; R1158-P1215 PolarHBondContact N-O 3.45Å; R1158-E1216 IonicContact CZ-OE2 3.08Å; R1158-E1216 IonicContact NE-OE2 3.66Å; R1158-E1216 IonicContact NH2-OE2 3.98Å; R1158-E1216 PolarHBondContact NH2-OE2 3.02Å; R1158-E1216 WeakPolarHBondContact O-CA 3.32Å; R1158-Y1217 PolarHBondContact O-N 3.2Å
1159V83.1Confident72.1Confident3 Ų364.2 Ų64.22%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-132.7141.6177.3-1680000107.8V1147 T1149 K1157 E1163V1147-V1159 PolarHBondContact N-O 2.92Å; V1147-V1159 PolarHBondContact O-N 3.42Å; T1149-V1159 HydrophobicContact CG2-CG2 4.43Å; K1157-V1159 HydrophobicContact CD-CG2 3.91Å; K1157-V1159 HydrophobicContact CG-CG2 4.05Å; V1159-E1163 HydrophobicContact CG1-CB 4.21Å; V1159-E1163 HydrophobicContact CG1-CG 4.16Å; V1159-E1163 VanDerWaalsContact CG1-OE2 3.24Å; V1159-E1163 WeakPolarHBondContact CG1-OE2 3.45Å
1160A74Confident70.7Confident43 Ų4366.4 Ų66.436%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-60.1139.6172.800000111T1162 E1163A1160-T1162 PolarHBondContact O-N 2.98Å; A1160-T1162 VanDerWaalsContact O-N 3.09Å; A1160-E1163 PolarHBondContact O-N 2.79Å
1161S68.3Low69.5Low47 Ų4767.4 Ų67.433%0.32935%0.347SS..G310 helixtrans-58.6-25.5-175.7-51.70000113.6D1145 E1163D1145-S1161 PolarHBondContact O-OG 3.05Å; S1161-E1163 VanDerWaalsContact C-N 3.27Å; S1161-E1163 PolarHBondContact O-N 2.81Å
1162T64Low68.4Low133 Ų13377.1 Ų77.182%0.81638%0.383SS*.G310 helixtrans-71.4-5.9-175.9510000115.3A1160A1160-T1162 PolarHBondContact O-N 2.98Å; A1160-T1162 VanDerWaalsContact O-N 3.09Å
1163E64.4Low67.7Low75 Ų7574.5 Ų74.535%0.3537%0.374SS..G310 helixtrans-85.8-3.1-173.2-73.8-151.7149.300117.2V1159 A1160 S1161 R1219V1159-E1163 HydrophobicContact CG1-CB 4.21Å; V1159-E1163 HydrophobicContact CG1-CG 4.16Å; V1159-E1163 VanDerWaalsContact CG1-OE2 3.24Å; V1159-E1163 WeakPolarHBondContact CG1-OE2 3.45Å; A1160-E1163 PolarHBondContact O-N 2.79Å; S1161-E1163 VanDerWaalsContact C-N 3.27Å; S1161-E1163 PolarHBondContact O-N 2.81Å; E1163-R1219 PolarHBondContact O-NH1 2.81Å; E1163-R1219 WeakPolarHBondContact OE2-CA 3.31Å; E1163-R1219 WeakPolarHBondContact OE2-CB 3.42Å; E1163-R1219 VanDerWaalsContact OE2-CG 3.25Å; E1163-R1219 WeakPolarHBondContact OE2-CG 3.32Å; E1163-R1219 PolarHBondContact OE2-N 2.79Å
1164F59.2Low66.9Low66 Ų6673.2 Ų73.229%0.28937%0.37SS..  trans-122.1106.9-172.8-62.5-84.9000115.2V1147 R1414V1147-F1164 HydrophobicContact CG1-CE2 4.35Å; F1164-R1414 PolarHBondContact O-NH1 3.49Å
1165R52.6Low65.8Low214 Ų21480.9 Ų80.981%0.80840%0.401SS*.  trans-92.1151.4178-68.7-174.9174.8-179.3-4.4116E1450R1165-E1450 WeakPolarHBondContact CA-OE1 3.27Å; R1165-E1450 WeakPolarHBondContact CG-OE1 3.37Å
1166S54.9Low64.1Low57 Ų5779 Ų7940%0.39940%0.403SS..  trans-77.4159.7-177.770.30000115.9E1450S1166-E1450 WeakPolarHBondContact CA-OE2 3.32Å; S1166-E1450 WeakPolarHBondContact CB-OE2 3.4Å; S1166-E1450 PolarHBondContact N-OE2 3.32Å; S1166-E1450 PolarHBondContact OG-OE2 2.77Å
1167Q58.3Low62.4Low73 Ų7380.9 Ų80.934%0.34141%0.412SS..  trans-139.2159.7179.6-58.8-166.5-20.600114.2R1414Q1167-R1414 CarbonylContact C-O 3.6Å; Q1167-R1414 WeakPolarHBondContact CB-O 3.18Å; Q1167-R1414 PolarHBondContact N-O 2.8Å
1168R51.9Low60.5Low230 Ų23083.9 Ų83.987%0.86845%0.445SS*.  trans-75.8139.4177.1-70.5-174.7176.8-176.40.1113.1G1170 G1171R1168-G1170 PolarHBondContact O-N 3.27Å; R1168-G1171 PolarHBondContact O-N 2.94Å
1169R52.5Low58.8Low95 Ų9583.9 Ų83.936%0.35845%0.447SS..THydrogen-bonded Turntrans-53.7129.5176.9-151.9-169.3101.2-164.5-5.9111.6F1415 S1419R1169-F1415 HydrophobicContact CB-CB 4.24Å; R1169-F1415 HydrophobicContact CG-CB 4.28Å; R1169-F1415 HydrophobicContact CG-CD2 3.99Å; R1169-F1415 HydrophobicContact CG-CG 4.15Å; R1169-S1419 WeakPolarHBondContact CD-OG 3.3Å; R1169-S1419 WeakPolarHBondContact CG-OG 3.13Å; R1169-S1419 PolarHBondContact NH1-O 3.16Å
1170G54.7Low57.3Low50 Ų5090.8 Ų90.852%0.51548%0.478SS..THydrogen-bonded Turntrans90.71.3-177.700000115.6R1168 L1432R1168-G1170 PolarHBondContact O-N 3.27Å; G1170-L1432 PolarHBondContact N-O 3.03Å
1171G58.8Low56.2Low29 Ų2996.1 Ų96.130%0.29950%0.501SS..  trans-61.1166.9169.900000113.5R1168 G1173R1168-G1171 PolarHBondContact O-N 2.94Å; G1171-G1173 PolarHBondContact O-N 2.95Å
1172R56.4Low55.8Low206 Ų206100.4 Ų100.478%0.77752%0.52SS*.  trans-75.6-6.9-177-143.3175.7-175.3152.2-0.8113.7V1411 E1436R1172-V1411 WeakPolarHBondContact O-CG1 3.13Å; R1172-E1436 IonicContact CZ-OE1 3.41Å; R1172-E1436 IonicContact NE-OE1 2.79Å; R1172-E1436 PolarHBondContact NE-OE1 2.77Å; R1172-E1436 IonicContact NH2-OE1 3.51Å; R1172-E1436 PolarHBondContact NH2-OE1 3.02Å
1173G57.1Low56Low20 Ų2094.7 Ų94.721%0.20649%0.485CS..  trans71.5158-169.500000111.8G1171 I1412G1171-G1173 PolarHBondContact O-N 2.95Å; G1173-I1412 CarbonylContact C-O 3.59Å; G1173-I1412 WeakPolarHBondContact CA-O 3.37Å
1174V60.3Low55.8Low76 Ų7692.1 Ų92.146%0.46147%0.472SS..EExtended strand (participates in β ladder)trans-100.2143.4174-156.70000108.7G1176 I1412V1174-G1176 VanDerWaalsContact C-N 3.3Å; V1174-G1176 PolarHBondContact O-N 3Å; V1174-I1412 PolarHBondContact N-O 3.23Å; V1174-I1412 PolarHBondContact O-N 3.19Å
1175Q57.3Low56.2Low177 Ų17789.4 Ų89.483%0.82746%0.461SS*.EExtended strand (participates in β ladder)trans-70.392.4166.2-136.3176.2-10.800107.4M1177Q1175-M1177 VanDerWaalsContact C-N 3.31Å; Q1175-M1177 PolarHBondContact O-N 2.89Å
1176G53.2Low56.9Low30 Ų3081.7 Ų81.731%0.30943%0.434SS..  trans-80.8-3.1-166.700000115.1V1174V1174-G1176 VanDerWaalsContact C-N 3.3Å; V1174-G1176 PolarHBondContact O-N 3Å
1177M53Low57.6Low38 Ų3880.2 Ų80.219%0.18742%0.422CS..  trans-162.7130.7-170-134.8160.1127.300111.8T1151 Q1175 I1179 V1185T1151-M1177 HydrophobicContact CG2-CE 3.35Å; Q1175-M1177 VanDerWaalsContact C-N 3.31Å; Q1175-M1177 PolarHBondContact O-N 2.89Å; M1177-I1179 HydrophobicContact CB-CD1 3.43Å; M1177-I1179 VanDerWaalsContact CB-CD1 3.43Å; M1177-I1179 HydrophobicContact CB-CG1 3.5Å; M1177-I1179 HydrophobicContact CE-CD1 3.43Å; M1177-I1179 VanDerWaalsContact CE-CD1 3.43Å; M1177-I1179 HydrophobicContact CE-CG1 3.6Å; M1177-I1179 HydrophobicContact CG-CD1 3.59Å; M1177-I1179 HydrophobicContact CG-CG1 3.51Å; M1177-I1179 PolarHBondContact O-N 3.48Å; M1177-I1179 HydrophobicContact SD-CD1 3.57Å; M1177-I1179 VanDerWaalsContact SD-CD1 3.57Å; M1177-I1179 HydrophobicContact SD-CG1 4.04Å; M1177-V1185 HydrophobicContact CE-CG2 4.12Å; M1177-V1185 HydrophobicContact SD-CG2 3.31Å; M1177-V1185 WeakPolarHBondContact SD-CG2 3.29Å
1178G49.3Very low58.4Low69 Ų6978.7 Ų78.771%0.71142%0.416SS*.  trans-75.850.1174.200000111.6
1179I51.3Low59.6Low31 Ų3169 Ų6916%0.15938%0.381CS..  trans-88.1139.2179.7-48.6160.8000107.1M1177 D1183M1177-I1179 HydrophobicContact CB-CD1 3.43Å; M1177-I1179 VanDerWaalsContact CB-CD1 3.43Å; M1177-I1179 HydrophobicContact CB-CG1 3.5Å; M1177-I1179 HydrophobicContact CE-CD1 3.43Å; M1177-I1179 VanDerWaalsContact CE-CD1 3.43Å; M1177-I1179 HydrophobicContact CE-CG1 3.6Å; M1177-I1179 HydrophobicContact CG-CD1 3.59Å; M1177-I1179 HydrophobicContact CG-CG1 3.51Å; M1177-I1179 PolarHBondContact O-N 3.48Å; M1177-I1179 HydrophobicContact SD-CD1 3.57Å; M1177-I1179 VanDerWaalsContact SD-CD1 3.57Å; M1177-I1179 HydrophobicContact SD-CG1 4.04Å; I1179-D1183 WeakPolarHBondContact CB-O 3.39Å; I1179-D1183 WeakPolarHBondContact CD1-O 3.5Å; I1179-D1183 HydrophobicContact CG2-CB 3.23Å; I1179-D1183 WeakPolarHBondContact CG2-O 3.41Å
1180H52.1Low60.9Low147 Ų14768 Ų6868%0.68139%0.389SS*.  trans-50.6151169.5-88.1-82000110.3D1182 D1183H1180-D1182 PolarHBondContact O-N 3.02Å; H1180-D1183 PolarHBondContact O-N 3.45Å
1181D49.6Very low62.2Low156 Ų15665.9 Ų65.983%0.83437%0.366SS*.THydrogen-bonded Turntrans-42.4111.9169.2-64.7-38.1000108.6
1182D60.3Low63.4Low137 Ų13764.9 Ų64.973%0.73336%0.355SS*.THydrogen-bonded Turntrans109.64.5174.8-52.8-25.8000119.4H1180H1180-D1182 PolarHBondContact O-N 3.02Å
1183D67.9Low64.7Low12 Ų1255.1 Ų55.16%0.06432%0.318CS..  trans-122.4144.5170.2177.344.1000113.7T1151 N1152 N1153 I1179 H1180T1151-D1183 WeakPolarHBondContact CB-OD1 3.47Å; T1151-D1183 WeakPolarHBondContact CB-OD2 3.48Å; T1151-D1183 PolarHBondContact OG1-OD1 3.18Å; T1151-D1183 VanDerWaalsContact OG1-OD1 3.1Å; T1151-D1183 PolarHBondContact OG1-OD2 3.48Å; N1152-D1183 PolarHBondContact N-OD1 2.87Å; N1152-D1183 VanDerWaalsContact N-OD1 3.08Å; N1153-D1183 HydrophobicContact CB-CB 4.12Å; N1153-D1183 PolarHBondContact N-OD1 3.13Å; N1153-D1183 VanDerWaalsContact ND2-CB 3.27Å; N1153-D1183 WeakPolarHBondContact ND2-CB 3.47Å; I1179-D1183 WeakPolarHBondContact CB-O 3.39Å; I1179-D1183 WeakPolarHBondContact CD1-O 3.5Å; I1179-D1183 HydrophobicContact CG2-CB 3.23Å; I1179-D1183 WeakPolarHBondContact CG2-O 3.41Å; H1180-D1183 PolarHBondContact O-N 3.45Å
1184F62.2Low66Low21 Ų2156.3 Ų56.39%0.09232%0.318CS..  trans-153.3155.8-169.956-90.1000110.1T1151 N1152 K1186 I1406 V1442T1151-F1184 CarbonylContact C-O 3.57Å; T1151-F1184 VanDerWaalsContact CA-O 3.27Å; T1151-F1184 WeakPolarHBondContact CA-O 3.5Å; T1151-F1184 WeakPolarHBondContact CB-O 3.45Å; N1152-F1184 HydrophobicContact CB-CD1 4.17Å; N1152-F1184 HydrophobicContact CB-CD2 4.17Å; N1152-F1184 HydrophobicContact CB-CE1 3.86Å; N1152-F1184 HydrophobicContact CB-CE2 3.86Å; N1152-F1184 HydrophobicContact CB-CG 4.31Å; N1152-F1184 HydrophobicContact CB-CZ 3.69Å; N1152-F1184 PolarHBondContact N-O 2.7Å; F1184-K1186 PolarHBondContact O-N 3.39Å; F1184-I1406 HydrophobicContact CB-CG2 4.18Å; F1184-I1406 HydrophobicContact CD2-CG2 4.24Å; F1184-V1442 HydrophobicContact CD2-CG2 4.4Å; F1184-V1442 HydrophobicContact CE2-CB 4.04Å; F1184-V1442 HydrophobicContact CE2-CG1 4.27Å; F1184-V1442 HydrophobicContact CE2-CG2 4Å; F1184-V1442 HydrophobicContact CZ-CB 4.22Å; F1184-V1442 HydrophobicContact CZ-CG1 3.96Å; F1184-V1442 HydrophobicContact CZ-CG2 4.14Å
1185V66.9Low67.1Low9 Ų953 Ų536%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-66.8121.7177.1-176.20000109.7M1177 T1187 L1188 I1406M1177-V1185 HydrophobicContact CE-CG2 4.12Å; M1177-V1185 HydrophobicContact SD-CG2 3.31Å; M1177-V1185 WeakPolarHBondContact SD-CG2 3.29Å; V1185-T1187 WeakPolarHBondContact CG1-O 3.43Å; V1185-L1188 HydrophobicContact CG1-CD1 3.88Å; V1185-L1188 HydrophobicContact CG1-CG 3.93Å; V1185-I1406 HydrophobicContact CB-CD1 4.14Å; V1185-I1406 WeakPolarHBondContact O-CD1 3.24Å
1186K66.7Low68.5Low53 Ų5346 Ų4623%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-93.5-39.4178.2-172.8-175.5175.5-166.80111.6L1150 F1184 I1238 Q1239L1150-K1186 PolarHBondContact O-N 3.08Å; F1184-K1186 PolarHBondContact O-N 3.39Å; K1186-I1238 PolarHBondContact NZ-O 3.46Å; K1186-Q1239 VanDerWaalsContact NZ-OE1 3.16Å
1187T70.8Confident70.1Confident26 Ų2644.6 Ų44.616%0.1625%0.252CS..EExtended strand (participates in β ladder)trans-133139.6-177.1-46.80000110.6L1150 V1185 I1189 V1241L1150-T1187 PolarHBondContact N-O 3.49Å; L1150-T1187 PolarHBondContact O-N 3.35Å; V1185-T1187 WeakPolarHBondContact CG1-O 3.43Å; T1187-I1189 HydrophobicContact CG2-CD1 4.28Å; T1187-I1189 HydrophobicContact CG2-CG1 3.98Å; T1187-V1241 HydrophobicContact CG2-CG2 4.43Å
1188L74.5Confident71.9Confident41 Ų4143 Ų4322%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-134.2130.4177.3-103.9151.3000107.5V1147 I1148 T1149 V1185 L1404V1147-L1188 HydrophobicContact CG1-CD2 3.25Å; I1148-L1188 WeakPolarHBondContact O-CA 3.46Å; T1149-L1188 HydrophobicContact CG2-CD2 3.72Å; T1149-L1188 HydrophobicContact CG2-CG 4.21Å; V1185-L1188 HydrophobicContact CG1-CD1 3.88Å; V1185-L1188 HydrophobicContact CG1-CG 3.93Å; L1188-L1404 HydrophobicContact CD1-CD2 4.1Å
1189I77Confident73.9Confident26 Ų2639.8 Ų39.813%0.13321%0.211CC..EExtended strand (participates in β ladder)trans-139.6135.6-175.9-47.1164.7000108.5V1147 I1148 T1187 V1241V1147-I1189 CarbonylContact C-O 3.59Å; V1147-I1189 VanDerWaalsContact CA-O 3.31Å; V1147-I1189 WeakPolarHBondContact CA-O 3.42Å; I1148-I1189 PolarHBondContact N-O 3.16Å; I1148-I1189 PolarHBondContact O-N 2.86Å; T1187-I1189 HydrophobicContact CG2-CD1 4.28Å; T1187-I1189 HydrophobicContact CG2-CG1 3.98Å; I1189-V1241 HydrophobicContact CD1-CB 3.22Å; I1189-V1241 HydrophobicContact CD1-CG1 3.17Å; I1189-V1241 HydrophobicContact CD1-CG2 4.04Å; I1189-V1241 HydrophobicContact CG1-CB 4.37Å
1190S80.4Confident75.9Confident74 Ų7438.3 Ų38.352%0.51720%0.204SC..EExtended strand (participates in β ladder)trans-97.5132.6166.9-151.20000109V1146V1146-S1190 WeakPolarHBondContact O-CA 3.22Å
1191C81.7Confident77.7Confident6 Ų631.3 Ų31.34%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-156.7165.7178.666.20000111.5V1146 I1148 D1195 L1197V1146-C1191 VanDerWaalsContact CG2-O 3.27Å; V1146-C1191 WeakPolarHBondContact CG2-O 3.37Å; V1146-C1191 PolarHBondContact N-O 2.99Å; V1146-C1191 PolarHBondContact O-N 3.29Å; V1146-C1191 VanDerWaalsContact O-O 3.11Å; I1148-C1191 WeakPolarHBondContact CD1-SG 3.36Å; C1191-D1195 WeakPolarHBondContact CA-OD2 3.17Å; C1191-D1195 HydrophobicContact CB-CB 4.01Å; C1191-D1195 VanDerWaalsContact CB-OD2 3.3Å; C1191-D1195 WeakPolarHBondContact CB-OD2 3.28Å; C1191-L1197 HydrophobicContact CB-CD2 4.17Å
1192S83.8Confident79.6Confident8 Ų824.9 Ų24.96%0.05614%0.137CC..EExtended strand (participates in β ladder)trans-73.7156.4166.61660000110.7E1143 E1144 H1194 D1195E1143-S1192 WeakPolarHBondContact CG-OG 3.32Å; E1143-S1192 PolarHBondContact OE1-OG 2.89Å; E1144-S1192 CarbonylContact O-C 3.53Å; E1144-S1192 WeakPolarHBondContact O-CA 3.29Å; S1192-H1194 PolarHBondContact O-N 3.22Å; S1192-H1194 PolarHBondContact OG-N 2.97Å; S1192-H1194 VanDerWaalsContact OG-N 3.15Å; S1192-D1195 PolarHBondContact N-OD2 2.77Å; S1192-D1195 WeakPolarHBondContact O-CB 3.43Å; S1192-D1195 PolarHBondContact O-N 2.8Å
1193T83.4Confident81.1Confident1 Ų120.6 Ų20.61%0.00612%0.118CC..THydrogen-bonded Turntrans-60.1-26.8169.654.20000112.3E1142 E1143 E1144 V1146 G1211 Y1212E1142-T1193 PolarHBondContact O-OG1 2.96Å; E1143-T1193 VanDerWaalsContact CA-OG1 3.3Å; E1143-T1193 WeakPolarHBondContact CA-OG1 3.27Å; E1144-T1193 HydrophobicContact CB-CG2 4.04Å; E1144-T1193 PolarHBondContact N-OG1 3.47Å; E1144-T1193 VanDerWaalsContact N-OG1 3.17Å; E1144-T1193 WeakPolarHBondContact O-CG2 3.37Å; E1144-T1193 PolarHBondContact O-N 3.25Å; V1146-T1193 HydrophobicContact CG1-CG2 3.96Å; V1146-T1193 HydrophobicContact CG2-CG2 4.32Å; T1193-G1211 CarbonylContact O-C 3.56Å; T1193-G1211 VanDerWaalsContact O-CA 3.3Å; T1193-G1211 WeakPolarHBondContact O-CA 3.22Å; T1193-G1211 PolarHBondContact O-N 2.87Å; T1193-Y1212 VanDerWaalsContact O-CD1 3.3Å; T1193-Y1212 WeakPolarHBondContact O-CD1 3.23Å; T1193-Y1212 PolarHBondContact O-N 2.63Å
1194H83.5Confident82.1Confident44 Ų4420 Ų2020%0.20412%0.115CC..THydrogen-bonded Turntrans-89.9-11.9-179.2-69.2-175.8000114.2I1141 E1143 S1192 K1210I1141-H1194 PolarHBondContact O-CE1 2.75Å; I1141-H1194 PolarHBondContact O-NE2 2.83Å; E1143-H1194 HydrophobicContact CG-CB 4.34Å; S1192-H1194 PolarHBondContact O-N 3.22Å; S1192-H1194 PolarHBondContact OG-N 2.97Å; S1192-H1194 VanDerWaalsContact OG-N 3.15Å; H1194-K1210 WeakPolarHBondContact O-CD 3.31Å; H1194-K1210 PolarHBondContact O-NZ 3.15Å
1195D84.8Confident83.5Confident8 Ų821.7 Ų21.74%0.04312%0.12CC..SBendtrans-61146.1178.4-81.7-9.8000112.2C1191 S1192 K1210 G1211 S1243 N1245C1191-D1195 WeakPolarHBondContact CA-OD2 3.17Å; C1191-D1195 HydrophobicContact CB-CB 4.01Å; C1191-D1195 VanDerWaalsContact CB-OD2 3.3Å; C1191-D1195 WeakPolarHBondContact CB-OD2 3.28Å; S1192-D1195 PolarHBondContact N-OD2 2.77Å; S1192-D1195 WeakPolarHBondContact O-CB 3.43Å; S1192-D1195 PolarHBondContact O-N 2.8Å; D1195-K1210 CarbonylContact O-C 3.6Å; D1195-K1210 WeakPolarHBondContact O-CA 3.29Å; D1195-G1211 PolarHBondContact O-N 3.21Å; D1195-S1243 VanDerWaalsContact CB-OG 3.29Å; D1195-S1243 WeakPolarHBondContact CB-OG 3.21Å; D1195-S1243 VanDerWaalsContact CG-OG 3.29Å; D1195-S1243 PolarHBondContact OD2-OG 3.33Å; D1195-N1245 PolarHBondContact OD1-ND2 3.06Å; D1195-N1245 PolarHBondContact OD1-OD1 3.01Å
1196T85.5Confident84.8Confident29 Ų2921.3 Ų21.318%0.17812%0.118CC..EExtended strand (participates in β ladder)trans-91.9118.9172.5-56.60000110.4L1198 R1208 K1210 V1244T1196-L1198 HydrophobicContact CG2-CD2 4.27Å; T1196-R1208 HydrophobicContact CG2-CB 4.34Å; T1196-K1210 VanDerWaalsContact OG1-CE 3.25Å; T1196-K1210 WeakPolarHBondContact OG1-CE 3.29Å; T1196-V1244 PolarHBondContact N-O 2.9Å; T1196-V1244 PolarHBondContact O-N 3.37Å
1197L88.6Confident85.9Confident0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-93.5123.7177.8-55.6165.8000110.4I1148 C1191 F1199 R1208 A1209 V1214 V1241I1148-L1197 HydrophobicContact CD1-CD1 3.12Å; I1148-L1197 HydrophobicContact CD1-CD2 4.17Å; I1148-L1197 HydrophobicContact CD1-CG 4.22Å; C1191-L1197 HydrophobicContact CB-CD2 4.17Å; L1197-F1199 HydrophobicContact CB-CD2 4.31Å; L1197-F1199 HydrophobicContact CB-CE2 3.51Å; L1197-F1199 HydrophobicContact CB-CZ 3.76Å; L1197-F1199 HydrophobicContact CD1-CE2 4.36Å; L1197-F1199 HydrophobicContact CD1-CZ 3.94Å; L1197-F1199 WeakPolarHBondContact O-CD2 3.49Å; L1197-R1208 VanDerWaalsContact O-CA 3.29Å; L1197-R1208 WeakPolarHBondContact O-CA 3.46Å; L1197-A1209 WeakPolarHBondContact CA-O 3.39Å; L1197-A1209 WeakPolarHBondContact CB-O 3.48Å; L1197-A1209 PolarHBondContact N-O 3.15Å; L1197-A1209 PolarHBondContact O-N 2.86Å; L1197-A1209 VanDerWaalsContact O-N 3.09Å; L1197-V1214 HydrophobicContact CD1-CG2 3.99Å; L1197-V1241 HydrophobicContact CB-CG1 4.26Å
1198L90.5Very high86.8Confident6 Ų623.2 Ų23.23%0.03112%0.121CC..EExtended strand (participates in β ladder)trans-100.7112175.8-59.3-174.9000110.4T1196 F1200 V1206 Y1207 R1208 V1241 I1242 V1244 L1254 I1274T1196-L1198 HydrophobicContact CG2-CD2 4.27Å; L1198-F1200 HydrophobicContact CB-CD2 4.45Å; L1198-F1200 HydrophobicContact CB-CE2 3.62Å; L1198-F1200 HydrophobicContact CB-CZ 4.04Å; L1198-F1200 HydrophobicContact CD1-CE2 4.45Å; L1198-F1200 HydrophobicContact CD1-CZ 4.27Å; L1198-F1200 WeakPolarHBondContact O-CD2 3.19Å; L1198-V1206 HydrophobicContact CB-CG2 4.06Å; L1198-Y1207 CarbonylContact C-O 3.48Å; L1198-Y1207 WeakPolarHBondContact CA-O 3.3Å; L1198-R1208 HydrophobicContact CD2-CB 4.17Å; L1198-V1241 VanDerWaalsContact O-CA 3.24Å; L1198-V1241 WeakPolarHBondContact O-CA 3.37Å; L1198-I1242 HydrophobicContact CB-CB 4.43Å; L1198-I1242 PolarHBondContact N-O 3.43Å; L1198-I1242 PolarHBondContact O-N 2.57Å; L1198-V1244 HydrophobicContact CD1-CG2 3.64Å; L1198-V1244 HydrophobicContact CG-CG2 4Å; L1198-L1254 HydrophobicContact CD1-CD1 4.38Å; L1198-I1274 HydrophobicContact CD2-CD1 3.42Å; L1198-I1274 VanDerWaalsContact CD2-CD1 3.42Å
1199F91.4Very high87.4Confident1 Ų121.5 Ų21.50%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-96.9108.6-177.5-59.9-96.2000110.9I1156 L1197 V1206 Y1207 A1209 I1226 L1230 I1238 V1241I1156-F1199 HydrophobicContact CD1-CE1 3.59Å; I1156-F1199 HydrophobicContact CD1-CZ 3.87Å; L1197-F1199 HydrophobicContact CB-CD2 4.31Å; L1197-F1199 HydrophobicContact CB-CE2 3.51Å; L1197-F1199 HydrophobicContact CB-CZ 3.76Å; L1197-F1199 HydrophobicContact CD1-CE2 4.36Å; L1197-F1199 HydrophobicContact CD1-CZ 3.94Å; L1197-F1199 WeakPolarHBondContact O-CD2 3.49Å; F1199-V1206 CarbonylContact O-C 3.56Å; F1199-V1206 VanDerWaalsContact O-CA 3.28Å; F1199-V1206 WeakPolarHBondContact O-CA 3.41Å; F1199-Y1207 PolarHBondContact N-O 3.32Å; F1199-Y1207 PolarHBondContact O-N 2.93Å; F1199-A1209 HydrophobicContact CE2-CB 3.88Å; F1199-I1226 HydrophobicContact CD1-CD1 3.85Å; F1199-I1226 HydrophobicContact CE1-CD1 4.04Å; F1199-L1230 HydrophobicContact CB-CD1 3.68Å; F1199-L1230 HydrophobicContact CD1-CD1 3.78Å; F1199-L1230 HydrophobicContact CD2-CD1 3.51Å; F1199-L1230 HydrophobicContact CD2-CD2 4.01Å; F1199-L1230 HydrophobicContact CD2-CG 4.41Å; F1199-L1230 HydrophobicContact CE1-CD1 4.29Å; F1199-L1230 HydrophobicContact CE2-CD1 4.04Å; F1199-L1230 HydrophobicContact CE2-CD2 4.12Å; F1199-L1230 HydrophobicContact CG-CD1 3.36Å; F1199-L1230 HydrophobicContact CZ-CD1 4.4Å; F1199-I1238 HydrophobicContact CB-CD1 4.05Å; F1199-I1238 HydrophobicContact CD1-CG2 4.48Å; F1199-V1241 HydrophobicContact CD1-CB 4.34Å; F1199-V1241 HydrophobicContact CD1-CG1 3.81Å; F1199-V1241 HydrophobicContact CD1-CG2 3.54Å; F1199-V1241 HydrophobicContact CE1-CG1 3.78Å; F1199-V1241 HydrophobicContact CE1-CG2 4Å; F1199-V1241 HydrophobicContact CG-CG1 4.27Å; F1199-V1241 HydrophobicContact CG-CG2 4.36Å; F1199-V1241 HydrophobicContact CZ-CG1 4.25Å
1200F92.2Very high87.8Confident0 Ų022.1 Ų22.10%011%0.114CC..EExtended strand (participates in β ladder)trans-95.6129.3-179.8-65.1-85.8000111.8L1198 R1205 V1206 I1238 Q1239 A1240 I1242 L1254 F1256 A1281 L1290 V1293L1198-F1200 HydrophobicContact CB-CD2 4.45Å; L1198-F1200 HydrophobicContact CB-CE2 3.62Å; L1198-F1200 HydrophobicContact CB-CZ 4.04Å; L1198-F1200 HydrophobicContact CD1-CE2 4.45Å; L1198-F1200 HydrophobicContact CD1-CZ 4.27Å; L1198-F1200 WeakPolarHBondContact O-CD2 3.19Å; F1200-R1205 CarbonylContact C-O 3.57Å; F1200-R1205 VanDerWaalsContact CA-O 3.32Å; F1200-R1205 WeakPolarHBondContact CA-O 3.16Å; F1200-V1206 HydrophobicContact CD1-CB 3.68Å; F1200-V1206 HydrophobicContact CD1-CG2 3.78Å; F1200-V1206 HydrophobicContact CD2-CG2 4.4Å; F1200-V1206 HydrophobicContact CE1-CB 3.52Å; F1200-V1206 HydrophobicContact CE1-CG1 4.34Å; F1200-V1206 HydrophobicContact CE1-CG2 3.41Å; F1200-V1206 VanDerWaalsContact CE1-CG2 3.41Å; F1200-V1206 HydrophobicContact CE2-CG2 4.07Å; F1200-V1206 HydrophobicContact CG-CB 4.48Å; F1200-V1206 HydrophobicContact CG-CG2 4.25Å; F1200-V1206 HydrophobicContact CZ-CB 4.19Å; F1200-V1206 HydrophobicContact CZ-CG2 3.54Å; F1200-I1238 WeakPolarHBondContact O-CA 3.4Å; F1200-Q1239 PolarHBondContact O-N 3.15Å; F1200-A1240 HydrophobicContact CB-CB 4.34Å; F1200-A1240 PolarHBondContact N-O 2.73Å; F1200-A1240 PolarHBondContact O-N 3.02Å; F1200-I1242 HydrophobicContact CD2-CG1 4.22Å; F1200-I1242 HydrophobicContact CE2-CB 4.29Å; F1200-I1242 HydrophobicContact CE2-CG1 3.86Å; F1200-L1254 HydrophobicContact CE1-CD1 4.22Å; F1200-L1254 HydrophobicContact CE2-CD1 4.22Å; F1200-L1254 HydrophobicContact CZ-CD1 3.45Å; F1200-L1254 VanDerWaalsContact CZ-CD1 3.45Å; F1200-F1256 AromaticContact CD1-CE1 3.75Å; F1200-F1256 HydrophobicContact CD1-CE1 3.75Å; F1200-F1256 HydrophobicContact CD1-CZ 4.46Å; F1200-F1256 AromaticContact CE1-CE1 3.63Å; F1200-F1256 HydrophobicContact CE1-CE1 3.63Å; F1200-F1256 AromaticContact CE1-CZ 3.89Å; F1200-F1256 HydrophobicContact CE1-CZ 3.89Å; F1200-A1281 HydrophobicContact CD1-CB 4.02Å; F1200-A1281 HydrophobicContact CE1-CB 3.93Å; F1200-L1290 HydrophobicContact CB-CD2 3.93Å; F1200-V1293 HydrophobicContact CB-CG2 3.94Å; F1200-V1293 HydrophobicContact CD1-CG2 4.07Å; F1200-V1293 HydrophobicContact CD2-CB 4.17Å; F1200-V1293 HydrophobicContact CD2-CG1 4.26Å; F1200-V1293 HydrophobicContact CD2-CG2 4.08Å; F1200-V1293 HydrophobicContact CE2-CG1 4.12Å; F1200-V1293 HydrophobicContact CG-CB 4.35Å; F1200-V1293 HydrophobicContact CG-CG2 3.75Å; F1200-V1293 HydrophobicContact CZ-CG1 4.3Å
1201T91.3Very high88Confident0 Ų018.6 Ų18.60%09%0.089CC..EExtended strand (participates in β ladder)trans-97.2159.3-176.5720000112.6S1203 G1204 R1205 Y1207 E1236 T1237 I1238 L1290T1201-S1203 PolarHBondContact O-N 2.83Å; T1201-S1203 PolarHBondContact OG1-OG 2.98Å; T1201-G1204 PolarHBondContact O-N 3.49Å; T1201-R1205 PolarHBondContact N-O 3.16Å; T1201-R1205 PolarHBondContact OG1-N 3.19Å; T1201-R1205 VanDerWaalsContact OG1-N 3.15Å; T1201-R1205 PolarHBondContact OG1-O 3.5Å; T1201-Y1207 HydrophobicContact CG2-CD2 3.92Å; T1201-Y1207 HydrophobicContact CG2-CE2 3.76Å; T1201-E1236 HydrophobicContact CG2-CB 4.28Å; T1201-E1236 WeakPolarHBondContact CG2-OE2 3.37Å; T1201-E1236 PolarHBondContact OG1-OE2 3.22Å; T1201-T1237 CarbonylContact C-O 3.58Å; T1201-T1237 VanDerWaalsContact CA-O 3.27Å; T1201-T1237 WeakPolarHBondContact CA-O 3.46Å; T1201-I1238 HydrophobicContact CG2-CD1 3.76Å; T1201-L1290 WeakPolarHBondContact O-CD2 3.47Å
1202N89.3Confident88.1Confident21 Ų2120.8 Ų20.811%0.11210%0.097CC..THydrogen-bonded Turntrans-59.3-27.2174.665.6-36.2000113.4G1204 E1236 T1237 Q1239 L1284 L1290N1202-G1204 PolarHBondContact O-N 3.19Å; N1202-E1236 WeakPolarHBondContact OD1-CA 3.3Å; N1202-T1237 VanDerWaalsContact CG-OG1 3.26Å; N1202-T1237 PolarHBondContact N-O 3.12Å; N1202-T1237 PolarHBondContact OD1-N 3.48Å; N1202-T1237 PolarHBondContact OD1-O 3.16Å; N1202-T1237 PolarHBondContact OD1-OG1 3.02Å; N1202-Q1239 HydrophobicContact CB-CG 3.63Å; N1202-L1284 WeakPolarHBondContact O-CD1 3.04Å; N1202-L1290 PolarHBondContact O-N 2.78Å; N1202-L1290 VanDerWaalsContact O-N 3.09Å
1203S90.2Very high88.1Confident47 Ų4725 Ų2533%0.32912%0.116SC..THydrogen-bonded Turntrans-78.2-2.5175.469.90000113.6T1201 E1236 L1284T1201-S1203 PolarHBondContact O-N 2.83Å; T1201-S1203 PolarHBondContact OG1-OG 2.98Å; S1203-E1236 WeakPolarHBondContact OG-CG 3.2Å; S1203-E1236 PolarHBondContact OG-OE1 2.93Å; S1203-E1236 PolarHBondContact OG-OE2 2.8Å; S1203-L1284 WeakPolarHBondContact O-CD1 3.44Å
1204G90.2Very high88.2Confident0 Ų024.9 Ų24.90%012%0.115CC..SBendtrans8522.8177.200000114.2T1201 N1202 A1281 I1282T1201-G1204 PolarHBondContact O-N 3.49Å; N1202-G1204 PolarHBondContact O-N 3.19Å; G1204-A1281 WeakPolarHBondContact O-CA 3.38Å; G1204-A1281 WeakPolarHBondContact O-CB 3.33Å; G1204-A1281 PolarHBondContact O-N 3.49Å; G1204-I1282 PolarHBondContact O-N 2.91Å; G1204-I1282 VanDerWaalsContact O-N 3.11Å
1205R91.7Very high88.2Confident56 Ų5624.5 Ų24.521%0.21112%0.117CC..EExtended strand (participates in β ladder)trans-98.4162.4172.3-62.1175.883.4162.8-4.7111.5F1200 T1201 Y1207 D1233 E1236 N1277 L1279F1200-R1205 CarbonylContact C-O 3.57Å; F1200-R1205 VanDerWaalsContact CA-O 3.32Å; F1200-R1205 WeakPolarHBondContact CA-O 3.16Å; T1201-R1205 PolarHBondContact N-O 3.16Å; T1201-R1205 PolarHBondContact OG1-N 3.19Å; T1201-R1205 VanDerWaalsContact OG1-N 3.15Å; T1201-R1205 PolarHBondContact OG1-O 3.5Å; R1205-Y1207 HydrophobicContact CB-CE2 4.01Å; R1205-D1233 IonicContact NH1-OD2 3.66Å; R1205-D1233 PolarHBondContact NH1-OD2 2.76Å; R1205-D1233 VanDerWaalsContact NH1-OD2 3.15Å; R1205-E1236 WeakPolarHBondContact CD-OE1 3.46Å; R1205-E1236 IonicContact NH1-OE1 2.78Å; R1205-N1277 PolarHBondContact NH2-O 3.29Å; R1205-L1279 CarbonylContact C-O 3.58Å; R1205-L1279 WeakPolarHBondContact CA-O 3.21Å
1206V92.4Very high88.2Confident0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-128.7139.2173.464.70000110.6L1198 F1199 F1200 F1271 I1274 G1278 L1279 A1281L1198-V1206 HydrophobicContact CB-CG2 4.06Å; F1199-V1206 CarbonylContact O-C 3.56Å; F1199-V1206 VanDerWaalsContact O-CA 3.28Å; F1199-V1206 WeakPolarHBondContact O-CA 3.41Å; F1200-V1206 HydrophobicContact CD1-CB 3.68Å; F1200-V1206 HydrophobicContact CD1-CG2 3.78Å; F1200-V1206 HydrophobicContact CD2-CG2 4.4Å; F1200-V1206 HydrophobicContact CE1-CB 3.52Å; F1200-V1206 HydrophobicContact CE1-CG1 4.34Å; F1200-V1206 HydrophobicContact CE1-CG2 3.41Å; F1200-V1206 VanDerWaalsContact CE1-CG2 3.41Å; F1200-V1206 HydrophobicContact CE2-CG2 4.07Å; F1200-V1206 HydrophobicContact CG-CB 4.48Å; F1200-V1206 HydrophobicContact CG-CG2 4.25Å; F1200-V1206 HydrophobicContact CZ-CB 4.19Å; F1200-V1206 HydrophobicContact CZ-CG2 3.54Å; V1206-F1271 HydrophobicContact CG1-CD1 3.67Å; V1206-F1271 HydrophobicContact CG1-CE1 3.82Å; V1206-I1274 HydrophobicContact CG1-CD1 4.14Å; V1206-I1274 HydrophobicContact CG1-CG1 4.44Å; V1206-I1274 HydrophobicContact CG2-CD1 4.02Å; V1206-G1278 CarbonylContact O-C 3.58Å; V1206-G1278 WeakPolarHBondContact O-CA 3.15Å; V1206-L1279 HydrophobicContact CG1-CB 4Å; V1206-L1279 PolarHBondContact N-O 3.44Å; V1206-L1279 PolarHBondContact O-N 2.96Å; V1206-A1281 HydrophobicContact CB-CB 4.16Å; V1206-A1281 HydrophobicContact CG1-CB 4.11Å
1207Y91.5Very high88.1Confident4 Ų432.6 Ų32.62%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-122.1161.5173.3-64.2-99.6000108.9L1198 F1199 T1201 R1205 L1230 I1232L1198-Y1207 CarbonylContact C-O 3.48Å; L1198-Y1207 WeakPolarHBondContact CA-O 3.3Å; F1199-Y1207 PolarHBondContact N-O 3.32Å; F1199-Y1207 PolarHBondContact O-N 2.93Å; T1201-Y1207 HydrophobicContact CG2-CD2 3.92Å; T1201-Y1207 HydrophobicContact CG2-CE2 3.76Å; R1205-Y1207 HydrophobicContact CB-CE2 4.01Å; Y1207-L1230 HydrophobicContact CD1-CB 4.4Å; Y1207-L1230 WeakPolarHBondContact CD1-O 3.41Å; Y1207-L1230 HydrophobicContact CG-CB 4.49Å; Y1207-I1232 HydrophobicContact CD1-CG2 4.12Å; Y1207-I1232 HydrophobicContact CD2-CG2 3.68Å; Y1207-I1232 HydrophobicContact CE1-CG2 4Å; Y1207-I1232 HydrophobicContact CE2-CB 4.28Å; Y1207-I1232 HydrophobicContact CE2-CG2 3.57Å; Y1207-I1232 HydrophobicContact CG-CG2 3.98Å
1208R89Confident87.2Confident116 Ų11634.5 Ų34.544%0.43817%0.169SC..EExtended strand (participates in β ladder)trans-126.4146.5175.775174.7178.5-166.24111.6T1196 L1197 L1198 S1272 I1274T1196-R1208 HydrophobicContact CG2-CB 4.34Å; L1197-R1208 VanDerWaalsContact O-CA 3.29Å; L1197-R1208 WeakPolarHBondContact O-CA 3.46Å; L1198-R1208 HydrophobicContact CD2-CB 4.17Å; R1208-S1272 PolarHBondContact NH1-O 2.98Å; R1208-S1272 VanDerWaalsContact NH1-O 3.14Å; R1208-I1274 HydrophobicContact CB-CB 4.25Å; R1208-I1274 HydrophobicContact CB-CD1 3.96Å; R1208-I1274 HydrophobicContact CG-CB 4.01Å; R1208-I1274 HydrophobicContact CG-CG2 4.41Å; R1208-I1274 VanDerWaalsContact CZ-O 3.23Å; R1208-I1274 PolarHBondContact NE-O 3.48Å; R1208-I1274 VanDerWaalsContact NE-O 3.15Å; R1208-I1274 PolarHBondContact NH2-O 3.31Å
1209A87.9Confident86.1Confident4 Ų440.3 Ų40.33%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-148.5155.4160.300000109.2L1197 F1199 E1213 L1230L1197-A1209 WeakPolarHBondContact CA-O 3.39Å; L1197-A1209 WeakPolarHBondContact CB-O 3.48Å; L1197-A1209 PolarHBondContact N-O 3.15Å; L1197-A1209 PolarHBondContact O-N 2.86Å; L1197-A1209 VanDerWaalsContact O-N 3.09Å; F1199-A1209 HydrophobicContact CE2-CB 3.88Å; A1209-E1213 WeakPolarHBondContact CA-OE2 3.41Å; A1209-E1213 HydrophobicContact CB-CB 4.33Å; A1209-E1213 WeakPolarHBondContact CB-OE2 3.24Å; A1209-L1230 HydrophobicContact CB-CD2 3.84Å
1210K85.2Confident84.9Confident39 Ų3946.1 Ų46.117%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-79.3155.1170.4-71.8-82.9179.1152.50110.6E1138 H1194 D1195 T1196 Y1212 E1213E1138-K1210 WeakPolarHBondContact OE1-CE 3.2Å; E1138-K1210 IonicContact OE1-NZ 2.78Å; E1138-K1210 PolarHBondContact OE1-NZ 3.06Å; E1138-K1210 IonicContact OE2-NZ 3.65Å; H1194-K1210 WeakPolarHBondContact O-CD 3.31Å; H1194-K1210 PolarHBondContact O-NZ 3.15Å; D1195-K1210 CarbonylContact O-C 3.6Å; D1195-K1210 WeakPolarHBondContact O-CA 3.29Å; T1196-K1210 VanDerWaalsContact OG1-CE 3.25Å; T1196-K1210 WeakPolarHBondContact OG1-CE 3.29Å; K1210-Y1212 HydrophobicContact CB-CD1 3.7Å; K1210-Y1212 HydrophobicContact CB-CE1 3.45Å; K1210-Y1212 VanDerWaalsContact CB-CE1 3.45Å; K1210-Y1212 HydrophobicContact CB-CE2 4.37Å; K1210-Y1212 HydrophobicContact CB-CG 4.25Å; K1210-Y1212 HydrophobicContact CD-CE1 4.16Å; K1210-Y1212 HydrophobicContact CG-CD1 4.45Å; K1210-Y1212 HydrophobicContact CG-CE1 3.75Å; K1210-Y1212 PolarHBondContact O-N 3.26Å; K1210-E1213 HydrophobicContact CB-CG 4.07Å; K1210-E1213 PolarHBondContact N-OE2 3.29Å; K1210-E1213 WeakPolarHBondContact O-CB 3.43Å; K1210-E1213 PolarHBondContact O-N 3.45Å
1211G83.5Confident84.1Confident0 Ų047.6 Ų47.60%024%0.239CC..G310 helixtrans-53.6-39.8177.500000113.3T1193 D1195 E1213 V1214T1193-G1211 CarbonylContact O-C 3.56Å; T1193-G1211 VanDerWaalsContact O-CA 3.3Å; T1193-G1211 WeakPolarHBondContact O-CA 3.22Å; T1193-G1211 PolarHBondContact O-N 2.87Å; D1195-G1211 PolarHBondContact O-N 3.21Å; G1211-E1213 VanDerWaalsContact C-N 3.32Å; G1211-E1213 PolarHBondContact O-N 3.49Å; G1211-V1214 PolarHBondContact O-N 3.03Å
1212Y84.6Confident83.2Confident53 Ų5352 Ų5221%0.20826%0.258CS..G310 helixtrans-72.1-20.3178.269-107.2000114.5E1138 I1141 T1193 K1210 V1214E1138-Y1212 HydrophobicContact CG-CE1 4.34Å; I1141-Y1212 HydrophobicContact CD1-CD1 3.84Å; I1141-Y1212 HydrophobicContact CD1-CD2 3.11Å; I1141-Y1212 HydrophobicContact CD1-CE1 4.11Å; I1141-Y1212 HydrophobicContact CD1-CE2 3.43Å; I1141-Y1212 VanDerWaalsContact CD1-CE2 3.43Å; I1141-Y1212 HydrophobicContact CD1-CG 3.35Å; I1141-Y1212 HydrophobicContact CG2-CD1 4.48Å; I1141-Y1212 HydrophobicContact CG2-CG 4.16Å; T1193-Y1212 VanDerWaalsContact O-CD1 3.3Å; T1193-Y1212 WeakPolarHBondContact O-CD1 3.23Å; T1193-Y1212 PolarHBondContact O-N 2.63Å; K1210-Y1212 HydrophobicContact CB-CD1 3.7Å; K1210-Y1212 HydrophobicContact CB-CE1 3.45Å; K1210-Y1212 VanDerWaalsContact CB-CE1 3.45Å; K1210-Y1212 HydrophobicContact CB-CE2 4.37Å; K1210-Y1212 HydrophobicContact CB-CG 4.25Å; K1210-Y1212 HydrophobicContact CD-CE1 4.16Å; K1210-Y1212 HydrophobicContact CG-CD1 4.45Å; K1210-Y1212 HydrophobicContact CG-CE1 3.75Å; K1210-Y1212 PolarHBondContact O-N 3.26Å; Y1212-V1214 PolarHBondContact O-N 3.31Å
1213E84Confident82.9Confident95 Ų9551.7 Ų51.744%0.44426%0.259SS..G310 helixtrans-75.1-19.1175.7-67179.5132.800111.3A1209 K1210 G1211 P1215 L1229A1209-E1213 WeakPolarHBondContact CA-OE2 3.41Å; A1209-E1213 HydrophobicContact CB-CB 4.33Å; A1209-E1213 WeakPolarHBondContact CB-OE2 3.24Å; K1210-E1213 HydrophobicContact CB-CG 4.07Å; K1210-E1213 PolarHBondContact N-OE2 3.29Å; K1210-E1213 WeakPolarHBondContact O-CB 3.43Å; K1210-E1213 PolarHBondContact O-N 3.45Å; G1211-E1213 VanDerWaalsContact C-N 3.32Å; G1211-E1213 PolarHBondContact O-N 3.49Å; E1213-P1215 WeakPolarHBondContact O-CD 3.45Å; E1213-L1229 WeakPolarHBondContact O-CD1 3.38Å
1214V85.6Confident82.8Confident0 Ų051.2 Ų51.20%025%0.252CS..SBendtrans-78.5116172.9-175.20000108.8I1148 I1156 R1158 L1197 G1211 Y1212 E1216 L1229I1148-V1214 HydrophobicContact CD1-CB 4.32Å; I1148-V1214 HydrophobicContact CD1-CG2 4Å; I1148-V1214 HydrophobicContact CG2-CG1 4.37Å; I1156-V1214 HydrophobicContact CD1-CG1 3.97Å; I1156-V1214 HydrophobicContact CD1-CG2 3.96Å; I1156-V1214 HydrophobicContact CG1-CG1 3.81Å; R1158-V1214 HydrophobicContact CB-CB 4.34Å; R1158-V1214 HydrophobicContact CB-CG1 4.11Å; R1158-V1214 WeakPolarHBondContact CB-O 3.29Å; L1197-V1214 HydrophobicContact CD1-CG2 3.99Å; G1211-V1214 PolarHBondContact O-N 3.03Å; Y1212-V1214 PolarHBondContact O-N 3.31Å; V1214-E1216 PolarHBondContact O-N 2.98Å; V1214-L1229 HydrophobicContact CG2-CD2 3.99Å
1215P83.1Confident82.6Confident36 Ų3653.1 Ų53.123%0.23427%0.265CS..PPolyproline II helixtrans-64.6140.3-174.825.7-35.5000111.9R1158 E1213 Y1217 I1224R1158-P1215 PolarHBondContact N-O 3.45Å; E1213-P1215 WeakPolarHBondContact O-CD 3.45Å; P1215-Y1217 HydrophobicContact CB-CD2 4.17Å; P1215-Y1217 HydrophobicContact CB-CE2 3.65Å; P1215-Y1217 HydrophobicContact CG-CD2 4.24Å; P1215-Y1217 HydrophobicContact CG-CE2 3.63Å; P1215-Y1217 WeakPolarHBondContact O-CD2 3.2Å; P1215-I1224 HydrophobicContact CG-CB 4.44Å; P1215-I1224 HydrophobicContact CG-CD1 3.53Å; P1215-I1224 HydrophobicContact CG-CG1 3.59Å; P1215-I1224 HydrophobicContact CG-CG2 4.06Å
1216E85.5Confident82.4Confident118 Ų11850.8 Ų50.855%0.55126%0.257SS*.BIsolated β-bridgetrans-76.5132.1176.1-166.6179.2157.200111.3R1158 V1214R1158-E1216 IonicContact CZ-OE2 3.08Å; R1158-E1216 IonicContact NE-OE2 3.66Å; R1158-E1216 IonicContact NH2-OE2 3.98Å; R1158-E1216 PolarHBondContact NH2-OE2 3.02Å; R1158-E1216 WeakPolarHBondContact O-CA 3.32Å; V1214-E1216 PolarHBondContact O-N 2.98Å
1217Y82.1Confident82.1Confident88 Ų8854.4 Ų54.435%0.34528%0.275SS..  trans-144142.8176.3-75.8-79.9000109.9K1157 R1158 P1215 A1221 I1224K1157-Y1217 HydrophobicContact CB-CD2 3.89Å; K1157-Y1217 HydrophobicContact CB-CG 4.4Å; R1158-Y1217 PolarHBondContact O-N 3.2Å; P1215-Y1217 HydrophobicContact CB-CD2 4.17Å; P1215-Y1217 HydrophobicContact CB-CE2 3.65Å; P1215-Y1217 HydrophobicContact CG-CD2 4.24Å; P1215-Y1217 HydrophobicContact CG-CE2 3.63Å; P1215-Y1217 WeakPolarHBondContact O-CD2 3.2Å; Y1217-A1221 HydrophobicContact CD1-CB 3.89Å; Y1217-A1221 HydrophobicContact CG-CB 4.24Å; Y1217-I1224 HydrophobicContact CE2-CG2 3.91Å; Y1217-I1224 WeakPolarHBondContact OH-CG2 3.32Å
1218G70.2Confident81.7Confident41 Ų4160.2 Ų60.242%0.42331%0.307SS..  trans-61.2163.5173.600000113.5K1157 T1220 A1221K1157-G1218 PolarHBondContact NZ-O 3.17Å; K1157-G1218 VanDerWaalsContact NZ-O 3.11Å; G1218-T1220 PolarHBondContact O-N 3.41Å; G1218-A1221 PolarHBondContact O-N 3.33Å
1219R67.3Low81.5Confident128 Ų12857 Ų5748%0.48330%0.298SS..THydrogen-bonded Turntrans-47-38.9-177.3-135.5171.162-179-6.2115.8K1157 E1163K1157-R1219 VanDerWaalsContact NZ-C 3.33Å; K1157-R1219 PolarHBondContact NZ-O 3.27Å; E1163-R1219 PolarHBondContact O-NH1 2.81Å; E1163-R1219 WeakPolarHBondContact OE2-CA 3.31Å; E1163-R1219 WeakPolarHBondContact OE2-CB 3.42Å; E1163-R1219 VanDerWaalsContact OE2-CG 3.25Å; E1163-R1219 WeakPolarHBondContact OE2-CG 3.32Å; E1163-R1219 PolarHBondContact OE2-N 2.79Å
1220T67.2Low81.3Confident122 Ų12257.5 Ų57.575%0.74830%0.3SS*.THydrogen-bonded Turntrans-85.7-16.8-173.553.40000114G1218G1218-T1220 PolarHBondContact O-N 3.41Å
1221A73.7Confident81.1Confident32 Ų3258.2 Ų58.226%0.26432%0.318SS..SBendtrans-77.2147.8179.200000111.3K1157 Y1217 G1218 G1223K1157-A1221 PolarHBondContact NZ-O 2.88Å; Y1217-A1221 HydrophobicContact CD1-CB 3.89Å; Y1217-A1221 HydrophobicContact CG-CB 4.24Å; G1218-A1221 PolarHBondContact O-N 3.33Å; A1221-G1223 VanDerWaalsContact C-N 3.33Å; A1221-G1223 PolarHBondContact O-N 3.47Å
1222K73.1Confident81.1Confident92 Ų9258.6 Ų58.640%0.432%0.32SS..  trans-70.8-27.9-177.3-68.9-175.6-178.3176.60113.1Y1155Y1155-K1222 WeakPolarHBondContact CB-O 3.47Å; Y1155-K1222 HydrophobicContact CD1-CB 4.19Å
1223G83.5Confident80.9Confident14 Ų1459.9 Ų59.914%0.14433%0.331CS..  trans87.7-168.2-166.800000112.2I1156 A1221I1156-G1223 WeakPolarHBondContact O-CA 3.18Å; A1221-G1223 VanDerWaalsContact C-N 3.33Å; A1221-G1223 PolarHBondContact O-N 3.47Å
1224I87.5Confident80.7Confident37 Ų3761 Ų6119%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-101.5149.5174.758.6165.4000110.9Y1155 I1156 P1215 Y1217 I1226 L1229Y1155-I1224 CarbonylContact C-O 3.55Å; Y1155-I1224 WeakPolarHBondContact CA-O 3.35Å; I1156-I1224 HydrophobicContact CG2-CD1 4.48Å; I1156-I1224 HydrophobicContact CG2-CG1 3.89Å; I1156-I1224 PolarHBondContact N-O 3.26Å; I1156-I1224 PolarHBondContact O-N 3.06Å; P1215-I1224 HydrophobicContact CG-CB 4.44Å; P1215-I1224 HydrophobicContact CG-CD1 3.53Å; P1215-I1224 HydrophobicContact CG-CG1 3.59Å; P1215-I1224 HydrophobicContact CG-CG2 4.06Å; Y1217-I1224 HydrophobicContact CE2-CG2 3.91Å; Y1217-I1224 WeakPolarHBondContact OH-CG2 3.32Å; I1224-I1226 PolarHBondContact O-N 3.31Å; I1224-L1229 HydrophobicContact CD1-CB 3.85Å; I1224-L1229 HydrophobicContact CD1-CD1 4.21Å; I1224-L1229 HydrophobicContact CD1-CG 4.46Å
1225P86.4Confident80.5Confident41 Ų4166.7 Ų66.727%0.26638%0.379SS..EExtended strand (participates in β ladder)trans-57.8128.1167.7-2232.8000110.6G1154 Y1155 I1227 N1228G1154-P1225 CarbonylContact O-C 3.55Å; G1154-P1225 WeakPolarHBondContact O-CA 3.35Å; Y1155-P1225 HydrophobicContact CD1-CG 4.22Å; Y1155-P1225 HydrophobicContact CE1-CG 3.78Å; P1225-I1227 PolarHBondContact O-N 3.33Å; P1225-I1227 VanDerWaalsContact O-N 3.16Å; P1225-N1228 WeakPolarHBondContact O-CB 3.31Å; P1225-N1228 PolarHBondContact O-N 3.44Å
1226I86.7Confident80.6Confident6 Ų665.7 Ų65.73%0.03137%0.371CS..Hα-helixtrans-60.5-26.6-179.4-168158.9000112.6L1150 G1154 I1156 F1199 I1224 N1228 L1229 L1230 I1232 I1238L1150-I1226 HydrophobicContact CD1-CB 4.09Å; L1150-I1226 HydrophobicContact CD1-CD1 3.63Å; L1150-I1226 HydrophobicContact CD1-CG1 4.46Å; L1150-I1226 HydrophobicContact CD1-CG2 4.32Å; L1150-I1226 HydrophobicContact CD2-CD1 4.02Å; L1150-I1226 HydrophobicContact CG-CD1 4.49Å; G1154-I1226 WeakPolarHBondContact O-CB 3.42Å; G1154-I1226 VanDerWaalsContact O-CG2 3.26Å; G1154-I1226 WeakPolarHBondContact O-CG2 3.38Å; G1154-I1226 PolarHBondContact O-N 2.95Å; I1156-I1226 HydrophobicContact CB-CB 4.45Å; I1156-I1226 HydrophobicContact CD1-CD1 4.2Å; I1156-I1226 HydrophobicContact CG2-CB 4.22Å; I1156-I1226 HydrophobicContact CG2-CG1 4.39Å; F1199-I1226 HydrophobicContact CD1-CD1 3.85Å; F1199-I1226 HydrophobicContact CE1-CD1 4.04Å; I1224-I1226 PolarHBondContact O-N 3.31Å; I1226-N1228 PolarHBondContact O-N 2.98Å; I1226-L1229 PolarHBondContact O-N 3.47Å; I1226-L1229 VanDerWaalsContact O-N 3.15Å; I1226-L1230 HydrophobicContact CD1-CD1 3.94Å; I1226-L1230 HydrophobicContact CG1-CD1 3.72Å; I1226-L1230 HydrophobicContact CG1-CG 4.22Å; I1226-L1230 PolarHBondContact O-N 3.4Å; I1226-I1232 HydrophobicContact CG2-CD1 3.85Å; I1226-I1238 HydrophobicContact CD1-CD1 4.29Å; I1226-I1238 HydrophobicContact CD1-CG1 3.53Å; I1226-I1238 HydrophobicContact CG1-CG1 4.47Å
1227I86Confident80.6Confident77 Ų7763.1 Ų63.140%0.39536%0.364SS..Hα-helixtrans-59.4-35.1172.5-58.1171.1000111P1225 G1231 I1232P1225-I1227 PolarHBondContact O-N 3.33Å; P1225-I1227 VanDerWaalsContact O-N 3.16Å; I1227-G1231 VanDerWaalsContact O-CA 3.25Å; I1227-G1231 WeakPolarHBondContact O-CA 3.35Å; I1227-G1231 PolarHBondContact O-N 2.82Å; I1227-I1232 HydrophobicContact CB-CG1 4.3Å; I1227-I1232 HydrophobicContact CG1-CD1 4.06Å; I1227-I1232 HydrophobicContact CG1-CG1 3.68Å
1228N83.8Confident80.9Confident126 Ų12659.3 Ų59.367%0.67435%0.349SS*.Hα-helixtrans-77.6-26.6178.4-63.4-8.1000112.4P1225 I1226P1225-N1228 WeakPolarHBondContact O-CB 3.31Å; P1225-N1228 PolarHBondContact O-N 3.44Å; I1226-N1228 PolarHBondContact O-N 2.98Å
1229L84.3Confident81.6Confident47 Ų4759.7 Ų59.725%0.24634%0.34CS..Hα-helixtrans-78.9-48.9177-176.264.4000111.7I1156 E1213 V1214 I1224 I1226I1156-L1229 HydrophobicContact CD1-CD2 4.23Å; I1156-L1229 HydrophobicContact CG2-CD2 3.96Å; E1213-L1229 WeakPolarHBondContact O-CD1 3.38Å; V1214-L1229 HydrophobicContact CG2-CD2 3.99Å; I1224-L1229 HydrophobicContact CD1-CB 3.85Å; I1224-L1229 HydrophobicContact CD1-CD1 4.21Å; I1224-L1229 HydrophobicContact CD1-CG 4.46Å; I1226-L1229 PolarHBondContact O-N 3.47Å; I1226-L1229 VanDerWaalsContact O-N 3.15Å
1230L84.8Confident82.4Confident15 Ų1554 Ų548%0.07932%0.32CS..Hα-helixtrans-106.7-12-168.5-62.6176.9000114.4F1199 Y1207 A1209 I1226 I1232F1199-L1230 HydrophobicContact CB-CD1 3.68Å; F1199-L1230 HydrophobicContact CD1-CD1 3.78Å; F1199-L1230 HydrophobicContact CD2-CD1 3.51Å; F1199-L1230 HydrophobicContact CD2-CD2 4.01Å; F1199-L1230 HydrophobicContact CD2-CG 4.41Å; F1199-L1230 HydrophobicContact CE1-CD1 4.29Å; F1199-L1230 HydrophobicContact CE2-CD1 4.04Å; F1199-L1230 HydrophobicContact CE2-CD2 4.12Å; F1199-L1230 HydrophobicContact CG-CD1 3.36Å; F1199-L1230 HydrophobicContact CZ-CD1 4.4Å; Y1207-L1230 HydrophobicContact CD1-CB 4.4Å; Y1207-L1230 WeakPolarHBondContact CD1-O 3.41Å; Y1207-L1230 HydrophobicContact CG-CB 4.49Å; A1209-L1230 HydrophobicContact CB-CD2 3.84Å; I1226-L1230 HydrophobicContact CD1-CD1 3.94Å; I1226-L1230 HydrophobicContact CG1-CD1 3.72Å; I1226-L1230 HydrophobicContact CG1-CG 4.22Å; I1226-L1230 PolarHBondContact O-N 3.4Å; L1230-I1232 HydrophobicContact CB-CG2 3.87Å; L1230-I1232 PolarHBondContact O-N 3.31Å
1231G80.9Confident83.4Confident54 Ų5448.9 Ų48.956%0.55729%0.289SS*.  trans65.434-176.200000114I1227I1227-G1231 VanDerWaalsContact O-CA 3.25Å; I1227-G1231 WeakPolarHBondContact O-CA 3.35Å; I1227-G1231 PolarHBondContact O-N 2.82Å
1232I83.3Confident84Confident8 Ų848.6 Ų48.64%0.04128%0.283CS..  trans-70150.4177.270-179.9000111.4Y1207 I1226 I1227 L1230 I1238Y1207-I1232 HydrophobicContact CD1-CG2 4.12Å; Y1207-I1232 HydrophobicContact CD2-CG2 3.68Å; Y1207-I1232 HydrophobicContact CE1-CG2 4Å; Y1207-I1232 HydrophobicContact CE2-CB 4.28Å; Y1207-I1232 HydrophobicContact CE2-CG2 3.57Å; Y1207-I1232 HydrophobicContact CG-CG2 3.98Å; I1226-I1232 HydrophobicContact CG2-CD1 3.85Å; I1227-I1232 HydrophobicContact CB-CG1 4.3Å; I1227-I1232 HydrophobicContact CG1-CD1 4.06Å; I1227-I1232 HydrophobicContact CG1-CG1 3.68Å; L1230-I1232 HydrophobicContact CB-CG2 3.87Å; L1230-I1232 PolarHBondContact O-N 3.31Å; I1232-I1238 HydrophobicContact CD1-CD1 4.02Å; I1232-I1238 HydrophobicContact CD1-CG1 4.49Å; I1232-I1238 HydrophobicContact CG2-CD1 4.46Å
1233D81Confident84.6Confident81 Ų8146 Ų4643%0.43328%0.277SS..  trans-66.5145.5176.9-77.7-52.1000110.9R1205 N1235 E1236R1205-D1233 IonicContact NH1-OD2 3.66Å; R1205-D1233 PolarHBondContact NH1-OD2 2.76Å; R1205-D1233 VanDerWaalsContact NH1-OD2 3.15Å; D1233-N1235 VanDerWaalsContact CB-OD1 3.32Å; D1233-N1235 WeakPolarHBondContact CB-OD1 3.38Å; D1233-N1235 PolarHBondContact O-N 3.4Å; D1233-E1236 HydrophobicContact CB-CG 4.03Å; D1233-E1236 WeakPolarHBondContact O-CB 3.41Å; D1233-E1236 PolarHBondContact O-N 2.91Å
1234S78.2Confident84.3Confident117 Ų11746.8 Ų46.882%0.81828%0.278SS*.THydrogen-bonded Turntrans-61.2-15.5-174.259.90000116
1235N83Confident83.5Confident120 Ų12050.7 Ų50.764%0.64230%0.299SS*.THydrogen-bonded Turntrans-96-2.1175.263.8-25.5000113.2D1233D1233-N1235 VanDerWaalsContact CB-OD1 3.32Å; D1233-N1235 WeakPolarHBondContact CB-OD1 3.38Å; D1233-N1235 PolarHBondContact O-N 3.4Å
1236E84.5Confident82.4Confident15 Ų1551.4 Ų51.47%0.0732%0.315CS..  trans-95.9135.9178.6-62.3-167.2172.100111T1201 N1202 S1203 R1205 D1233T1201-E1236 HydrophobicContact CG2-CB 4.28Å; T1201-E1236 WeakPolarHBondContact CG2-OE2 3.37Å; T1201-E1236 PolarHBondContact OG1-OE2 3.22Å; N1202-E1236 WeakPolarHBondContact OD1-CA 3.3Å; S1203-E1236 WeakPolarHBondContact OG-CG 3.2Å; S1203-E1236 PolarHBondContact OG-OE1 2.93Å; S1203-E1236 PolarHBondContact OG-OE2 2.8Å; R1205-E1236 WeakPolarHBondContact CD-OE1 3.46Å; R1205-E1236 IonicContact NH1-OE1 2.78Å; D1233-E1236 HydrophobicContact CB-CG 4.03Å; D1233-E1236 WeakPolarHBondContact O-CB 3.41Å; D1233-E1236 PolarHBondContact O-N 2.91Å
1237T85.3Confident81Confident65 Ų6559.8 Ų59.840%0.39935%0.354SS..  trans-124138.2175.254.20000109.2T1201 N1202 Q1239T1201-T1237 CarbonylContact C-O 3.58Å; T1201-T1237 VanDerWaalsContact CA-O 3.27Å; T1201-T1237 WeakPolarHBondContact CA-O 3.46Å; N1202-T1237 VanDerWaalsContact CG-OG1 3.26Å; N1202-T1237 PolarHBondContact N-O 3.12Å; N1202-T1237 PolarHBondContact OD1-N 3.48Å; N1202-T1237 PolarHBondContact OD1-O 3.16Å; N1202-T1237 PolarHBondContact OD1-OG1 3.02Å; T1237-Q1239 PolarHBondContact O-N 2.97Å; T1237-Q1239 PolarHBondContact OG1-NE2 2.91Å
1238I88.3Confident79.8Confident7 Ų757.6 Ų57.64%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-68.8134175.9-53-47.5000109.6L1150 K1186 F1199 F1200 T1201 I1226 I1232 V1241L1150-I1238 HydrophobicContact CD2-CB 3.64Å; L1150-I1238 HydrophobicContact CD2-CG1 4Å; L1150-I1238 HydrophobicContact CD2-CG2 3.85Å; K1186-I1238 PolarHBondContact NZ-O 3.46Å; F1199-I1238 HydrophobicContact CB-CD1 4.05Å; F1199-I1238 HydrophobicContact CD1-CG2 4.48Å; F1200-I1238 WeakPolarHBondContact O-CA 3.4Å; T1201-I1238 HydrophobicContact CG2-CD1 3.76Å; I1226-I1238 HydrophobicContact CD1-CD1 4.29Å; I1226-I1238 HydrophobicContact CD1-CG1 3.53Å; I1226-I1238 HydrophobicContact CG1-CG1 4.47Å; I1232-I1238 HydrophobicContact CD1-CD1 4.02Å; I1232-I1238 HydrophobicContact CD1-CG1 4.49Å; I1232-I1238 HydrophobicContact CG2-CD1 4.46Å; I1238-V1241 HydrophobicContact CG2-CG2 3.5Å
1239Q85.2Confident78.8Confident50 Ų5058.1 Ų58.123%0.23435%0.345CS..EExtended strand (participates in β ladder)trans-114.6-33.9-179.2-62.7-61.8-25.400112.3K1186 F1200 N1202 T1237 L1290K1186-Q1239 VanDerWaalsContact NZ-OE1 3.16Å; F1200-Q1239 PolarHBondContact O-N 3.15Å; N1202-Q1239 HydrophobicContact CB-CG 3.63Å; T1237-Q1239 PolarHBondContact O-N 2.97Å; T1237-Q1239 PolarHBondContact OG1-NE2 2.91Å; Q1239-L1290 WeakPolarHBondContact CG-O 3.2Å
1240A84.7Confident78Confident7 Ų762.6 Ų62.66%0.05837%0.369CS..EExtended strand (participates in β ladder)trans-142.7150.1174.100000109.8F1200 V1293F1200-A1240 HydrophobicContact CB-CB 4.34Å; F1200-A1240 PolarHBondContact N-O 2.73Å; F1200-A1240 PolarHBondContact O-N 3.02Å; A1240-V1293 HydrophobicContact CB-CB 3.94Å; A1240-V1293 HydrophobicContact CB-CG2 4.12Å
1241V87.9Confident77.5Confident16 Ų1663.9 Ų63.910%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-133.1128.1170.6-174.40000107T1187 I1189 L1197 L1198 F1199 I1238T1187-V1241 HydrophobicContact CG2-CG2 4.43Å; I1189-V1241 HydrophobicContact CD1-CB 3.22Å; I1189-V1241 HydrophobicContact CD1-CG1 3.17Å; I1189-V1241 HydrophobicContact CD1-CG2 4.04Å; I1189-V1241 HydrophobicContact CG1-CB 4.37Å; L1197-V1241 HydrophobicContact CB-CG1 4.26Å; L1198-V1241 VanDerWaalsContact O-CA 3.24Å; L1198-V1241 WeakPolarHBondContact O-CA 3.37Å; F1199-V1241 HydrophobicContact CD1-CB 4.34Å; F1199-V1241 HydrophobicContact CD1-CG1 3.81Å; F1199-V1241 HydrophobicContact CD1-CG2 3.54Å; F1199-V1241 HydrophobicContact CE1-CG1 3.78Å; F1199-V1241 HydrophobicContact CE1-CG2 4Å; F1199-V1241 HydrophobicContact CG-CG1 4.27Å; F1199-V1241 HydrophobicContact CG-CG2 4.36Å; F1199-V1241 HydrophobicContact CZ-CG1 4.25Å; I1238-V1241 HydrophobicContact CG2-CG2 3.5Å
1242I86.4Confident77.7Confident26 Ų2664.3 Ų64.313%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-117.6125.5-176.7-56.6-63.7000108L1198 F1200 V1244 L1254 V1293L1198-I1242 HydrophobicContact CB-CB 4.43Å; L1198-I1242 PolarHBondContact N-O 3.43Å; L1198-I1242 PolarHBondContact O-N 2.57Å; F1200-I1242 HydrophobicContact CD2-CG1 4.22Å; F1200-I1242 HydrophobicContact CE2-CB 4.29Å; F1200-I1242 HydrophobicContact CE2-CG1 3.86Å; I1242-V1244 HydrophobicContact CG2-CG2 4.21Å; I1242-L1254 HydrophobicContact CG2-CD2 4.46Å; I1242-V1293 WeakPolarHBondContact CD1-O 3.39Å; I1242-V1293 HydrophobicContact CG1-CG1 4.46Å
1243S85Confident78Confident38 Ų3865.6 Ų65.627%0.26638%0.379SS..EExtended strand (participates in β ladder)trans-79.3131.5167.1-170.10000109.2D1195D1195-S1243 VanDerWaalsContact CB-OG 3.29Å; D1195-S1243 WeakPolarHBondContact CB-OG 3.21Å; D1195-S1243 VanDerWaalsContact CG-OG 3.29Å; D1195-S1243 PolarHBondContact OD2-OG 3.33Å
1244V78Confident78.6Confident29 Ų2961.8 Ų61.818%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-121.8118.9173-172.80000107.4T1196 L1198 I1242 V1268T1196-V1244 PolarHBondContact N-O 2.9Å; T1196-V1244 PolarHBondContact O-N 3.37Å; L1198-V1244 HydrophobicContact CD1-CG2 3.64Å; L1198-V1244 HydrophobicContact CG-CG2 4Å; I1242-V1244 HydrophobicContact CG2-CG2 4.21Å; V1244-V1268 HydrophobicContact CG1-CG1 4.39Å
1245N70.4Confident79.3Confident119 Ų11956.2 Ų56.264%0.63632%0.32SS*.  trans-90.2127.7-178.9-141.3-28.4000108.8D1195D1195-N1245 PolarHBondContact OD1-ND2 3.06Å; D1195-N1245 PolarHBondContact OD1-OD1 3.01Å
1246G63.3Low79.9Confident57 Ų5750.5 Ų50.559%0.58829%0.289SS*.SBendtrans68.9-157.2-179.500000116.7
1247Q57.5Low80.3Confident182 Ų18249.8 Ų49.885%0.8529%0.286SS*.SBendtrans-76144.2176-68.3-174.1-7.400110.3E1249Q1247-E1249 PolarHBondContact O-N 2.77Å
1248A60.3Low80.8Confident31 Ų3146.7 Ų46.726%0.25627%0.267SS..  trans-57.2105.8175.900000110.8V1268 T1269A1248-V1268 HydrophobicContact CB-CB 4.49Å; A1248-V1268 HydrophobicContact CB-CG1 3.81Å; A1248-T1269 HydrophobicContact CB-CG2 4.04Å; A1248-T1269 WeakPolarHBondContact O-CG2 3.24Å
1249E62.4Low81Confident137 Ų13750.1 Ų50.164%0.6428%0.282SS*.  trans-77.6139.9178.4-67.6-174175.100111.5Q1247 G1251Q1247-E1249 PolarHBondContact O-N 2.77Å; E1249-G1251 PolarHBondContact O-N 3.21Å
1250D67.7Low81.3Confident140 Ų14053 Ų5375%0.74929%0.293SS*.THydrogen-bonded Turntrans-65.5129.8172-88.7-24.3000110T1269D1250-T1269 WeakPolarHBondContact OD1-CG2 3.43Å
1251G74.8Confident81.7Confident42 Ų4252.7 Ų52.743%0.43329%0.291SS..THydrogen-bonded Turntrans119.1-21.5-179.400000114E1249 F1253E1249-G1251 PolarHBondContact O-N 3.21Å; G1251-F1253 WeakPolarHBondContact O-CD2 3.32Å; G1251-F1253 VanDerWaalsContact O-CE2 3.29Å; G1251-F1253 WeakPolarHBondContact O-CE2 3.37Å
1252H84.9Confident82Confident64 Ų6452.6 Ų52.630%0.29629%0.29SS..  trans-90.1142174.2-65.2-77.8000112.1V1268H1252-V1268 HydrophobicContact CB-CB 4.42Å; H1252-V1268 HydrophobicContact CB-CG2 3.76Å; H1252-V1268 WeakPolarHBondContact O-CG2 3.31Å; H1252-V1268 PolarHBondContact O-N 3.48Å
1253F90.2Very high82.5Confident35 Ų3551.3 Ų51.315%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-124.7152.6179.8-60-90.2000111.4G1251 R1265 T1266 S1295 T1296 D1321G1251-F1253 WeakPolarHBondContact O-CD2 3.32Å; G1251-F1253 VanDerWaalsContact O-CE2 3.29Å; G1251-F1253 WeakPolarHBondContact O-CE2 3.37Å; F1253-R1265 HydrophobicContact CB-CG 3.64Å; F1253-R1265 HydrophobicContact CD1-CG 3.84Å; F1253-R1265 HydrophobicContact CG-CG 3.89Å; F1253-T1266 CarbonylContact C-O 3.47Å; F1253-T1266 WeakPolarHBondContact CA-O 3.48Å; F1253-S1295 CarbonylContact O-C 3.48Å; F1253-S1295 WeakPolarHBondContact O-CA 3.31Å; F1253-T1296 PolarHBondContact N-O 3.39Å; F1253-T1296 PolarHBondContact O-N 3.26Å; F1253-D1321 HydrophobicContact CE1-CB 4.12Å
1254L91.8Very high82.9Confident0 Ų049.5 Ų49.50%027%0.271CS..EExtended strand (participates in β ladder)trans-100.9121.6164.5-62.3-175.8000109.5L1198 F1200 I1242 F1256 R1265 T1266 V1268 F1271 V1293 M1294L1198-L1254 HydrophobicContact CD1-CD1 4.38Å; F1200-L1254 HydrophobicContact CE1-CD1 4.22Å; F1200-L1254 HydrophobicContact CE2-CD1 4.22Å; F1200-L1254 HydrophobicContact CZ-CD1 3.45Å; F1200-L1254 VanDerWaalsContact CZ-CD1 3.45Å; I1242-L1254 HydrophobicContact CG2-CD2 4.46Å; L1254-F1256 HydrophobicContact CB-CD2 4.49Å; L1254-F1256 HydrophobicContact CB-CE2 3.66Å; L1254-F1256 HydrophobicContact CB-CZ 3.92Å; L1254-F1256 HydrophobicContact CD1-CZ 4.33Å; L1254-F1256 WeakPolarHBondContact O-CD2 3.29Å; L1254-F1256 WeakPolarHBondContact O-CE2 3.26Å; L1254-R1265 WeakPolarHBondContact O-CA 3.08Å; L1254-T1266 PolarHBondContact N-O 3.45Å; L1254-T1266 PolarHBondContact O-N 2.84Å; L1254-V1268 HydrophobicContact CD2-CG2 4.12Å; L1254-V1268 HydrophobicContact CG-CG2 4Å; L1254-F1271 HydrophobicContact CD1-CD2 3.66Å; L1254-F1271 HydrophobicContact CD1-CE2 3.68Å; L1254-F1271 HydrophobicContact CD1-CG 4.42Å; L1254-F1271 HydrophobicContact CD1-CZ 4.44Å; L1254-F1271 HydrophobicContact CG-CE2 4.43Å; L1254-V1293 HydrophobicContact CB-CG1 4.07Å; L1254-V1293 HydrophobicContact CD2-CG1 4.44Å; L1254-M1294 CarbonylContact C-O 3.58Å; L1254-M1294 WeakPolarHBondContact CA-O 3.48Å
1255F94Very high83.6Confident0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-101.3109.3178-160.2-84.1000110.6V1257 V1263 K1264 R1265 V1293 M1294 T1296 I1302 F1314 E1316 V1319F1255-V1257 HydrophobicContact CD1-CG2 3.88Å; F1255-V1257 HydrophobicContact CE1-CG2 3.92Å; F1255-V1263 HydrophobicContact CE1-CB 3.7Å; F1255-V1263 HydrophobicContact CE1-CG1 3.92Å; F1255-V1263 HydrophobicContact CE1-CG2 4.37Å; F1255-V1263 HydrophobicContact CZ-CB 3.75Å; F1255-V1263 HydrophobicContact CZ-CG1 4.31Å; F1255-V1263 HydrophobicContact CZ-CG2 3.94Å; F1255-K1264 CarbonylContact C-O 3.52Å; F1255-K1264 WeakPolarHBondContact CA-O 3.43Å; F1255-R1265 HydrophobicContact CD2-CB 4.09Å; F1255-R1265 HydrophobicContact CD2-CG 4.26Å; F1255-R1265 HydrophobicContact CE2-CB 4.44Å; F1255-V1293 WeakPolarHBondContact O-CA 3.23Å; F1255-M1294 HydrophobicContact CD1-CE 4.02Å; F1255-M1294 PolarHBondContact N-O 2.93Å; F1255-M1294 PolarHBondContact O-N 3.47Å; F1255-T1296 HydrophobicContact CB-CG2 3.81Å; F1255-I1302 HydrophobicContact CD1-CG1 4.36Å; F1255-I1302 HydrophobicContact CD1-CG2 4.39Å; F1255-I1302 HydrophobicContact CD2-CG1 4.45Å; F1255-I1302 HydrophobicContact CE1-CG1 4.17Å; F1255-I1302 HydrophobicContact CE1-CG2 4.02Å; F1255-I1302 HydrophobicContact CE2-CG1 4.27Å; F1255-I1302 HydrophobicContact CG-CG1 4.5Å; F1255-I1302 HydrophobicContact CZ-CG1 4.13Å; F1255-F1314 AromaticContact CZ-CE2 3.9Å; F1255-F1314 HydrophobicContact CZ-CE2 3.9Å; F1255-F1314 HydrophobicContact CZ-CZ 4.12Å; F1255-E1316 HydrophobicContact CD2-CB 4.06Å; F1255-E1316 HydrophobicContact CE2-CB 3.89Å; F1255-V1319 HydrophobicContact CE2-CB 4.12Å; F1255-V1319 HydrophobicContact CE2-CG1 4.39Å; F1255-V1319 HydrophobicContact CE2-CG2 4.1Å; F1255-V1319 HydrophobicContact CZ-CG2 4.12Å
1256F95Very high84.7Confident0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-91.5138.9-178.3-58.4-99.5000110.5F1200 L1254 V1263 K1264 F1271 A1281 I1282 L1290 V1293F1200-F1256 AromaticContact CD1-CE1 3.75Å; F1200-F1256 HydrophobicContact CD1-CE1 3.75Å; F1200-F1256 HydrophobicContact CD1-CZ 4.46Å; F1200-F1256 AromaticContact CE1-CE1 3.63Å; F1200-F1256 HydrophobicContact CE1-CE1 3.63Å; F1200-F1256 AromaticContact CE1-CZ 3.89Å; F1200-F1256 HydrophobicContact CE1-CZ 3.89Å; L1254-F1256 HydrophobicContact CB-CD2 4.49Å; L1254-F1256 HydrophobicContact CB-CE2 3.66Å; L1254-F1256 HydrophobicContact CB-CZ 3.92Å; L1254-F1256 HydrophobicContact CD1-CZ 4.33Å; L1254-F1256 WeakPolarHBondContact O-CD2 3.29Å; L1254-F1256 WeakPolarHBondContact O-CE2 3.26Å; F1256-V1263 CarbonylContact O-C 3.58Å; F1256-V1263 WeakPolarHBondContact O-CA 3.49Å; F1256-K1264 HydrophobicContact CB-CB 4.19Å; F1256-K1264 HydrophobicContact CD2-CB 4.42Å; F1256-K1264 PolarHBondContact N-O 3.47Å; F1256-K1264 PolarHBondContact O-N 3.48Å; F1256-F1271 HydrophobicContact CE2-CE2 4.5Å; F1256-F1271 HydrophobicContact CE2-CZ 4.32Å; F1256-F1271 HydrophobicContact CZ-CE2 4.15Å; F1256-F1271 AromaticContact CZ-CZ 3.72Å; F1256-F1271 HydrophobicContact CZ-CZ 3.72Å; F1256-A1281 HydrophobicContact CE1-CB 3.76Å; F1256-A1281 HydrophobicContact CZ-CB 4.07Å; F1256-I1282 HydrophobicContact CB-CD1 3.96Å; F1256-I1282 HydrophobicContact CD1-CB 4.4Å; F1256-I1282 HydrophobicContact CD1-CG2 4.34Å; F1256-L1290 HydrophobicContact CB-CD1 4Å; F1256-L1290 HydrophobicContact CD1-CD1 3.97Å; F1256-L1290 HydrophobicContact CD1-CD2 4.3Å; F1256-V1293 HydrophobicContact CD1-CG1 4.18Å; F1256-V1293 HydrophobicContact CD1-CG2 3.58Å; F1256-V1293 HydrophobicContact CE1-CG1 4Å; F1256-V1293 HydrophobicContact CE1-CG2 3.83Å; F1256-V1293 HydrophobicContact CG-CG2 4.41Å; F1256-V1293 HydrophobicContact CZ-CG1 4.25Å
1257V94.1Very high86Confident0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-131.1125.8175.2-174.40000110.1F1255 V1263 V1291 N1292 M1294 I1304 V1340 S1343F1255-V1257 HydrophobicContact CD1-CG2 3.88Å; F1255-V1257 HydrophobicContact CE1-CG2 3.92Å; V1257-V1263 HydrophobicContact CB-CG1 4.45Å; V1257-V1263 HydrophobicContact CG1-CG1 4.19Å; V1257-V1263 HydrophobicContact CG2-CG1 4.08Å; V1257-V1291 PolarHBondContact O-N 3Å; V1257-N1292 PolarHBondContact N-O 3.27Å; V1257-N1292 PolarHBondContact O-N 2.95Å; V1257-N1292 VanDerWaalsContact O-N 3.12Å; V1257-M1294 HydrophobicContact CG2-CE 4.01Å; V1257-I1304 HydrophobicContact CG1-CD1 4.07Å; V1257-I1304 HydrophobicContact CG1-CG2 4.23Å; V1257-I1304 HydrophobicContact CG2-CD1 4.44Å; V1257-V1340 HydrophobicContact CG1-CG1 3.94Å; V1257-S1343 WeakPolarHBondContact CG2-OG 3.39Å
1258T94.2Very high87.4Confident1 Ų134.1 Ų34.11%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-99.8161.4179.678.50000112.5K1260 G1261 T1262 I1282 L1284 D1288 E1289T1258-K1260 VanDerWaalsContact C-N 3.32Å; T1258-K1260 PolarHBondContact O-N 2.99Å; T1258-G1261 PolarHBondContact O-N 2.8Å; T1258-T1262 PolarHBondContact N-O 3.42Å; T1258-T1262 WeakPolarHBondContact OG1-CA 3.34Å; T1258-T1262 WeakPolarHBondContact OG1-CB 3.39Å; T1258-T1262 PolarHBondContact OG1-N 2.83Å; T1258-T1262 PolarHBondContact OG1-O 3.5Å; T1258-T1262 PolarHBondContact OG1-OG1 3.04Å; T1258-I1282 HydrophobicContact CG2-CD1 3.95Å; T1258-L1284 HydrophobicContact CG2-CD2 3.64Å; T1258-D1288 WeakPolarHBondContact CB-OD1 3.36Å; T1258-D1288 WeakPolarHBondContact CB-OD2 3.3Å; T1258-D1288 VanDerWaalsContact OG1-CG 3.27Å; T1258-D1288 PolarHBondContact OG1-OD1 3.15Å; T1258-D1288 PolarHBondContact OG1-OD2 2.98Å; T1258-E1289 CarbonylContact C-O 3.42Å; T1258-E1289 WeakPolarHBondContact CA-O 3.3Å; T1258-E1289 VanDerWaalsContact CB-O 3.29Å; T1258-E1289 WeakPolarHBondContact CB-O 3.39Å
1259K92.1Very high88.5Confident79 Ų7934.8 Ų34.834%0.34318%0.18SC..THydrogen-bonded Turntrans-58.1-39.6-179-166.9174-175.7174.60113.1G1261 D1288 E1289 V1291 L1334 V1340K1259-G1261 PolarHBondContact O-N 2.78Å; K1259-D1288 PolarHBondContact N-OD1 3.02Å; K1259-E1289 HydrophobicContact CB-CB 4.47Å; K1259-E1289 PolarHBondContact N-O 2.76Å; K1259-E1289 IonicContact NZ-OE2 2.79Å; K1259-E1289 PolarHBondContact NZ-OE2 2.99Å; K1259-V1291 VanDerWaalsContact CA-CG2 3.46Å; K1259-V1291 HydrophobicContact CB-CG2 3.6Å; K1259-V1291 HydrophobicContact CG-CG2 4.17Å; K1259-L1334 WeakPolarHBondContact O-CD1 3.31Å; K1259-V1340 PolarHBondContact O-N 2.66Å
1260K93.3Very high89.7Confident110 Ų11029.8 Ų29.848%0.47816%0.163SC..THydrogen-bonded Turntrans-82.69.2176.5-64.9-176.9175.1166.90113.8T1258 E1286 G1287 D1288 L1334T1258-K1260 VanDerWaalsContact C-N 3.32Å; T1258-K1260 PolarHBondContact O-N 2.99Å; K1260-E1286 PolarHBondContact NZ-O 2.92Å; K1260-G1287 WeakPolarHBondContact CE-O 3.14Å; K1260-G1287 VanDerWaalsContact NZ-C 3.31Å; K1260-G1287 PolarHBondContact NZ-O 3.06Å; K1260-G1287 VanDerWaalsContact NZ-O 3.09Å; K1260-D1288 WeakPolarHBondContact CB-OD1 3.44Å; K1260-D1288 HydrophobicContact CD-CB 4Å; K1260-D1288 HydrophobicContact CG-CB 4.28Å; K1260-D1288 WeakPolarHBondContact CG-OD1 3.4Å; K1260-D1288 PolarHBondContact N-OD1 2.9Å; K1260-L1334 WeakPolarHBondContact O-CD1 3.37Å
1261G92.4Very high90.6Very high0 Ų023.5 Ų23.50%013%0.129CC..SBendtrans82.720.2174.200000114.9T1258 K1259 G1331 I1332T1258-G1261 PolarHBondContact O-N 2.8Å; K1259-G1261 PolarHBondContact O-N 2.78Å; G1261-G1331 WeakPolarHBondContact O-CA 3.48Å; G1261-G1331 PolarHBondContact O-N 2.81Å; G1261-I1332 PolarHBondContact O-N 3.47Å
1262T94.7Very high90.8Very high14 Ų1424.9 Ų24.99%0.08613%0.131CC..EExtended strand (participates in β ladder)trans-80.8140.7168.8-48.10000109T1258 D1288 S1327 V1329T1258-T1262 PolarHBondContact N-O 3.42Å; T1258-T1262 WeakPolarHBondContact OG1-CA 3.34Å; T1258-T1262 WeakPolarHBondContact OG1-CB 3.39Å; T1258-T1262 PolarHBondContact OG1-N 2.83Å; T1258-T1262 PolarHBondContact OG1-O 3.5Å; T1258-T1262 PolarHBondContact OG1-OG1 3.04Å; T1262-D1288 PolarHBondContact OG1-OD2 3.21Å; T1262-S1327 WeakPolarHBondContact CG2-O 3.41Å; T1262-V1329 CarbonylContact C-O 3.57Å; T1262-V1329 WeakPolarHBondContact CA-O 3.2Å; T1262-V1329 WeakPolarHBondContact CG2-O 3.43Å
1263V95.3Very high90.5Very high0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans-130.8149.3179-59.20000110.9F1255 F1256 V1257 I1304 F1314 V1319 G1328 V1329F1255-V1263 HydrophobicContact CE1-CB 3.7Å; F1255-V1263 HydrophobicContact CE1-CG1 3.92Å; F1255-V1263 HydrophobicContact CE1-CG2 4.37Å; F1255-V1263 HydrophobicContact CZ-CB 3.75Å; F1255-V1263 HydrophobicContact CZ-CG1 4.31Å; F1255-V1263 HydrophobicContact CZ-CG2 3.94Å; F1256-V1263 CarbonylContact O-C 3.58Å; F1256-V1263 WeakPolarHBondContact O-CA 3.49Å; V1257-V1263 HydrophobicContact CB-CG1 4.45Å; V1257-V1263 HydrophobicContact CG1-CG1 4.19Å; V1257-V1263 HydrophobicContact CG2-CG1 4.08Å; V1263-I1304 HydrophobicContact CG1-CD1 3.55Å; V1263-F1314 HydrophobicContact CG1-CZ 4.44Å; V1263-F1314 HydrophobicContact CG2-CZ 4.23Å; V1263-V1319 HydrophobicContact CG2-CG2 3.84Å; V1263-G1328 CarbonylContact O-C 3.53Å; V1263-G1328 VanDerWaalsContact O-CA 3.25Å; V1263-G1328 WeakPolarHBondContact O-CA 3.45Å; V1263-V1329 HydrophobicContact CG2-CG2 3.94Å; V1263-V1329 PolarHBondContact N-O 2.8Å; V1263-V1329 PolarHBondContact O-N 2.87Å
1264K94.5Very high90Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-146.7146.3-179.5-177.4-171.4172.5-160.70109.8F1255 F1256 T1266 A1281 I1282 M1322 G1323 R1324 A1326F1255-K1264 CarbonylContact C-O 3.52Å; F1255-K1264 WeakPolarHBondContact CA-O 3.43Å; F1256-K1264 HydrophobicContact CB-CB 4.19Å; F1256-K1264 HydrophobicContact CD2-CB 4.42Å; F1256-K1264 PolarHBondContact N-O 3.47Å; F1256-K1264 PolarHBondContact O-N 3.48Å; K1264-T1266 WeakPolarHBondContact CE-OG1 3.21Å; K1264-T1266 PolarHBondContact NZ-OG1 3.27Å; K1264-A1281 PolarHBondContact NZ-O 3.03Å; K1264-I1282 HydrophobicContact CB-CD1 3.89Å; K1264-I1282 HydrophobicContact CD-CB 4.2Å; K1264-I1282 HydrophobicContact CD-CD1 4.02Å; K1264-I1282 HydrophobicContact CD-CG1 3.82Å; K1264-M1322 HydrophobicContact CG-CB 4.33Å; K1264-G1323 WeakPolarHBondContact CE-O 3.45Å; K1264-G1323 PolarHBondContact NZ-O 3.32Å; K1264-R1324 PolarHBondContact NZ-O 3.23Å; K1264-A1326 WeakPolarHBondContact CD-O 3.46Å; K1264-A1326 PolarHBondContact NZ-O 3.47Å
1265R93.6Very high89.4Confident27 Ų2734.9 Ų34.910%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-117.5134.9171.6-167.617669.6170.88.6109.2F1253 L1254 F1255 G1298 E1316 V1319 M1322F1253-R1265 HydrophobicContact CB-CG 3.64Å; F1253-R1265 HydrophobicContact CD1-CG 3.84Å; F1253-R1265 HydrophobicContact CG-CG 3.89Å; L1254-R1265 WeakPolarHBondContact O-CA 3.08Å; F1255-R1265 HydrophobicContact CD2-CB 4.09Å; F1255-R1265 HydrophobicContact CD2-CG 4.26Å; F1255-R1265 HydrophobicContact CE2-CB 4.44Å; R1265-G1298 PolarHBondContact NH1-O 3.44Å; R1265-E1316 VanDerWaalsContact CD-OE2 3.22Å; R1265-E1316 WeakPolarHBondContact CD-OE2 3.33Å; R1265-E1316 IonicContact NH1-OE2 3.72Å; R1265-V1319 HydrophobicContact CB-CG1 4.19Å; R1265-V1319 PolarHBondContact NE-O 3.04Å; R1265-M1322 PolarHBondContact O-N 3.01Å
1266T92.4Very high88.5Confident2 Ų239.5 Ų39.51%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-140.3134.8176.5-62.60000109.8F1253 L1254 K1264 A1270 F1271 D1321 M1322 R1324F1253-T1266 CarbonylContact C-O 3.47Å; F1253-T1266 WeakPolarHBondContact CA-O 3.48Å; L1254-T1266 PolarHBondContact N-O 3.45Å; L1254-T1266 PolarHBondContact O-N 2.84Å; K1264-T1266 WeakPolarHBondContact CE-OG1 3.21Å; K1264-T1266 PolarHBondContact NZ-OG1 3.27Å; T1266-A1270 HydrophobicContact CG2-CB 3.76Å; T1266-F1271 HydrophobicContact CG2-CE2 3.71Å; T1266-F1271 HydrophobicContact CG2-CZ 4.09Å; T1266-D1321 WeakPolarHBondContact CA-OD1 3.47Å; T1266-M1322 PolarHBondContact OG1-O 3.4Å; T1266-R1324 HydrophobicContact CG2-CG 4.06Å
1267T90.2Very high87.8Confident27 Ų2743.9 Ų43.917%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-55.5142.5173.5-1790000113.1T1269 A1270 D1321T1267-T1269 WeakPolarHBondContact CG2-OG1 3.43Å; T1267-T1269 PolarHBondContact O-N 2.91Å; T1267-T1269 PolarHBondContact OG1-N 2.87Å; T1267-T1269 PolarHBondContact OG1-OG1 3.26Å; T1267-A1270 HydrophobicContact CG2-CB 4.07Å; T1267-A1270 WeakPolarHBondContact O-CB 3.43Å; T1267-A1270 PolarHBondContact O-N 2.8Å; T1267-D1321 PolarHBondContact N-OD1 2.97Å
1268V87Confident87.3Confident8 Ų844.1 Ų44.15%0.04824%0.24CC..G310 helixtrans-62.1-32.41781790000111.2V1244 A1248 H1252 L1254 A1270 F1271V1244-V1268 HydrophobicContact CG1-CG1 4.39Å; A1248-V1268 HydrophobicContact CB-CB 4.49Å; A1248-V1268 HydrophobicContact CB-CG1 3.81Å; H1252-V1268 HydrophobicContact CB-CB 4.42Å; H1252-V1268 HydrophobicContact CB-CG2 3.76Å; H1252-V1268 WeakPolarHBondContact O-CG2 3.31Å; H1252-V1268 PolarHBondContact O-N 3.48Å; L1254-V1268 HydrophobicContact CD2-CG2 4.12Å; L1254-V1268 HydrophobicContact CG-CG2 4Å; V1268-A1270 PolarHBondContact O-N 2.94Å; V1268-A1270 VanDerWaalsContact O-N 3.07Å; V1268-F1271 WeakPolarHBondContact O-CB 3.28Å; V1268-F1271 PolarHBondContact O-N 3.42Å
1269T84.8Confident87.1Confident44 Ų4445.2 Ų45.227%0.2725%0.245SC..G310 helixtrans-60.5-22178.552.40000113.7A1248 D1250 T1267 F1271 S1272A1248-T1269 HydrophobicContact CB-CG2 4.04Å; A1248-T1269 WeakPolarHBondContact O-CG2 3.24Å; D1250-T1269 WeakPolarHBondContact OD1-CG2 3.43Å; T1267-T1269 WeakPolarHBondContact CG2-OG1 3.43Å; T1267-T1269 PolarHBondContact O-N 2.91Å; T1267-T1269 PolarHBondContact OG1-N 2.87Å; T1267-T1269 PolarHBondContact OG1-OG1 3.26Å; T1269-F1271 PolarHBondContact O-N 2.79Å; T1269-F1271 VanDerWaalsContact O-N 3.14Å; T1269-S1272 PolarHBondContact O-N 3.04Å; T1269-S1272 PolarHBondContact O-OG 2.72Å; T1269-S1272 VanDerWaalsContact O-OG 3.06Å
1270A86.7Confident87Confident33 Ų3345.6 Ų45.627%0.27325%0.25SC..G310 helixtrans-66.3-12.2173.700000113.7T1266 T1267 V1268 R1324T1266-A1270 HydrophobicContact CG2-CB 3.76Å; T1267-A1270 HydrophobicContact CG2-CB 4.07Å; T1267-A1270 WeakPolarHBondContact O-CB 3.43Å; T1267-A1270 PolarHBondContact O-N 2.8Å; V1268-A1270 PolarHBondContact O-N 2.94Å; V1268-A1270 VanDerWaalsContact O-N 3.07Å; A1270-R1324 HydrophobicContact CB-CG 3.97Å; A1270-R1324 WeakPolarHBondContact O-CD 3.3Å; A1270-R1324 PolarHBondContact O-NH1 3.39Å
1271F86.5Confident86.9Confident8 Ų840.3 Ų40.34%0.03523%0.227CC..G310 helixtrans-114.713.2-176.9-57.7-74.7000113.8V1206 L1254 F1256 T1266 V1268 T1269 N1273 I1274 A1281 R1324V1206-F1271 HydrophobicContact CG1-CD1 3.67Å; V1206-F1271 HydrophobicContact CG1-CE1 3.82Å; L1254-F1271 HydrophobicContact CD1-CD2 3.66Å; L1254-F1271 HydrophobicContact CD1-CE2 3.68Å; L1254-F1271 HydrophobicContact CD1-CG 4.42Å; L1254-F1271 HydrophobicContact CD1-CZ 4.44Å; L1254-F1271 HydrophobicContact CG-CE2 4.43Å; F1256-F1271 HydrophobicContact CE2-CE2 4.5Å; F1256-F1271 HydrophobicContact CE2-CZ 4.32Å; F1256-F1271 HydrophobicContact CZ-CE2 4.15Å; F1256-F1271 AromaticContact CZ-CZ 3.72Å; F1256-F1271 HydrophobicContact CZ-CZ 3.72Å; T1266-F1271 HydrophobicContact CG2-CE2 3.71Å; T1266-F1271 HydrophobicContact CG2-CZ 4.09Å; V1268-F1271 WeakPolarHBondContact O-CB 3.28Å; V1268-F1271 PolarHBondContact O-N 3.42Å; T1269-F1271 PolarHBondContact O-N 2.79Å; T1269-F1271 VanDerWaalsContact O-N 3.14Å; F1271-N1273 PolarHBondContact O-N 3.34Å; F1271-I1274 HydrophobicContact CB-CD1 4.34Å; F1271-I1274 WeakPolarHBondContact O-CD1 3.3Å; F1271-I1274 WeakPolarHBondContact O-CG1 3.22Å; F1271-A1281 HydrophobicContact CE1-CB 3.71Å; F1271-A1281 HydrophobicContact CZ-CB 4.03Å; F1271-R1324 HydrophobicContact CE1-CG 3.81Å; F1271-R1324 HydrophobicContact CE2-CG 4.46Å; F1271-R1324 HydrophobicContact CZ-CG 3.77Å
1272S78.8Confident86.9Confident70 Ų7040.4 Ų40.449%0.4923%0.228SC..SBendtrans-60.5-41.917852.10000113.6R1208 T1269R1208-S1272 PolarHBondContact NH1-O 2.98Å; R1208-S1272 VanDerWaalsContact NH1-O 3.14Å; T1269-S1272 PolarHBondContact O-N 3.04Å; T1269-S1272 PolarHBondContact O-OG 2.72Å; T1269-S1272 VanDerWaalsContact O-OG 3.06Å
1273N77.9Confident86.8Confident128 Ų12840.6 Ų40.668%0.68423%0.232SC*.SBendtrans-113.983.1-176.8-78.6-37.3000112.2F1271 L1279F1271-N1273 PolarHBondContact O-N 3.34Å; N1273-L1279 VanDerWaalsContact O-CD1 3.3Å; N1273-L1279 WeakPolarHBondContact O-CD1 3.46Å
1274I81.4Confident86.5Confident4 Ų442.9 Ų42.92%0.02124%0.244CC..  trans-92.1124.4174-55.1163.3000109.7L1198 V1206 R1208 F1271 L1279L1198-I1274 HydrophobicContact CD2-CD1 3.42Å; L1198-I1274 VanDerWaalsContact CD2-CD1 3.42Å; V1206-I1274 HydrophobicContact CG1-CD1 4.14Å; V1206-I1274 HydrophobicContact CG1-CG1 4.44Å; V1206-I1274 HydrophobicContact CG2-CD1 4.02Å; R1208-I1274 HydrophobicContact CB-CB 4.25Å; R1208-I1274 HydrophobicContact CB-CD1 3.96Å; R1208-I1274 HydrophobicContact CG-CB 4.01Å; R1208-I1274 HydrophobicContact CG-CG2 4.41Å; R1208-I1274 VanDerWaalsContact CZ-O 3.23Å; R1208-I1274 PolarHBondContact NE-O 3.48Å; R1208-I1274 VanDerWaalsContact NE-O 3.15Å; R1208-I1274 PolarHBondContact NH2-O 3.31Å; F1271-I1274 HydrophobicContact CB-CD1 4.34Å; F1271-I1274 WeakPolarHBondContact O-CD1 3.3Å; F1271-I1274 WeakPolarHBondContact O-CG1 3.22Å; I1274-L1279 HydrophobicContact CB-CD1 4.16Å; I1274-L1279 HydrophobicContact CG1-CD1 3.93Å; I1274-L1279 HydrophobicContact CG2-CD1 4.3Å; I1274-L1279 HydrophobicContact CG2-CG 4.23Å
1275R79.3Confident86.3Confident177 Ų17750.3 Ų50.367%0.66827%0.272SS*.  trans-76.4161176.5-59-179.3-154.81805.5110.1N1277 G1278R1275-N1277 WeakPolarHBondContact CB-OD1 3.47Å; R1275-N1277 PolarHBondContact O-N 2.92Å; R1275-N1277 VanDerWaalsContact O-N 3.11Å; R1275-G1278 WeakPolarHBondContact O-CA 3.09Å; R1275-G1278 PolarHBondContact O-N 3.14Å
1276A74.4Confident85.9Confident97 Ų9758.2 Ų58.280%0.80231%0.31SS*.THydrogen-bonded Turntrans-55-31.1176.600000113.6G1278A1276-G1278 PolarHBondContact O-N 3.32Å
1277N80.2Confident85.6Confident93 Ų9361 Ų6150%0.49734%0.34SS..THydrogen-bonded Turntrans-82.810.1176.268.4-24.8000114.3R1205 R1275R1205-N1277 PolarHBondContact NH2-O 3.29Å; R1275-N1277 WeakPolarHBondContact CB-OD1 3.47Å; R1275-N1277 PolarHBondContact O-N 2.92Å; R1275-N1277 VanDerWaalsContact O-N 3.11Å
1278G83.3Confident85.7Confident5 Ų560.3 Ų60.35%0.05234%0.335CS..  trans68.9-178.4-178.200000114V1206 R1275 A1276V1206-G1278 CarbonylContact O-C 3.58Å; V1206-G1278 WeakPolarHBondContact O-CA 3.15Å; R1275-G1278 WeakPolarHBondContact O-CA 3.09Å; R1275-G1278 PolarHBondContact O-N 3.14Å; A1276-G1278 PolarHBondContact O-N 3.32Å
1279L89.9Confident85.9Confident23 Ų2363.4 Ų63.412%0.1235%0.349CS..EExtended strand (participates in β ladder)trans-140.6145.8-175.5-78.3-179.6000110.9R1205 V1206 N1273 I1274 A1281 R1324R1205-L1279 CarbonylContact C-O 3.58Å; R1205-L1279 WeakPolarHBondContact CA-O 3.21Å; V1206-L1279 HydrophobicContact CG1-CB 4Å; V1206-L1279 PolarHBondContact N-O 3.44Å; V1206-L1279 PolarHBondContact O-N 2.96Å; N1273-L1279 VanDerWaalsContact O-CD1 3.3Å; N1273-L1279 WeakPolarHBondContact O-CD1 3.46Å; I1274-L1279 HydrophobicContact CB-CD1 4.16Å; I1274-L1279 HydrophobicContact CG1-CD1 3.93Å; I1274-L1279 HydrophobicContact CG2-CD1 4.3Å; I1274-L1279 HydrophobicContact CG2-CG 4.23Å; L1279-A1281 PolarHBondContact O-N 3.44Å; L1279-R1324 VanDerWaalsContact CB-NH2 3.33Å
1280I91.1Very high86.2Confident87 Ų8761.4 Ų61.445%0.44634%0.336SS..EExtended strand (participates in β ladder)trans-66.9126169.9-56.4174.8000108.3R1324I1280-R1324 WeakPolarHBondContact O-CB 3.1Å; I1280-R1324 PolarHBondContact O-NE 2.84Å; I1280-R1324 PolarHBondContact O-NH2 2.96Å
1281A91Very high86.3Confident0 Ų061.5 Ų61.50%033%0.334CS..  trans-105.4-30.2178.800000112.9F1200 G1204 V1206 F1256 K1264 F1271 L1279 R1324F1200-A1281 HydrophobicContact CD1-CB 4.02Å; F1200-A1281 HydrophobicContact CE1-CB 3.93Å; G1204-A1281 WeakPolarHBondContact O-CA 3.38Å; G1204-A1281 WeakPolarHBondContact O-CB 3.33Å; G1204-A1281 PolarHBondContact O-N 3.49Å; V1206-A1281 HydrophobicContact CB-CB 4.16Å; V1206-A1281 HydrophobicContact CG1-CB 4.11Å; F1256-A1281 HydrophobicContact CE1-CB 3.76Å; F1256-A1281 HydrophobicContact CZ-CB 4.07Å; K1264-A1281 PolarHBondContact NZ-O 3.03Å; F1271-A1281 HydrophobicContact CE1-CB 3.71Å; F1271-A1281 HydrophobicContact CZ-CB 4.03Å; L1279-A1281 PolarHBondContact O-N 3.44Å; A1281-R1324 CarbonylContact C-O 3.51Å
1282I92.7Very high86.4Confident2 Ų263.1 Ų63.11%0.0134%0.343CS..SBendtrans-147.6139.3173.3-176166.7000110.8G1204 F1256 T1258 K1264 L1284 L1290 R1324G1204-I1282 PolarHBondContact O-N 2.91Å; G1204-I1282 VanDerWaalsContact O-N 3.11Å; F1256-I1282 HydrophobicContact CB-CD1 3.96Å; F1256-I1282 HydrophobicContact CD1-CB 4.4Å; F1256-I1282 HydrophobicContact CD1-CG2 4.34Å; T1258-I1282 HydrophobicContact CG2-CD1 3.95Å; K1264-I1282 HydrophobicContact CB-CD1 3.89Å; K1264-I1282 HydrophobicContact CD-CB 4.2Å; K1264-I1282 HydrophobicContact CD-CD1 4.02Å; K1264-I1282 HydrophobicContact CD-CG1 3.82Å; I1282-L1284 HydrophobicContact CG1-CD2 4.47Å; I1282-L1284 HydrophobicContact CG2-CD2 3.98Å; I1282-L1284 HydrophobicContact CG2-CG 4.23Å; I1282-L1284 PolarHBondContact O-N 3.35Å; I1282-L1290 HydrophobicContact CG2-CD1 4.34Å; I1282-R1324 WeakPolarHBondContact CA-O 3.31Å; I1282-R1324 PolarHBondContact N-O 3.09Å
1283G91Very high87Confident18 Ų1859.9 Ų59.919%0.18632%0.32CS..  trans-83.298.4174.200000111.8A1326 S1327G1283-A1326 PolarHBondContact N-O 2.79Å; G1283-S1327 WeakPolarHBondContact O-CA 3.21Å; G1283-S1327 WeakPolarHBondContact O-CB 3.44Å; G1283-S1327 PolarHBondContact O-OG 2.88Å
1284L90Very high87.5Confident48 Ų4854.6 Ų54.625%0.25129%0.291SS..PPolyproline II helixtrans-75.9145.6-178.5-63.1175.5000112.8N1202 S1203 T1258 I1282N1202-L1284 WeakPolarHBondContact O-CD1 3.04Å; S1203-L1284 WeakPolarHBondContact O-CD1 3.44Å; T1258-L1284 HydrophobicContact CG2-CD2 3.64Å; I1282-L1284 HydrophobicContact CG1-CD2 4.47Å; I1282-L1284 HydrophobicContact CG2-CD2 3.98Å; I1282-L1284 HydrophobicContact CG2-CG 4.23Å; I1282-L1284 PolarHBondContact O-N 3.35Å
1285R89Confident87.9Confident155 Ų15557.2 Ų57.259%0.58531%0.31SS*.PPolyproline II helixtrans-83.9160.3171.8-66.4-180180174.40.2110.1G1287 D1288R1285-G1287 PolarHBondContact O-N 3.44Å; R1285-D1288 HydrophobicContact CB-CB 4.48Å; R1285-D1288 WeakPolarHBondContact O-CB 3.48Å; R1285-D1288 PolarHBondContact O-N 3.35Å
1286E86.5Confident88.4Confident193 Ų19348.9 Ų48.990%0.90228%0.279SS*.THydrogen-bonded Turntrans-54.7125.9-179.5-163.3175.4178.700112.5K1260 D1288K1260-E1286 PolarHBondContact NZ-O 2.92Å; E1286-D1288 PolarHBondContact O-N 3.45Å
1287G85.9Confident88.9Confident61 Ų6150 Ų5063%0.62927%0.268SS*.THydrogen-bonded Turntrans66.514.1-176.200000115.6K1260 R1285K1260-G1287 WeakPolarHBondContact CE-O 3.14Å; K1260-G1287 VanDerWaalsContact NZ-C 3.31Å; K1260-G1287 PolarHBondContact NZ-O 3.06Å; K1260-G1287 VanDerWaalsContact NZ-O 3.09Å; R1285-G1287 PolarHBondContact O-N 3.44Å
1288D91.4Very high89.1Confident12 Ų1246.3 Ų46.36%0.06425%0.251CS..  trans-96.6152.7166.6-156.76000109.8T1258 K1259 K1260 T1262 R1285 E1286T1258-D1288 WeakPolarHBondContact CB-OD1 3.36Å; T1258-D1288 WeakPolarHBondContact CB-OD2 3.3Å; T1258-D1288 VanDerWaalsContact OG1-CG 3.27Å; T1258-D1288 PolarHBondContact OG1-OD1 3.15Å; T1258-D1288 PolarHBondContact OG1-OD2 2.98Å; K1259-D1288 PolarHBondContact N-OD1 3.02Å; K1260-D1288 WeakPolarHBondContact CB-OD1 3.44Å; K1260-D1288 HydrophobicContact CD-CB 4Å; K1260-D1288 HydrophobicContact CG-CB 4.28Å; K1260-D1288 WeakPolarHBondContact CG-OD1 3.4Å; K1260-D1288 PolarHBondContact N-OD1 2.9Å; T1262-D1288 PolarHBondContact OG1-OD2 3.21Å; R1285-D1288 HydrophobicContact CB-CB 4.48Å; R1285-D1288 WeakPolarHBondContact O-CB 3.48Å; R1285-D1288 PolarHBondContact O-N 3.35Å; E1286-D1288 PolarHBondContact O-N 3.45Å
1289E91.4Very high89.3Confident74 Ų7451.3 Ų51.335%0.34628%0.277SS..  trans-138.5146.3-177.6-65.3179.313800109.2T1258 K1259T1258-E1289 CarbonylContact C-O 3.42Å; T1258-E1289 WeakPolarHBondContact CA-O 3.3Å; T1258-E1289 VanDerWaalsContact CB-O 3.29Å; T1258-E1289 WeakPolarHBondContact CB-O 3.39Å; K1259-E1289 HydrophobicContact CB-CB 4.47Å; K1259-E1289 PolarHBondContact N-O 2.76Å; K1259-E1289 IonicContact NZ-OE2 2.79Å; K1259-E1289 PolarHBondContact NZ-OE2 2.99Å
1290L92.5Very high89.4Confident1 Ų151.2 Ų51.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-67.6133170.8-174.264000109.5F1200 T1201 N1202 Q1239 F1256 I1282 V1293F1200-L1290 HydrophobicContact CB-CD2 3.93Å; T1201-L1290 WeakPolarHBondContact O-CD2 3.47Å; N1202-L1290 PolarHBondContact O-N 2.78Å; N1202-L1290 VanDerWaalsContact O-N 3.09Å; Q1239-L1290 WeakPolarHBondContact CG-O 3.2Å; F1256-L1290 HydrophobicContact CB-CD1 4Å; F1256-L1290 HydrophobicContact CD1-CD1 3.97Å; F1256-L1290 HydrophobicContact CD1-CD2 4.3Å; I1282-L1290 HydrophobicContact CG2-CD1 4.34Å; L1290-V1293 HydrophobicContact CD1-CG2 4.11Å; L1290-V1293 HydrophobicContact CD2-CG2 3.68Å; L1290-V1293 HydrophobicContact CG-CG2 4.2Å
1291V87.7Confident89.5Confident35 Ų3548.4 Ų48.421%0.21226%0.263CS..EExtended strand (participates in β ladder)trans-110.8-40.8179.8168.40000111.8V1257 K1259 V1340V1257-V1291 PolarHBondContact O-N 3Å; K1259-V1291 VanDerWaalsContact CA-CG2 3.46Å; K1259-V1291 HydrophobicContact CB-CG2 3.6Å; K1259-V1291 HydrophobicContact CG-CG2 4.17Å; V1291-V1340 HydrophobicContact CG1-CG1 4.4Å
1292N88.9Confident89.6Confident42 Ų4248.4 Ų48.423%0.22526%0.263CS..EExtended strand (participates in β ladder)trans-148.2153.9178.5-158.714.2000111.4V1257 S1343V1257-N1292 PolarHBondContact N-O 3.27Å; V1257-N1292 PolarHBondContact O-N 2.95Å; V1257-N1292 VanDerWaalsContact O-N 3.12Å; N1292-S1343 PolarHBondContact ND2-O 3.13Å; N1292-S1343 VanDerWaalsContact ND2-O 3.07Å; N1292-S1343 PolarHBondContact ND2-OG 3.07Å
1293V91.1Very high89.7Confident2 Ų248.3 Ų48.31%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-130.8134.6167.3-173.90000106.5F1200 A1240 I1242 L1254 F1255 F1256 L1290F1200-V1293 HydrophobicContact CB-CG2 3.94Å; F1200-V1293 HydrophobicContact CD1-CG2 4.07Å; F1200-V1293 HydrophobicContact CD2-CB 4.17Å; F1200-V1293 HydrophobicContact CD2-CG1 4.26Å; F1200-V1293 HydrophobicContact CD2-CG2 4.08Å; F1200-V1293 HydrophobicContact CE2-CG1 4.12Å; F1200-V1293 HydrophobicContact CG-CB 4.35Å; F1200-V1293 HydrophobicContact CG-CG2 3.75Å; F1200-V1293 HydrophobicContact CZ-CG1 4.3Å; A1240-V1293 HydrophobicContact CB-CB 3.94Å; A1240-V1293 HydrophobicContact CB-CG2 4.12Å; I1242-V1293 WeakPolarHBondContact CD1-O 3.39Å; I1242-V1293 HydrophobicContact CG1-CG1 4.46Å; L1254-V1293 HydrophobicContact CB-CG1 4.07Å; L1254-V1293 HydrophobicContact CD2-CG1 4.44Å; F1255-V1293 WeakPolarHBondContact O-CA 3.23Å; F1256-V1293 HydrophobicContact CD1-CG1 4.18Å; F1256-V1293 HydrophobicContact CD1-CG2 3.58Å; F1256-V1293 HydrophobicContact CE1-CG1 4Å; F1256-V1293 HydrophobicContact CE1-CG2 3.83Å; F1256-V1293 HydrophobicContact CG-CG2 4.41Å; F1256-V1293 HydrophobicContact CZ-CG1 4.25Å; L1290-V1293 HydrophobicContact CD1-CG2 4.11Å; L1290-V1293 HydrophobicContact CD2-CG2 3.68Å; L1290-V1293 HydrophobicContact CG-CG2 4.2Å
1294M89.1Confident89.9Confident17 Ų1747.5 Ų47.58%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-128.4144178.4-60.4169.2-70.500108.9L1254 F1255 V1257 I1302 S1343 A1344L1254-M1294 CarbonylContact C-O 3.58Å; L1254-M1294 WeakPolarHBondContact CA-O 3.48Å; F1255-M1294 HydrophobicContact CD1-CE 4.02Å; F1255-M1294 PolarHBondContact N-O 2.93Å; F1255-M1294 PolarHBondContact O-N 3.47Å; V1257-M1294 HydrophobicContact CG2-CE 4.01Å; M1294-I1302 HydrophobicContact CE-CG2 4.08Å; M1294-S1343 WeakPolarHBondContact CE-OG 3.48Å; M1294-S1343 VanDerWaalsContact SD-C 3.54Å; M1294-S1343 VanDerWaalsContact SD-O 3.4Å; M1294-A1344 WeakPolarHBondContact SD-CA 3.32Å
1295S89.1Confident90Very high60 Ų6045.2 Ų45.242%0.4224%0.241SC..EExtended strand (participates in β ladder)trans-78.9137.2167.5-162.30000109.4F1253F1253-S1295 CarbonylContact O-C 3.48Å; F1253-S1295 WeakPolarHBondContact O-CA 3.31Å
1296T89.7Confident90.3Very high2 Ų237.8 Ų37.81%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-139.8156.6-178.564.30000112.1F1253 F1255 E1300 I1302 E1316 V1345F1253-T1296 PolarHBondContact N-O 3.39Å; F1253-T1296 PolarHBondContact O-N 3.26Å; F1255-T1296 HydrophobicContact CB-CG2 3.81Å; T1296-E1300 VanDerWaalsContact CA-OE2 3.26Å; T1296-E1300 WeakPolarHBondContact CA-OE2 3.43Å; T1296-E1300 WeakPolarHBondContact CB-OE2 3.4Å; T1296-I1302 HydrophobicContact CG2-CD1 4.05Å; T1296-E1316 WeakPolarHBondContact CB-OE1 3.49Å; T1296-E1316 WeakPolarHBondContact CB-OE2 3.44Å; T1296-E1316 PolarHBondContact OG1-OE1 2.81Å; T1296-E1316 PolarHBondContact OG1-OE2 2.86Å; T1296-V1345 HydrophobicContact CG2-CG2 3.98Å
1297E85.2Confident90.5Very high121 Ų12130.1 Ų30.157%0.56518%0.178SC*.  trans-97.92.5-176.2-67.8174.4-16600114.2E1300E1297-E1300 HydrophobicContact CB-CG 4.47Å
1298G84.5Confident90.8Very high14 Ų1430.1 Ų30.114%0.14416%0.163CC..SBendtrans104.9-18.817100000115.9R1265 E1316R1265-G1298 PolarHBondContact NH1-O 3.44Å; G1298-E1316 VanDerWaalsContact C-CD 3.45Å; G1298-E1316 WeakPolarHBondContact CA-OE1 3.29Å; G1298-E1316 PolarHBondContact N-OE1 3.31Å; G1298-E1316 WeakPolarHBondContact O-CG 3.43Å
1299D87.5Confident90.8Very high110 Ų11029.6 Ų29.659%0.58816%0.16SC*.SBendtrans-124.37.3179.278.6-19.3000115E1316D1299-E1316 PolarHBondContact N-OE1 2.94Å
1300E91.4Very high90.9Very high21 Ų2128.9 Ų28.910%0.09816%0.155CC..PPolyproline II helixtrans-71.7160.2-172.5-64.8-166.9119.200113.2T1296 E1297 K1315 E1316 V1345 K1347T1296-E1300 VanDerWaalsContact CA-OE2 3.26Å; T1296-E1300 WeakPolarHBondContact CA-OE2 3.43Å; T1296-E1300 WeakPolarHBondContact CB-OE2 3.4Å; E1297-E1300 HydrophobicContact CB-CG 4.47Å; E1300-K1315 CarbonylContact O-C 3.52Å; E1300-E1316 PolarHBondContact N-OE1 3Å; E1300-E1316 PolarHBondContact O-N 2.89Å; E1300-V1345 HydrophobicContact CB-CG1 3.93Å; E1300-V1345 HydrophobicContact CG-CG1 4.25Å; E1300-V1345 WeakPolarHBondContact OE1-CG1 3.15Å; E1300-V1345 WeakPolarHBondContact OE2-CG2 3.46Å; E1300-K1347 WeakPolarHBondContact OE1-CE 3.29Å; E1300-K1347 IonicContact OE1-NZ 3.37Å; E1300-K1347 PolarHBondContact OE1-NZ 3.38Å
1301T93.4Very high90.9Very high29 Ų2928.8 Ų28.818%0.17815%0.154CC..EExtended strand (participates in β ladder)trans-97.2124.7176.9-62.30000110.3T1313 V1345 L1346 V1371T1301-T1313 HydrophobicContact CG2-CG2 3.45Å; T1301-T1313 VanDerWaalsContact CG2-CG2 3.45Å; T1301-V1345 CarbonylContact O-C 3.58Å; T1301-L1346 HydrophobicContact CG2-CB 4.48Å; T1301-L1346 PolarHBondContact O-N 2.74Å; T1301-V1371 HydrophobicContact CG2-CG2 4.13Å
1302I94.2Very high91.2Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-100.5133.8-179.2-51-57.1000109.8F1255 M1294 T1296 I1304 T1313 F1314 E1316 V1345F1255-I1302 HydrophobicContact CD1-CG1 4.36Å; F1255-I1302 HydrophobicContact CD1-CG2 4.39Å; F1255-I1302 HydrophobicContact CD2-CG1 4.45Å; F1255-I1302 HydrophobicContact CE1-CG1 4.17Å; F1255-I1302 HydrophobicContact CE1-CG2 4.02Å; F1255-I1302 HydrophobicContact CE2-CG1 4.27Å; F1255-I1302 HydrophobicContact CG-CG1 4.5Å; F1255-I1302 HydrophobicContact CZ-CG1 4.13Å; M1294-I1302 HydrophobicContact CE-CG2 4.08Å; T1296-I1302 HydrophobicContact CG2-CD1 4.05Å; I1302-I1304 HydrophobicContact CG2-CG1 4.07Å; I1302-T1313 VanDerWaalsContact O-CA 3.32Å; I1302-T1313 WeakPolarHBondContact O-CA 3.37Å; I1302-F1314 HydrophobicContact CB-CE2 4.43Å; I1302-F1314 HydrophobicContact CB-CZ 4.48Å; I1302-F1314 PolarHBondContact N-O 3.29Å; I1302-F1314 PolarHBondContact O-N 3.13Å; I1302-E1316 HydrophobicContact CD1-CB 4.37Å; I1302-E1316 HydrophobicContact CG1-CB 3.9Å; I1302-V1345 HydrophobicContact CD1-CG2 3.95Å
1303I94.7Very high91.5Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-109.8135.6165.9-172.5168.8000109.9V1312 S1343 A1344 L1346 V1352 Y1369 L1394 T1396I1303-V1312 WeakPolarHBondContact CA-O 3.24Å; I1303-S1343 CarbonylContact O-C 3.55Å; I1303-S1343 WeakPolarHBondContact O-CA 3.48Å; I1303-S1343 WeakPolarHBondContact O-CB 3.39Å; I1303-A1344 HydrophobicContact CG2-CB 4.22Å; I1303-A1344 WeakPolarHBondContact CG2-O 3.31Å; I1303-A1344 PolarHBondContact N-O 2.76Å; I1303-A1344 PolarHBondContact O-N 3.36Å; I1303-L1346 HydrophobicContact CB-CB 4.39Å; I1303-L1346 HydrophobicContact CB-CD2 4.49Å; I1303-L1346 HydrophobicContact CG2-CB 4.11Å; I1303-V1352 HydrophobicContact CD1-CB 4.49Å; I1303-V1352 HydrophobicContact CD1-CG1 4.01Å; I1303-V1352 HydrophobicContact CD1-CG2 3.64Å; I1303-Y1369 HydrophobicContact CD1-CD1 3.65Å; I1303-Y1369 HydrophobicContact CD1-CD2 4.48Å; I1303-Y1369 HydrophobicContact CD1-CE1 3.94Å; I1303-Y1369 HydrophobicContact CD1-CG 3.94Å; I1303-L1394 HydrophobicContact CD1-CD1 4.23Å; I1303-L1394 HydrophobicContact CD1-CD2 4.36Å; I1303-L1394 HydrophobicContact CG1-CD1 4.45Å; I1303-L1394 HydrophobicContact CG1-CD2 4.18Å; I1303-L1394 HydrophobicContact CG2-CD2 3.76Å; I1303-T1396 HydrophobicContact CG2-CG2 4.15Å
1304I94.6Very high91.6Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-124.1125.2175.7-54.1178.5000108.1V1257 V1263 I1302 S1311 V1312 F1314 I1332 V1340V1257-I1304 HydrophobicContact CG1-CD1 4.07Å; V1257-I1304 HydrophobicContact CG1-CG2 4.23Å; V1257-I1304 HydrophobicContact CG2-CD1 4.44Å; V1263-I1304 HydrophobicContact CG1-CD1 3.55Å; I1302-I1304 HydrophobicContact CG2-CG1 4.07Å; I1304-S1311 CarbonylContact O-C 3.57Å; I1304-S1311 WeakPolarHBondContact O-CA 3.41Å; I1304-S1311 WeakPolarHBondContact O-CB 3.49Å; I1304-V1312 HydrophobicContact CB-CG1 4.1Å; I1304-V1312 PolarHBondContact N-O 3.5Å; I1304-V1312 PolarHBondContact O-N 2.8Å; I1304-F1314 HydrophobicContact CD1-CE1 3.78Å; I1304-F1314 HydrophobicContact CD1-CZ 3.91Å; I1304-F1314 HydrophobicContact CG1-CE1 4.34Å; I1304-I1332 HydrophobicContact CG2-CG2 4.26Å; I1304-V1340 HydrophobicContact CG2-CB 4.32Å; I1304-V1340 HydrophobicContact CG2-CG1 3.55Å; I1304-V1340 HydrophobicContact CG2-CG2 3.8Å
1305G92.8Very high91.8Very high0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-101.8147.5177.500000112.9Y1310 V1340 I1341 G1342G1305-Y1310 CarbonylContact C-O 3.36Å; G1305-Y1310 WeakPolarHBondContact CA-O 3.43Å; G1305-V1340 WeakPolarHBondContact O-CA 3.49Å; G1305-I1341 PolarHBondContact O-N 3.12Å; G1305-G1342 PolarHBondContact N-O 3.15Å
1306T94Very high92Very high0 Ų027.2 Ų27.20%014%0.135CC..EExtended strand (participates in β ladder)trans-115.2156176.377.80000111.9D1308 G1309 Y1310 I1332 L1334 D1338 Y1339 I1341T1306-D1308 VanDerWaalsContact C-N 3.27Å; T1306-D1308 PolarHBondContact O-N 3.4Å; T1306-G1309 PolarHBondContact O-N 3.18Å; T1306-Y1310 PolarHBondContact N-O 3.17Å; T1306-Y1310 PolarHBondContact OG1-N 2.98Å; T1306-I1332 HydrophobicContact CG2-CD1 3.41Å; T1306-I1332 VanDerWaalsContact CG2-CD1 3.41Å; T1306-I1332 HydrophobicContact CG2-CG1 4.47Å; T1306-L1334 HydrophobicContact CG2-CD2 3.57Å; T1306-D1338 VanDerWaalsContact CB-OD1 3.23Å; T1306-D1338 WeakPolarHBondContact CB-OD1 3.27Å; T1306-D1338 WeakPolarHBondContact CB-OD2 3.27Å; T1306-D1338 PolarHBondContact OG1-OD1 3.37Å; T1306-D1338 PolarHBondContact OG1-OD2 3.1Å; T1306-Y1339 CarbonylContact C-O 3.57Å; T1306-Y1339 VanDerWaalsContact CA-O 3.23Å; T1306-Y1339 WeakPolarHBondContact CA-O 3.17Å; T1306-Y1339 WeakPolarHBondContact CB-O 3.47Å; T1306-I1341 VanDerWaalsContact C-CG1 3.41Å
1307H91.9Very high92Very high32 Ų3230 Ų3015%0.14816%0.158CC..THydrogen-bonded Turntrans-53-42.3-179178.1-101.4000112.7G1309 D1338 Y1339 I1341 P1390 L1391H1307-G1309 PolarHBondContact O-N 3.19Å; H1307-G1309 VanDerWaalsContact O-N 3.08Å; H1307-D1338 PolarHBondContact N-OD1 3.46Å; H1307-Y1339 HydrophobicContact CB-CD1 3.99Å; H1307-Y1339 HydrophobicContact CB-CD2 4.36Å; H1307-Y1339 HydrophobicContact CB-CE1 3.69Å; H1307-Y1339 HydrophobicContact CB-CE2 4.12Å; H1307-Y1339 HydrophobicContact CB-CG 4.3Å; H1307-Y1339 AromaticContact CD2-CE1 3.8Å; H1307-Y1339 AromaticContact CD2-CZ 3.41Å; H1307-Y1339 VanDerWaalsContact CD2-CZ 3.41Å; H1307-Y1339 PolarHBondContact CD2-OH 3.29Å; H1307-Y1339 AromaticContact CG-CE1 3.55Å; H1307-Y1339 AromaticContact CG-CZ 3.6Å; H1307-Y1339 PolarHBondContact N-O 3.07Å; H1307-Y1339 AromaticContact ND1-CE1 3.91Å; H1307-Y1339 PolarHBondContact NE2-OH 2.89Å; H1307-I1341 HydrophobicContact CB-CG2 3.64Å; H1307-P1390 WeakPolarHBondContact CE1-CB 3.41Å; H1307-P1390 VanDerWaalsContact CE1-CG 3.45Å; H1307-P1390 WeakPolarHBondContact CE1-CG 3.49Å; H1307-P1390 VanDerWaalsContact NE2-CB 3.31Å; H1307-P1390 WeakPolarHBondContact NE2-CB 3.34Å; H1307-P1390 WeakPolarHBondContact NE2-CG 3.29Å; H1307-P1390 VanDerWaalsContact O-CB 3.3Å; H1307-P1390 WeakPolarHBondContact O-CB 3.48Å; H1307-L1391 PolarHBondContact O-N 2.96Å
1308D91.7Very high92.3Very high61 Ų6127.7 Ų27.733%0.32615%0.152SC..THydrogen-bonded Turntrans-75.77-179.5-73.7-4.7000114.5T1306 Y1310 D1338 V1384T1306-D1308 VanDerWaalsContact C-N 3.27Å; T1306-D1308 PolarHBondContact O-N 3.4Å; D1308-Y1310 HydrophobicContact CB-CD2 3.96Å; D1308-Y1310 HydrophobicContact CB-CE2 3.97Å; D1308-D1338 PolarHBondContact N-OD1 3.05Å; D1308-V1384 WeakPolarHBondContact O-CG2 3.32Å
1309G90.9Very high92.6Very high0 Ų027 Ų270%015%0.146CC..SBendtrans82.234.1175.600000113.8T1306 H1307 T1381 A1382T1306-G1309 PolarHBondContact O-N 3.18Å; H1307-G1309 PolarHBondContact O-N 3.19Å; H1307-G1309 VanDerWaalsContact O-N 3.08Å; G1309-T1381 VanDerWaalsContact C-CG2 3.41Å; G1309-T1381 VanDerWaalsContact O-CG2 3.27Å; G1309-T1381 WeakPolarHBondContact O-CG2 3.42Å; G1309-T1381 PolarHBondContact O-N 3.32Å; G1309-A1382 PolarHBondContact O-N 2.99Å
1310Y93.5Very high92.8Very high59 Ų5930.6 Ų30.623%0.23115%0.151CC..EExtended strand (participates in β ladder)trans-107.9162.3167.6-60-88.9000111.5G1305 T1306 D1308 R1335 I1379 K1380G1305-Y1310 CarbonylContact C-O 3.36Å; G1305-Y1310 WeakPolarHBondContact CA-O 3.43Å; T1306-Y1310 PolarHBondContact N-O 3.17Å; T1306-Y1310 PolarHBondContact OG1-N 2.98Å; D1308-Y1310 HydrophobicContact CB-CD2 3.96Å; D1308-Y1310 HydrophobicContact CB-CE2 3.97Å; Y1310-R1335 VanDerWaalsContact CD1-CZ 3.47Å; Y1310-R1335 VanDerWaalsContact CD2-NH1 3.26Å; Y1310-R1335 VanDerWaalsContact CE1-CZ 3.45Å; Y1310-R1335 VanDerWaalsContact CE2-CZ 3.49Å; Y1310-R1335 VanDerWaalsContact CG-CZ 3.5Å; Y1310-R1335 VanDerWaalsContact CZ-CZ 3.46Å; Y1310-I1379 CarbonylContact C-O 3.52Å; Y1310-I1379 WeakPolarHBondContact CA-O 3.44Å; Y1310-K1380 HydrophobicContact CD1-CB 4.39Å; Y1310-K1380 HydrophobicContact CE1-CB 4.32Å
1311S93.6Very high92.8Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-148.1148.9175.859.30000111.7I1304 Y1369 G1378 I1379I1304-S1311 CarbonylContact O-C 3.57Å; I1304-S1311 WeakPolarHBondContact O-CA 3.41Å; I1304-S1311 WeakPolarHBondContact O-CB 3.49Å; S1311-Y1369 WeakPolarHBondContact OG-CE1 3.41Å; S1311-G1378 CarbonylContact O-C 3.58Å; S1311-G1378 WeakPolarHBondContact O-CA 3.25Å; S1311-I1379 PolarHBondContact N-O 3.43Å; S1311-I1379 PolarHBondContact O-N 2.93Å; S1311-I1379 PolarHBondContact OG-O 3.49Å
1312V94.3Very high92.8Very high5 Ų532.7 Ų32.73%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-120.4142.9168.573.30000109.2I1303 I1304 F1314 I1332I1303-V1312 WeakPolarHBondContact CA-O 3.24Å; I1304-V1312 HydrophobicContact CB-CG1 4.1Å; I1304-V1312 PolarHBondContact N-O 3.5Å; I1304-V1312 PolarHBondContact O-N 2.8Å; V1312-F1314 HydrophobicContact CG1-CD1 4.02Å; V1312-F1314 HydrophobicContact CG1-CE1 3.91Å; V1312-F1314 HydrophobicContact CG2-CD1 4.31Å; V1312-I1332 HydrophobicContact CB-CB 4.46Å; V1312-I1332 HydrophobicContact CB-CD1 3.96Å; V1312-I1332 HydrophobicContact CB-CG1 4.13Å; V1312-I1332 HydrophobicContact CG1-CB 3.66Å; V1312-I1332 HydrophobicContact CG1-CD1 3.8Å; V1312-I1332 HydrophobicContact CG1-CG1 3.85Å
1313T93.8Very high92.6Very high3 Ų335.1 Ų35.12%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-126.2127.5178.7-50.80000108.9T1301 I1302 L1346 V1371 K1372T1301-T1313 HydrophobicContact CG2-CG2 3.45Å; T1301-T1313 VanDerWaalsContact CG2-CG2 3.45Å; I1302-T1313 VanDerWaalsContact O-CA 3.32Å; I1302-T1313 WeakPolarHBondContact O-CA 3.37Å; T1313-L1346 HydrophobicContact CG2-CD2 3.84Å; T1313-V1371 HydrophobicContact CG2-CG2 4.27Å; T1313-V1371 WeakPolarHBondContact O-CA 3.48Å; T1313-K1372 PolarHBondContact O-N 2.89Å; T1313-K1372 VanDerWaalsContact O-N 3.1Å
1314F94.4Very high92.3Very high1 Ų138.2 Ų38.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-152.7153.4179.660.1-90.5000111.4F1255 V1263 I1302 I1304 V1312 V1318 V1319 R1374F1255-F1314 AromaticContact CZ-CE2 3.9Å; F1255-F1314 HydrophobicContact CZ-CE2 3.9Å; F1255-F1314 HydrophobicContact CZ-CZ 4.12Å; V1263-F1314 HydrophobicContact CG1-CZ 4.44Å; V1263-F1314 HydrophobicContact CG2-CZ 4.23Å; I1302-F1314 HydrophobicContact CB-CE2 4.43Å; I1302-F1314 HydrophobicContact CB-CZ 4.48Å; I1302-F1314 PolarHBondContact N-O 3.29Å; I1302-F1314 PolarHBondContact O-N 3.13Å; I1304-F1314 HydrophobicContact CD1-CE1 3.78Å; I1304-F1314 HydrophobicContact CD1-CZ 3.91Å; I1304-F1314 HydrophobicContact CG1-CE1 4.34Å; V1312-F1314 HydrophobicContact CG1-CD1 4.02Å; V1312-F1314 HydrophobicContact CG1-CE1 3.91Å; V1312-F1314 HydrophobicContact CG2-CD1 4.31Å; F1314-V1318 HydrophobicContact CB-CG2 4.47Å; F1314-V1318 HydrophobicContact CD2-CG2 3.87Å; F1314-V1319 HydrophobicContact CE2-CG2 4.01Å; F1314-R1374 HydrophobicContact CB-CB 4.27Å; F1314-R1374 HydrophobicContact CD1-CB 3.91Å; F1314-R1374 HydrophobicContact CD2-CB 3.82Å; F1314-R1374 HydrophobicContact CE1-CB 4.18Å; F1314-R1374 HydrophobicContact CE2-CB 4.11Å; F1314-R1374 HydrophobicContact CG-CB 3.72Å; F1314-R1374 HydrophobicContact CZ-CB 4.28Å
1315K92.8Very high92.1Very high114 Ų11443.3 Ų43.350%0.49623%0.229SC..EExtended strand (participates in β ladder)trans-70.2136.6172.9-67.1-161.7171.6-157.30111E1300 A1317 V1318E1300-K1315 CarbonylContact O-C 3.52Å; K1315-A1317 PolarHBondContact O-N 3.27Å; K1315-V1318 WeakPolarHBondContact O-CG2 3.4Å; K1315-V1318 PolarHBondContact O-N 3.1Å
1316E92.6Very high92.1Very high0 Ų044.7 Ų44.70%024%0.24CC..G310 helixtrans-61.7-30.6-179.174.9172.2136.200112.7F1255 R1265 T1296 G1298 D1299 E1300 I1302 V1318 V1319F1255-E1316 HydrophobicContact CD2-CB 4.06Å; F1255-E1316 HydrophobicContact CE2-CB 3.89Å; R1265-E1316 VanDerWaalsContact CD-OE2 3.22Å; R1265-E1316 WeakPolarHBondContact CD-OE2 3.33Å; R1265-E1316 IonicContact NH1-OE2 3.72Å; T1296-E1316 WeakPolarHBondContact CB-OE1 3.49Å; T1296-E1316 WeakPolarHBondContact CB-OE2 3.44Å; T1296-E1316 PolarHBondContact OG1-OE1 2.81Å; T1296-E1316 PolarHBondContact OG1-OE2 2.86Å; G1298-E1316 VanDerWaalsContact C-CD 3.45Å; G1298-E1316 WeakPolarHBondContact CA-OE1 3.29Å; G1298-E1316 PolarHBondContact N-OE1 3.31Å; G1298-E1316 WeakPolarHBondContact O-CG 3.43Å; D1299-E1316 PolarHBondContact N-OE1 2.94Å; E1300-E1316 PolarHBondContact N-OE1 3Å; E1300-E1316 PolarHBondContact O-N 2.89Å; I1302-E1316 HydrophobicContact CD1-CB 4.37Å; I1302-E1316 HydrophobicContact CG1-CB 3.9Å; E1316-V1318 PolarHBondContact O-N 3.35Å; E1316-V1319 WeakPolarHBondContact O-CA 3.22Å; E1316-V1319 WeakPolarHBondContact O-CB 3.12Å; E1316-V1319 PolarHBondContact O-N 2.77Å
1317A89.7Confident91.9Very high60 Ų6047 Ų4750%0.49626%0.256SS..G310 helixtrans-58.8-17.6-179.300000114K1315 V1319K1315-A1317 PolarHBondContact O-N 3.27Å; A1317-V1319 PolarHBondContact O-N 3.32Å
1318V91.8Very high91.9Very high72 Ų7246.2 Ų46.244%0.43626%0.257SS..G310 helixtrans-76.5-6171.8-57.40000113.4F1314 K1315 E1316 R1374F1314-V1318 HydrophobicContact CB-CG2 4.47Å; F1314-V1318 HydrophobicContact CD2-CG2 3.87Å; K1315-V1318 WeakPolarHBondContact O-CG2 3.4Å; K1315-V1318 PolarHBondContact O-N 3.1Å; E1316-V1318 PolarHBondContact O-N 3.35Å; V1318-R1374 HydrophobicContact CG2-CB 4.19Å; V1318-R1374 HydrophobicContact CG2-CG 4.07Å; V1318-R1374 PolarHBondContact O-NE 3.2Å
1319V91.7Very high92Very high1 Ų145.1 Ų45.11%0.00625%0.253CS..SBendtrans-106.8107.6170.4-177.50000107.4F1255 V1263 R1265 F1314 E1316 A1317 V1329F1255-V1319 HydrophobicContact CE2-CB 4.12Å; F1255-V1319 HydrophobicContact CE2-CG1 4.39Å; F1255-V1319 HydrophobicContact CE2-CG2 4.1Å; F1255-V1319 HydrophobicContact CZ-CG2 4.12Å; V1263-V1319 HydrophobicContact CG2-CG2 3.84Å; R1265-V1319 HydrophobicContact CB-CG1 4.19Å; R1265-V1319 PolarHBondContact NE-O 3.04Å; F1314-V1319 HydrophobicContact CE2-CG2 4.01Å; E1316-V1319 WeakPolarHBondContact O-CA 3.22Å; E1316-V1319 WeakPolarHBondContact O-CB 3.12Å; E1316-V1319 PolarHBondContact O-N 2.77Å; A1317-V1319 PolarHBondContact O-N 3.32Å; V1319-V1329 HydrophobicContact CB-CG2 4.34Å; V1319-V1329 HydrophobicContact CG1-CG2 3.8Å; V1319-V1329 HydrophobicContact CG2-CG2 3.91Å
1320R91.2Very high92.2Very high185 Ų18551.5 Ų51.570%0.69828%0.277SS*.  trans-59.6150.5177.168.5177.3-175.2-177.90.2111.1M1322R1320-M1322 HydrophobicContact CG-CE 3.68Å; R1320-M1322 HydrophobicContact CG-CG 4.01Å; R1320-M1322 WeakPolarHBondContact O-CG 3.28Å
1321D91.3Very high92.1Very high71 Ų7148.7 Ų48.738%0.3827%0.266SS..BIsolated β-bridgetrans-60137166.1-176.528000110.2F1253 T1266 T1267F1253-D1321 HydrophobicContact CE1-CB 4.12Å; T1266-D1321 WeakPolarHBondContact CA-OD1 3.47Å; T1267-D1321 PolarHBondContact N-OD1 2.97Å
1322M92.7Very high92.1Very high22 Ų2248.8 Ų48.811%0.10827%0.266CS..  trans-136.8146.5-177.4-59.6-165.6-171.200111.1K1264 R1265 T1266 R1320 A1326 V1329K1264-M1322 HydrophobicContact CG-CB 4.33Å; R1265-M1322 PolarHBondContact O-N 3.01Å; T1266-M1322 PolarHBondContact OG1-O 3.4Å; R1320-M1322 HydrophobicContact CG-CE 3.68Å; R1320-M1322 HydrophobicContact CG-CG 4.01Å; R1320-M1322 WeakPolarHBondContact O-CG 3.28Å; M1322-A1326 HydrophobicContact CB-CB 3.85Å; M1322-A1326 HydrophobicContact SD-CB 3.97Å; M1322-V1329 HydrophobicContact CE-CG1 3.47Å; M1322-V1329 VanDerWaalsContact CE-CG1 3.47Å
1323G89.7Confident92.1Very high51 Ų5155 Ų5553%0.52629%0.289SS..  trans-58.3155.417300000113.2K1264 T1325 A1326K1264-G1323 WeakPolarHBondContact CE-O 3.45Å; K1264-G1323 PolarHBondContact NZ-O 3.32Å; G1323-T1325 VanDerWaalsContact C-N 3.28Å; G1323-T1325 PolarHBondContact O-N 3.31Å; G1323-T1325 VanDerWaalsContact O-N 3.13Å; G1323-A1326 WeakPolarHBondContact O-CB 3.31Å; G1323-A1326 PolarHBondContact O-N 2.9Å
1324R90.2Very high92Very high65 Ų6557 Ų5725%0.24530%0.299CS..THydrogen-bonded Turntrans-52.2-34.1-175.5-79.2176.537.8-139.9-20.4116K1264 T1266 A1270 F1271 L1279 I1280 A1281 I1282K1264-R1324 PolarHBondContact NZ-O 3.23Å; T1266-R1324 HydrophobicContact CG2-CG 4.06Å; A1270-R1324 HydrophobicContact CB-CG 3.97Å; A1270-R1324 WeakPolarHBondContact O-CD 3.3Å; A1270-R1324 PolarHBondContact O-NH1 3.39Å; F1271-R1324 HydrophobicContact CE1-CG 3.81Å; F1271-R1324 HydrophobicContact CE2-CG 4.46Å; F1271-R1324 HydrophobicContact CZ-CG 3.77Å; L1279-R1324 VanDerWaalsContact CB-NH2 3.33Å; I1280-R1324 WeakPolarHBondContact O-CB 3.1Å; I1280-R1324 PolarHBondContact O-NE 2.84Å; I1280-R1324 PolarHBondContact O-NH2 2.96Å; A1281-R1324 CarbonylContact C-O 3.51Å; I1282-R1324 WeakPolarHBondContact CA-O 3.31Å; I1282-R1324 PolarHBondContact N-O 3.09Å
1325T90.4Very high91.8Very high107 Ų10760.4 Ų60.466%0.65631%0.312SS*.THydrogen-bonded Turntrans-85.2-5.3-179.552.60000114.5G1323G1323-T1325 VanDerWaalsContact C-N 3.28Å; G1323-T1325 PolarHBondContact O-N 3.31Å; G1323-T1325 VanDerWaalsContact O-N 3.13Å
1326A92.5Very high91.5Very high29 Ų2962.4 Ų62.424%0.2433%0.328CS..  trans-71.1150.3178.900000112.2K1264 G1283 M1322 G1323K1264-A1326 WeakPolarHBondContact CD-O 3.46Å; K1264-A1326 PolarHBondContact NZ-O 3.47Å; G1283-A1326 PolarHBondContact N-O 2.79Å; M1322-A1326 HydrophobicContact CB-CB 3.85Å; M1322-A1326 HydrophobicContact SD-CB 3.97Å; G1323-A1326 WeakPolarHBondContact O-CB 3.31Å; G1323-A1326 PolarHBondContact O-N 2.9Å
1327S89.8Confident91.3Very high48 Ų4871 Ų7134%0.33637%0.368SS..  trans-81.6-15.7-179.8-54.40000115.5T1262 G1283T1262-S1327 WeakPolarHBondContact CG2-O 3.41Å; G1283-S1327 WeakPolarHBondContact O-CA 3.21Å; G1283-S1327 WeakPolarHBondContact O-CB 3.44Å; G1283-S1327 PolarHBondContact O-OG 2.88Å
1328G91.3Very high91.4Very high16 Ų1668.6 Ų68.617%0.16535%0.347CS..  trans89.1-171.2-174.900000114.8V1263V1263-G1328 CarbonylContact O-C 3.53Å; V1263-G1328 VanDerWaalsContact O-CA 3.25Å; V1263-G1328 WeakPolarHBondContact O-CA 3.45Å
1329V93.9Very high91.4Very high38 Ų3869.1 Ų69.123%0.2334%0.342CS..EExtended strand (participates in β ladder)trans-122164.1-179.5-62.70000110.8T1262 V1263 V1319 M1322 G1331T1262-V1329 CarbonylContact C-O 3.57Å; T1262-V1329 WeakPolarHBondContact CA-O 3.2Å; T1262-V1329 WeakPolarHBondContact CG2-O 3.43Å; V1263-V1329 HydrophobicContact CG2-CG2 3.94Å; V1263-V1329 PolarHBondContact N-O 2.8Å; V1263-V1329 PolarHBondContact O-N 2.87Å; V1319-V1329 HydrophobicContact CB-CG2 4.34Å; V1319-V1329 HydrophobicContact CG1-CG2 3.8Å; V1319-V1329 HydrophobicContact CG2-CG2 3.91Å; M1322-V1329 HydrophobicContact CE-CG1 3.47Å; M1322-V1329 VanDerWaalsContact CE-CG1 3.47Å; V1329-G1331 PolarHBondContact O-N 2.81Å
1330R94.2Very high91.5Very high135 Ų13569.2 Ų69.251%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-71118.3177-171.9178.5-67.2149.3-0.9111.3I1332R1330-I1332 WeakPolarHBondContact CG-O 3.29Å
1331G92.5Very high91.4Very high0 Ų061.7 Ų61.70%032%0.316CS..  trans-88.9-42.9174.500000113.1G1261 V1329 G1375G1261-G1331 WeakPolarHBondContact O-CA 3.48Å; G1261-G1331 PolarHBondContact O-N 2.81Å; V1329-G1331 PolarHBondContact O-N 2.81Å; G1331-G1375 PolarHBondContact O-N 2.7Å
1332I93.9Very high91.2Very high2 Ų258.7 Ų58.71%0.0130%0.302CS..  trans-134.2147.8175.6-169.4163.6000110.8G1261 I1304 T1306 V1312 R1330 L1334 V1340G1261-I1332 PolarHBondContact O-N 3.47Å; I1304-I1332 HydrophobicContact CG2-CG2 4.26Å; T1306-I1332 HydrophobicContact CG2-CD1 3.41Å; T1306-I1332 VanDerWaalsContact CG2-CD1 3.41Å; T1306-I1332 HydrophobicContact CG2-CG1 4.47Å; V1312-I1332 HydrophobicContact CB-CB 4.46Å; V1312-I1332 HydrophobicContact CB-CD1 3.96Å; V1312-I1332 HydrophobicContact CB-CG1 4.13Å; V1312-I1332 HydrophobicContact CG1-CB 3.66Å; V1312-I1332 HydrophobicContact CG1-CD1 3.8Å; V1312-I1332 HydrophobicContact CG1-CG1 3.85Å; R1330-I1332 WeakPolarHBondContact CG-O 3.29Å; I1332-L1334 HydrophobicContact CG2-CD2 3.96Å; I1332-L1334 HydrophobicContact CG2-CG 4.31Å; I1332-V1340 HydrophobicContact CG2-CG2 3.84Å
1333R92.9Very high91.2Very high136 Ų13658 Ų5851%0.51330%0.299SS..  trans-99.2105.4171.1-166.8175.7-153.8153.52.6109.1G1375 G1376 K1377R1333-G1375 WeakPolarHBondContact CB-O 3.32Å; R1333-G1376 PolarHBondContact N-O 3.21Å; R1333-K1377 HydrophobicContact CB-CG 4.46Å; R1333-K1377 WeakPolarHBondContact O-CA 3.22Å
1334L91.8Very high91.3Very high43 Ų4355.8 Ų55.823%0.22528%0.276CS..PPolyproline II helixtrans-71155.7-179.4-60.6169.3000111.6K1259 K1260 T1306 I1332 V1340K1259-L1334 WeakPolarHBondContact O-CD1 3.31Å; K1260-L1334 WeakPolarHBondContact O-CD1 3.37Å; T1306-L1334 HydrophobicContact CG2-CD2 3.57Å; I1332-L1334 HydrophobicContact CG2-CD2 3.96Å; I1332-L1334 HydrophobicContact CG2-CG 4.31Å; L1334-V1340 HydrophobicContact CD2-CG2 4.25Å
1335R91.5Very high91.3Very high73 Ų7353.8 Ų53.828%0.27527%0.271SS..PPolyproline II helixtrans-84169.3167.1-68.2165.1-174.868.56.9108.7Y1310 E1337 D1338 K1377Y1310-R1335 VanDerWaalsContact CD1-CZ 3.47Å; Y1310-R1335 VanDerWaalsContact CD2-NH1 3.26Å; Y1310-R1335 VanDerWaalsContact CE1-CZ 3.45Å; Y1310-R1335 VanDerWaalsContact CE2-CZ 3.49Å; Y1310-R1335 VanDerWaalsContact CG-CZ 3.5Å; Y1310-R1335 VanDerWaalsContact CZ-CZ 3.46Å; R1335-E1337 PolarHBondContact O-N 2.67Å; R1335-D1338 HydrophobicContact CB-CB 4.01Å; R1335-D1338 PolarHBondContact O-N 3.04Å; R1335-K1377 PolarHBondContact NH1-O 3.4Å; R1335-K1377 PolarHBondContact NH2-O 3.07Å; R1335-K1377 VanDerWaalsContact NH2-O 3.07Å
1336D86.9Confident91.4Very high156 Ų15649.3 Ų49.383%0.83424%0.243SC*.THydrogen-bonded Turntrans-59.6133.9174.8-62.1-22.5000109.5D1338D1336-D1338 PolarHBondContact O-N 3.33Å; D1336-D1338 VanDerWaalsContact O-N 3.1Å
1337E86.6Confident91.2Very high181 Ų18152.4 Ų52.485%0.84625%0.251SS*.THydrogen-bonded Turntrans63.2-1-174.9-51.5-57.1140.500116.9R1335R1335-E1337 PolarHBondContact O-N 2.67Å
1338D92.3Very high91Very high10 Ų1059.5 Ų59.55%0.05328%0.279CS..  trans-84.5149.9176-16414.9000110.8T1306 H1307 D1308 R1335 D1336T1306-D1338 VanDerWaalsContact CB-OD1 3.23Å; T1306-D1338 WeakPolarHBondContact CB-OD1 3.27Å; T1306-D1338 WeakPolarHBondContact CB-OD2 3.27Å; T1306-D1338 PolarHBondContact OG1-OD1 3.37Å; T1306-D1338 PolarHBondContact OG1-OD2 3.1Å; H1307-D1338 PolarHBondContact N-OD1 3.46Å; D1308-D1338 PolarHBondContact N-OD1 3.05Å; R1335-D1338 HydrophobicContact CB-CB 4.01Å; R1335-D1338 PolarHBondContact O-N 3.04Å; D1336-D1338 PolarHBondContact O-N 3.33Å; D1336-D1338 VanDerWaalsContact O-N 3.1Å
1339Y92.6Very high90.9Very high82 Ų8264.4 Ų64.432%0.32230%0.301SS..  trans-148.2159.6-17959-84.9000111.7T1306 H1307 I1341T1306-Y1339 CarbonylContact C-O 3.57Å; T1306-Y1339 VanDerWaalsContact CA-O 3.23Å; T1306-Y1339 WeakPolarHBondContact CA-O 3.17Å; T1306-Y1339 WeakPolarHBondContact CB-O 3.47Å; H1307-Y1339 HydrophobicContact CB-CD1 3.99Å; H1307-Y1339 HydrophobicContact CB-CD2 4.36Å; H1307-Y1339 HydrophobicContact CB-CE1 3.69Å; H1307-Y1339 HydrophobicContact CB-CE2 4.12Å; H1307-Y1339 HydrophobicContact CB-CG 4.3Å; H1307-Y1339 AromaticContact CD2-CE1 3.8Å; H1307-Y1339 AromaticContact CD2-CZ 3.41Å; H1307-Y1339 VanDerWaalsContact CD2-CZ 3.41Å; H1307-Y1339 PolarHBondContact CD2-OH 3.29Å; H1307-Y1339 AromaticContact CG-CE1 3.55Å; H1307-Y1339 AromaticContact CG-CZ 3.6Å; H1307-Y1339 PolarHBondContact N-O 3.07Å; H1307-Y1339 AromaticContact ND1-CE1 3.91Å; H1307-Y1339 PolarHBondContact NE2-OH 2.89Å; Y1339-I1341 HydrophobicContact CD2-CG2 3.92Å; Y1339-I1341 HydrophobicContact CE2-CG2 3.58Å
1340V93.5Very high90.7Very high3 Ų364.1 Ų64.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-71.1129.2177.7177.10000110.1V1257 K1259 V1291 I1304 G1305 I1332 L1334V1257-V1340 HydrophobicContact CG1-CG1 3.94Å; K1259-V1340 PolarHBondContact O-N 2.66Å; V1291-V1340 HydrophobicContact CG1-CG1 4.4Å; I1304-V1340 HydrophobicContact CG2-CB 4.32Å; I1304-V1340 HydrophobicContact CG2-CG1 3.55Å; I1304-V1340 HydrophobicContact CG2-CG2 3.8Å; G1305-V1340 WeakPolarHBondContact O-CA 3.49Å; I1332-V1340 HydrophobicContact CG2-CG2 3.84Å; L1334-V1340 HydrophobicContact CD2-CG2 4.25Å
1341I90Very high90.7Very high27 Ų2758.4 Ų58.414%0.13828%0.277CS..EExtended strand (participates in β ladder)trans-112-10.6179.55383.6000113.5G1305 T1306 H1307 Y1339 L1391 G1393 L1394G1305-I1341 PolarHBondContact O-N 3.12Å; T1306-I1341 VanDerWaalsContact C-CG1 3.41Å; H1307-I1341 HydrophobicContact CB-CG2 3.64Å; Y1339-I1341 HydrophobicContact CD2-CG2 3.92Å; Y1339-I1341 HydrophobicContact CE2-CG2 3.58Å; I1341-L1391 HydrophobicContact CD1-CB 3.87Å; I1341-L1391 HydrophobicContact CD1-CD1 4.3Å; I1341-L1391 HydrophobicContact CG1-CB 4.09Å; I1341-G1393 VanDerWaalsContact CD1-C 3.45Å; I1341-L1394 HydrophobicContact CD1-CB 3.86Å
1342G86.9Confident90.7Very high9 Ų958.4 Ų58.49%0.09328%0.277CS..EExtended strand (participates in β ladder)trans179.8154.2-177.600000111.6G1305G1305-G1342 PolarHBondContact N-O 3.15Å
1343S92Very high90.7Very high6 Ų658.3 Ų58.34%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-148.2149.2171.552.70000108.8V1257 N1292 M1294 I1303V1257-S1343 WeakPolarHBondContact CG2-OG 3.39Å; N1292-S1343 PolarHBondContact ND2-O 3.13Å; N1292-S1343 VanDerWaalsContact ND2-O 3.07Å; N1292-S1343 PolarHBondContact ND2-OG 3.07Å; M1294-S1343 WeakPolarHBondContact CE-OG 3.48Å; M1294-S1343 VanDerWaalsContact SD-C 3.54Å; M1294-S1343 VanDerWaalsContact SD-O 3.4Å; I1303-S1343 CarbonylContact O-C 3.55Å; I1303-S1343 WeakPolarHBondContact O-CA 3.48Å; I1303-S1343 WeakPolarHBondContact O-CB 3.39Å
1344A90.7Very high90.6Very high6 Ų652 Ų525%0.0525%0.252CS..EExtended strand (participates in β ladder)trans-150.1159.1179.700000110M1294 I1303 T1396M1294-A1344 WeakPolarHBondContact SD-CA 3.32Å; I1303-A1344 HydrophobicContact CG2-CB 4.22Å; I1303-A1344 WeakPolarHBondContact CG2-O 3.31Å; I1303-A1344 PolarHBondContact N-O 2.76Å; I1303-A1344 PolarHBondContact O-N 3.36Å; A1344-T1396 HydrophobicContact CB-CG2 3.95Å
1345V91.8Very high90.6Very high22 Ų2250 Ų5013%0.13324%0.242CC..EExtended strand (participates in β ladder)trans-74.5130.7164174.80000108.5T1296 E1300 T1301 I1302 K1347 Q1350 T1396T1296-V1345 HydrophobicContact CG2-CG2 3.98Å; E1300-V1345 HydrophobicContact CB-CG1 3.93Å; E1300-V1345 HydrophobicContact CG-CG1 4.25Å; E1300-V1345 WeakPolarHBondContact OE1-CG1 3.15Å; E1300-V1345 WeakPolarHBondContact OE2-CG2 3.46Å; T1301-V1345 CarbonylContact O-C 3.58Å; I1302-V1345 HydrophobicContact CD1-CG2 3.95Å; V1345-K1347 HydrophobicContact CG1-CG 4.21Å; V1345-Q1350 PolarHBondContact O-OE1 2.76Å; V1345-T1396 WeakPolarHBondContact O-CB 3.14Å; V1345-T1396 WeakPolarHBondContact O-CG2 3.18Å; V1345-T1396 PolarHBondContact O-OG1 2.95Å
1346L92.2Very high90.6Very high14 Ų1446.7 Ų46.77%0.07323%0.23CC..  trans-109.9103.2-179.2-178.166.9000110.4T1301 I1303 T1313 V1352 A1366 T1396T1301-L1346 HydrophobicContact CG2-CB 4.48Å; T1301-L1346 PolarHBondContact O-N 2.74Å; I1303-L1346 HydrophobicContact CB-CB 4.39Å; I1303-L1346 HydrophobicContact CB-CD2 4.49Å; I1303-L1346 HydrophobicContact CG2-CB 4.11Å; T1313-L1346 HydrophobicContact CG2-CD2 3.84Å; L1346-V1352 HydrophobicContact CD1-CG2 3.65Å; L1346-A1366 HydrophobicContact CD1-CB 3.66Å; L1346-A1366 HydrophobicContact CD2-CB 4.26Å; L1346-A1366 HydrophobicContact CG-CB 3.96Å; L1346-T1396 HydrophobicContact CB-CG2 4.28Å; L1346-T1396 HydrophobicContact CD1-CG2 3.58Å
1347K89Confident90.6Very high93 Ų9340.9 Ų40.940%0.40420%0.198SC..  trans-89.9155.5172.1-57.7-172.7178.6-171.80110.7E1300 V1345 N1349 Q1350 A1366E1300-K1347 WeakPolarHBondContact OE1-CE 3.29Å; E1300-K1347 IonicContact OE1-NZ 3.37Å; E1300-K1347 PolarHBondContact OE1-NZ 3.38Å; V1345-K1347 HydrophobicContact CG1-CG 4.21Å; K1347-N1349 VanDerWaalsContact C-N 3.27Å; K1347-N1349 WeakPolarHBondContact CB-OD1 3.49Å; K1347-N1349 PolarHBondContact O-N 2.76Å; K1347-Q1350 HydrophobicContact CB-CG 4.14Å; K1347-Q1350 PolarHBondContact O-N 2.66Å; K1347-Q1350 VanDerWaalsContact O-N 3.11Å; K1347-A1366 WeakPolarHBondContact O-CB 3.4Å
1348E85.7Confident90.7Very high197 Ų19736.6 Ų36.692%0.92118%0.177SC*.THydrogen-bonded Turntrans-63.3-30.8-174.7-73.6-170.6166.200113.7Q1350E1348-Q1350 VanDerWaalsContact C-N 3.29Å
1349N88.2Confident90.5Very high119 Ų11936.1 Ų36.164%0.63617%0.174SC*.THydrogen-bonded Turntrans-82.1-1.2177.765.4-25.8000113.9K1347K1347-N1349 VanDerWaalsContact C-N 3.27Å; K1347-N1349 WeakPolarHBondContact CB-OD1 3.49Å; K1347-N1349 PolarHBondContact O-N 2.76Å
1350Q90.4Very high90.4Very high32 Ų3233.8 Ų33.815%0.1517%0.165CC..  trans-100166.4-177.6-70.4177.7-28.700112.7V1345 K1347 E1348 A1366 T1396 V1397 T1398V1345-Q1350 PolarHBondContact O-OE1 2.76Å; K1347-Q1350 HydrophobicContact CB-CG 4.14Å; K1347-Q1350 PolarHBondContact O-N 2.66Å; K1347-Q1350 VanDerWaalsContact O-N 3.11Å; E1348-Q1350 VanDerWaalsContact C-N 3.29Å; Q1350-A1366 VanDerWaalsContact O-CB 3.3Å; Q1350-A1366 WeakPolarHBondContact O-CB 3.46Å; Q1350-A1366 PolarHBondContact O-N 3.13Å; Q1350-A1366 VanDerWaalsContact O-N 3.11Å; Q1350-T1396 PolarHBondContact OE1-OG1 2.85Å; Q1350-V1397 CarbonylContact C-O 3.53Å; Q1350-V1397 WeakPolarHBondContact CA-O 3.4Å; Q1350-T1398 HydrophobicContact CG-CG2 3.94Å
1351E92.9Very high90.2Very high16 Ų1633.7 Ų33.78%0.07517%0.165CC..EExtended strand (participates in β ladder)trans-122.4139.8174.2-49.9-169.612700109.7L1353 R1363 T1364 T1396 V1397 Q1422E1351-L1353 PolarHBondContact O-N 3.09Å; E1351-R1363 HydrophobicContact CB-CB 4.08Å; E1351-R1363 WeakPolarHBondContact OE2-CB 3.24Å; E1351-R1363 VanDerWaalsContact OE2-CD 3.31Å; E1351-R1363 WeakPolarHBondContact OE2-CD 3.28Å; E1351-R1363 IonicContact OE2-CZ 3.68Å; E1351-R1363 VanDerWaalsContact OE2-CZ 3.26Å; E1351-R1363 IonicContact OE2-NE 2.72Å; E1351-R1363 PolarHBondContact OE2-NE 2.87Å; E1351-R1363 IonicContact OE2-NH1 3.26Å; E1351-R1363 PolarHBondContact OE2-NH1 3.21Å; E1351-T1364 CarbonylContact C-O 3.59Å; E1351-T1364 WeakPolarHBondContact CA-O 3.5Å; E1351-T1396 CarbonylContact O-C 3.14Å; E1351-T1396 WeakPolarHBondContact O-CA 3.28Å; E1351-V1397 HydrophobicContact CB-CG2 4.49Å; E1351-V1397 PolarHBondContact N-O 2.74Å; E1351-V1397 PolarHBondContact O-N 3.39Å; E1351-Q1422 WeakPolarHBondContact OE1-CG 3.39Å; E1351-Q1422 PolarHBondContact OE1-OE1 2.9Å
1352V93.1Very high90.3Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-77.5113.4174.1-1770000108.5I1303 L1346 V1354 R1363 T1364 Y1369 L1394 T1395 T1396I1303-V1352 HydrophobicContact CD1-CB 4.49Å; I1303-V1352 HydrophobicContact CD1-CG1 4.01Å; I1303-V1352 HydrophobicContact CD1-CG2 3.64Å; L1346-V1352 HydrophobicContact CD1-CG2 3.65Å; V1352-V1354 HydrophobicContact CG1-CG1 4.02Å; V1352-R1363 CarbonylContact O-C 3.6Å; V1352-R1363 WeakPolarHBondContact O-CA 3.34Å; V1352-T1364 PolarHBondContact N-O 3.08Å; V1352-T1364 PolarHBondContact O-N 3.48Å; V1352-Y1369 HydrophobicContact CB-CD2 4.21Å; V1352-Y1369 HydrophobicContact CB-CE2 3.52Å; V1352-Y1369 HydrophobicContact CG1-CE2 4.17Å; V1352-Y1369 HydrophobicContact CG2-CD2 3.54Å; V1352-Y1369 HydrophobicContact CG2-CE2 3.39Å; V1352-Y1369 HydrophobicContact CG2-CG 4.24Å; V1352-L1394 HydrophobicContact CG1-CD1 3.76Å; V1352-L1394 HydrophobicContact CG1-CD2 4.09Å; V1352-L1394 HydrophobicContact CG1-CG 3.73Å; V1352-T1395 CarbonylContact C-O 3.5Å; V1352-T1395 WeakPolarHBondContact CA-O 3.46Å; V1352-T1396 HydrophobicContact CG2-CG2 4.32Å
1353L92.8Very high90.6Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-88.6119.8170.1178.865.1000108.8E1351 I1355 K1362 R1363 L1394 T1395 V1397 I1403 V1420 M1444E1351-L1353 PolarHBondContact O-N 3.09Å; L1353-I1355 HydrophobicContact CD1-CG1 4.3Å; L1353-I1355 HydrophobicContact CD2-CD1 4.13Å; L1353-I1355 HydrophobicContact CG-CD1 4.27Å; L1353-I1355 HydrophobicContact CG-CG1 4.16Å; L1353-K1362 WeakPolarHBondContact CA-O 3.36Å; L1353-R1363 HydrophobicContact CD1-CG 3.88Å; L1353-L1394 WeakPolarHBondContact O-CA 3.41Å; L1353-T1395 HydrophobicContact CB-CG2 4.11Å; L1353-T1395 HydrophobicContact CD2-CG2 4.25Å; L1353-T1395 PolarHBondContact N-O 3.34Å; L1353-T1395 PolarHBondContact O-N 3.13Å; L1353-V1397 HydrophobicContact CB-CG1 4.19Å; L1353-V1397 HydrophobicContact CB-CG2 3.99Å; L1353-V1397 HydrophobicContact CD2-CG1 4.06Å; L1353-I1403 HydrophobicContact CD2-CD1 3.61Å; L1353-I1403 HydrophobicContact CD2-CG1 3.7Å; L1353-I1403 HydrophobicContact CD2-CG2 4.07Å; L1353-V1420 HydrophobicContact CD1-CB 4.47Å; L1353-V1420 HydrophobicContact CD1-CG1 4.02Å; L1353-V1420 HydrophobicContact CD1-CG2 4.4Å; L1353-M1444 HydrophobicContact CD2-SD 4.35Å
1354V92.3Very high90.6Very high2 Ų233.1 Ų33.11%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-115.5138.5170.5-63.80000109.5V1352 G1361 K1362 T1381 A1382 L1391 L1394V1352-V1354 HydrophobicContact CG1-CG1 4.02Å; V1354-G1361 CarbonylContact O-C 3.55Å; V1354-G1361 WeakPolarHBondContact O-CA 2.99Å; V1354-K1362 HydrophobicContact CG2-CD 4.22Å; V1354-K1362 HydrophobicContact CG2-CG 3.48Å; V1354-K1362 VanDerWaalsContact CG2-CG 3.48Å; V1354-K1362 PolarHBondContact N-O 3.43Å; V1354-K1362 PolarHBondContact O-N 3.14Å; V1354-T1381 HydrophobicContact CG1-CG2 4.47Å; V1354-A1382 HydrophobicContact CG2-CB 4.48Å; V1354-L1391 HydrophobicContact CB-CD1 4.29Å; V1354-L1391 HydrophobicContact CB-CD2 3.96Å; V1354-L1391 HydrophobicContact CG1-CD1 4.18Å; V1354-L1391 HydrophobicContact CG2-CD2 4.37Å; V1354-L1394 HydrophobicContact CG1-CB 4.25Å; V1354-L1394 HydrophobicContact CG1-CD1 3.77Å; V1354-L1394 HydrophobicContact CG1-CG 3.96Å
1355I91.1Very high90.7Very high2 Ų237.8 Ų37.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-129.3137.4178.2-52.7179.4000108.4L1353 Y1360 A1392 G1393 I1403 L1405 L1432 V1441 M1444L1353-I1355 HydrophobicContact CD1-CG1 4.3Å; L1353-I1355 HydrophobicContact CD2-CD1 4.13Å; L1353-I1355 HydrophobicContact CG-CD1 4.27Å; L1353-I1355 HydrophobicContact CG-CG1 4.16Å; I1355-Y1360 CarbonylContact C-O 3.55Å; I1355-Y1360 WeakPolarHBondContact CA-O 3.2Å; I1355-A1392 PolarHBondContact O-N 3.49Å; I1355-G1393 PolarHBondContact N-O 3.14Å; I1355-G1393 VanDerWaalsContact N-O 3.14Å; I1355-G1393 PolarHBondContact O-N 2.99Å; I1355-I1403 HydrophobicContact CD1-CG2 4.24Å; I1355-L1405 HydrophobicContact CD1-CD1 4.06Å; I1355-L1405 HydrophobicContact CD1-CD2 3.59Å; I1355-L1405 HydrophobicContact CD1-CG 3.98Å; I1355-L1405 HydrophobicContact CG2-CD1 4.3Å; I1355-L1405 HydrophobicContact CG2-CD2 4.06Å; I1355-L1432 HydrophobicContact CB-CD1 4.45Å; I1355-L1432 HydrophobicContact CD1-CD1 3.72Å; I1355-L1432 HydrophobicContact CG1-CD1 3.73Å; I1355-L1432 HydrophobicContact CG2-CD1 4.02Å; I1355-V1441 HydrophobicContact CG2-CG1 4.24Å; I1355-M1444 HydrophobicContact CD1-CB 4.29Å; I1355-M1444 HydrophobicContact CD1-SD 3.51Å; I1355-M1444 VanDerWaalsContact CD1-SD 3.51Å; I1355-M1444 HydrophobicContact CG1-SD 4.01Å
1356T91.3Very high90.7Very high3 Ų337.2 Ų37.22%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-99.1156.9-179.172.90000110.7K1358 G1359 Y1360 N1388 P1390 L1391T1356-K1358 PolarHBondContact O-N 2.93Å; T1356-K1358 VanDerWaalsContact O-N 3.07Å; T1356-G1359 PolarHBondContact O-N 3.05Å; T1356-Y1360 PolarHBondContact N-O 3.08Å; T1356-Y1360 WeakPolarHBondContact OG1-CB 3.42Å; T1356-Y1360 PolarHBondContact OG1-N 3.15Å; T1356-Y1360 PolarHBondContact OG1-O 3.13Å; T1356-N1388 WeakPolarHBondContact CB-O 3.31Å; T1356-N1388 HydrophobicContact CG2-CB 4.01Å; T1356-N1388 PolarHBondContact OG1-O 2.74Å; T1356-P1390 CarbonylContact C-O 3.51Å; T1356-P1390 WeakPolarHBondContact CA-O 3.41Å; T1356-P1390 VanDerWaalsContact CB-O 3.26Å; T1356-P1390 WeakPolarHBondContact CB-O 3.37Å; T1356-L1391 HydrophobicContact CG2-CD2 3.76Å
1357E88.3Confident90.6Very high34 Ų3441.5 Ų41.516%0.15921%0.205CC..THydrogen-bonded Turntrans-55.3-30.5-179.8-67.6-169.7148.100112.9G1359 P1390 A1392 K1440 V1441E1357-G1359 VanDerWaalsContact C-N 3.27Å; E1357-G1359 PolarHBondContact O-N 3.42Å; E1357-P1390 HydrophobicContact CG-CG 4.08Å; E1357-P1390 PolarHBondContact N-O 3.49Å; E1357-A1392 HydrophobicContact CG-CB 4.19Å; E1357-K1440 HydrophobicContact CB-CB 4.38Å; E1357-K1440 HydrophobicContact CB-CD 4.37Å; E1357-K1440 HydrophobicContact CB-CG 4.36Å; E1357-K1440 CarbonylContact O-C 3.53Å; E1357-K1440 WeakPolarHBondContact O-CA 3.3Å; E1357-K1440 IonicContact OE1-NZ 3.57Å; E1357-K1440 PolarHBondContact OE1-NZ 3.39Å; E1357-K1440 WeakPolarHBondContact OE2-CE 3.25Å; E1357-K1440 IonicContact OE2-NZ 2.67Å; E1357-K1440 PolarHBondContact OE2-NZ 2.84Å; E1357-V1441 PolarHBondContact O-N 3.04Å
1358K88.4Confident90.7Very high92 Ų9241.2 Ų41.240%0.421%0.205SC..THydrogen-bonded Turntrans-88.618.4178.3-53.9-172.5172.7-175.40114.2T1356 Y1360 E1386 K1387 N1388 M1435T1356-K1358 PolarHBondContact O-N 2.93Å; T1356-K1358 VanDerWaalsContact O-N 3.07Å; K1358-Y1360 HydrophobicContact CB-CD2 4.36Å; K1358-E1386 WeakPolarHBondContact CE-O 3.45Å; K1358-E1386 PolarHBondContact NZ-O 2.8Å; K1358-K1387 WeakPolarHBondContact CD-O 3.47Å; K1358-N1388 VanDerWaalsContact CB-O 3.22Å; K1358-N1388 WeakPolarHBondContact CB-O 3.49Å; K1358-N1388 WeakPolarHBondContact CG-O 3.35Å; K1358-N1388 PolarHBondContact N-O 3.08Å; K1358-M1435 VanDerWaalsContact O-CG 3.31Å; K1358-M1435 WeakPolarHBondContact O-CG 3.34Å
1359G86.6Confident91Very high0 Ų032.1 Ų32.10%016%0.162CC..SBendtrans73.526.6173.400000114.7T1356 E1357 L1432T1356-G1359 PolarHBondContact O-N 3.05Å; E1357-G1359 VanDerWaalsContact C-N 3.27Å; E1357-G1359 PolarHBondContact O-N 3.42Å; G1359-L1432 PolarHBondContact O-N 3.33Å
1360Y90.4Very high91Very high32 Ų3229 Ų2913%0.12515%0.149CC..EExtended strand (participates in β ladder)trans-97142.4166.7-68.2-103.5000109.2I1355 T1356 K1358 K1387 N1388 L1428 V1430 R1431I1355-Y1360 CarbonylContact C-O 3.55Å; I1355-Y1360 WeakPolarHBondContact CA-O 3.2Å; T1356-Y1360 PolarHBondContact N-O 3.08Å; T1356-Y1360 WeakPolarHBondContact OG1-CB 3.42Å; T1356-Y1360 PolarHBondContact OG1-N 3.15Å; T1356-Y1360 PolarHBondContact OG1-O 3.13Å; K1358-Y1360 HydrophobicContact CB-CD2 4.36Å; Y1360-K1387 HydrophobicContact CE2-CG 4.49Å; Y1360-K1387 WeakPolarHBondContact CE2-O 3.29Å; Y1360-K1387 WeakPolarHBondContact OH-CE 3.39Å; Y1360-N1388 HydrophobicContact CD2-CB 3.84Å; Y1360-N1388 HydrophobicContact CG-CB 3.92Å; Y1360-L1428 HydrophobicContact CD1-CD2 3.82Å; Y1360-L1428 HydrophobicContact CE1-CD2 3.89Å; Y1360-V1430 CarbonylContact C-O 3.5Å; Y1360-V1430 VanDerWaalsContact CA-O 3.31Å; Y1360-V1430 WeakPolarHBondContact CA-O 3.09Å; Y1360-R1431 HydrophobicContact CD1-CB 4.48Å; Y1360-R1431 HydrophobicContact CE1-CB 4.32Å
1361G90.4Very high90.9Very high2 Ų231.3 Ų31.32%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-152.2165.5173.300000112.6V1354 G1429 V1430V1354-G1361 CarbonylContact O-C 3.55Å; V1354-G1361 WeakPolarHBondContact O-CA 2.99Å; G1361-G1429 CarbonylContact O-C 3.57Å; G1361-G1429 WeakPolarHBondContact O-CA 3.4Å; G1361-V1430 PolarHBondContact N-O 2.74Å; G1361-V1430 PolarHBondContact O-N 2.95Å
1362K92.2Very high90.5Very high1 Ų137.9 Ų37.90%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-150.9153.7179.259.5176.7-173.666.30109.9L1353 V1354 T1364 T1381 T1423 R1425 T1427L1353-K1362 WeakPolarHBondContact CA-O 3.36Å; V1354-K1362 HydrophobicContact CG2-CD 4.22Å; V1354-K1362 HydrophobicContact CG2-CG 3.48Å; V1354-K1362 VanDerWaalsContact CG2-CG 3.48Å; V1354-K1362 PolarHBondContact N-O 3.43Å; V1354-K1362 PolarHBondContact O-N 3.14Å; K1362-T1364 PolarHBondContact NZ-OG1 2.89Å; K1362-T1381 WeakPolarHBondContact CE-O 3.33Å; K1362-T1381 PolarHBondContact NZ-O 3.24Å; K1362-T1423 WeakPolarHBondContact CB-OG1 3.24Å; K1362-T1423 WeakPolarHBondContact CD-OG1 3.45Å; K1362-R1425 WeakPolarHBondContact CE-O 3.38Å; K1362-R1425 PolarHBondContact NZ-O 2.79Å; K1362-T1427 WeakPolarHBondContact CD-OG1 3.2Å
1363R93Very high90.1Very high28 Ų2839.4 Ų39.411%0.10621%0.209CC..EExtended strand (participates in β ladder)trans-97.7144163.9-63.8-177.6-63.6150.1-11.2109.4E1351 V1352 L1353 V1397 A1417 G1418 V1420 S1421 Q1422 T1423E1351-R1363 HydrophobicContact CB-CB 4.08Å; E1351-R1363 WeakPolarHBondContact OE2-CB 3.24Å; E1351-R1363 VanDerWaalsContact OE2-CD 3.31Å; E1351-R1363 WeakPolarHBondContact OE2-CD 3.28Å; E1351-R1363 IonicContact OE2-CZ 3.68Å; E1351-R1363 VanDerWaalsContact OE2-CZ 3.26Å; E1351-R1363 IonicContact OE2-NE 2.72Å; E1351-R1363 PolarHBondContact OE2-NE 2.87Å; E1351-R1363 IonicContact OE2-NH1 3.26Å; E1351-R1363 PolarHBondContact OE2-NH1 3.21Å; V1352-R1363 CarbonylContact O-C 3.6Å; V1352-R1363 WeakPolarHBondContact O-CA 3.34Å; L1353-R1363 HydrophobicContact CD1-CG 3.88Å; R1363-V1397 HydrophobicContact CG-CG2 4.19Å; R1363-A1417 WeakPolarHBondContact CD-O 3.33Å; R1363-A1417 PolarHBondContact NE-O 2.83Å; R1363-A1417 VanDerWaalsContact NE-O 3.08Å; R1363-G1418 PolarHBondContact NH2-O 2.92Å; R1363-V1420 HydrophobicContact CG-CB 4.08Å; R1363-V1420 HydrophobicContact CG-CG1 4.11Å; R1363-V1420 VanDerWaalsContact CZ-O 3.31Å; R1363-V1420 PolarHBondContact NE-O 2.74Å; R1363-V1420 PolarHBondContact NH2-O 2.85Å; R1363-S1421 PolarHBondContact N-O 2.91Å; R1363-S1421 VanDerWaalsContact N-O 3.09Å; R1363-Q1422 CarbonylContact O-C 3.14Å; R1363-Q1422 VanDerWaalsContact O-CA 3.28Å; R1363-Q1422 WeakPolarHBondContact O-CA 3.25Å; R1363-T1423 PolarHBondContact O-N 3.17Å; R1363-T1423 VanDerWaalsContact O-O 3.14Å
1364T92.9Very high90Very high0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-139.2124.9175.2-62.90000108.8E1351 V1352 K1362 E1368 Y1369 T1423 R1425E1351-T1364 CarbonylContact C-O 3.59Å; E1351-T1364 WeakPolarHBondContact CA-O 3.5Å; V1352-T1364 PolarHBondContact N-O 3.08Å; V1352-T1364 PolarHBondContact O-N 3.48Å; K1362-T1364 PolarHBondContact NZ-OG1 2.89Å; T1364-E1368 HydrophobicContact CG2-CB 3.7Å; T1364-E1368 HydrophobicContact CG2-CG 3.92Å; T1364-Y1369 HydrophobicContact CG2-CD2 4.4Å; T1364-Y1369 HydrophobicContact CG2-CE2 3.57Å; T1364-T1423 WeakPolarHBondContact CA-O 3.46Å; T1364-T1423 WeakPolarHBondContact CB-O 3.48Å; T1364-T1423 WeakPolarHBondContact CG2-O 3.35Å; T1364-T1423 PolarHBondContact OG1-O 3.39Å; T1364-R1425 HydrophobicContact CG2-CG 3.7Å
1365K92.4Very high89.8Confident104 Ų10446 Ų4645%0.45224%0.24SC..EExtended strand (participates in β ladder)trans-50.2141.9-178.5-72.8-177.6162.8179.70112.7S1367 E1368 Q1422K1365-S1367 PolarHBondContact O-N 3.46Å; K1365-S1367 VanDerWaalsContact O-N 3.15Å; K1365-E1368 WeakPolarHBondContact O-CB 3.33Å; K1365-E1368 PolarHBondContact O-N 3.29Å; K1365-Q1422 HydrophobicContact CG-CG 4.43Å
1366A90.8Very high89.7Confident11 Ų1147.3 Ų47.39%0.09126%0.255CS..G310 helixtrans-51.8-37176.300000113.2L1346 K1347 Q1350 E1368 Y1369L1346-A1366 HydrophobicContact CD1-CB 3.66Å; L1346-A1366 HydrophobicContact CD2-CB 4.26Å; L1346-A1366 HydrophobicContact CG-CB 3.96Å; K1347-A1366 WeakPolarHBondContact O-CB 3.4Å; Q1350-A1366 VanDerWaalsContact O-CB 3.3Å; Q1350-A1366 WeakPolarHBondContact O-CB 3.46Å; Q1350-A1366 PolarHBondContact O-N 3.13Å; Q1350-A1366 VanDerWaalsContact O-N 3.11Å; A1366-E1368 PolarHBondContact O-N 3.14Å; A1366-Y1369 PolarHBondContact O-N 3.46Å
1367S90.2Very high89.6Confident104 Ų10453.8 Ų53.873%0.72728%0.283SS*.G310 helixtrans-57.7-21.7178.963.90000114.6K1365 Y1369K1365-S1367 PolarHBondContact O-N 3.46Å; K1365-S1367 VanDerWaalsContact O-N 3.15Å; S1367-Y1369 VanDerWaalsContact C-N 3.33Å
1368E91.3Very high89.5Confident86 Ų8653.1 Ų53.140%0.40229%0.285SS..G310 helixtrans-78.8-15.8176.1-76.1-82160.800113.1T1364 K1365 A1366 P1370 R1425T1364-E1368 HydrophobicContact CG2-CB 3.7Å; T1364-E1368 HydrophobicContact CG2-CG 3.92Å; K1365-E1368 WeakPolarHBondContact O-CB 3.33Å; K1365-E1368 PolarHBondContact O-N 3.29Å; A1366-E1368 PolarHBondContact O-N 3.14Å; E1368-P1370 VanDerWaalsContact C-CD 3.47Å; E1368-P1370 WeakPolarHBondContact O-CD 3.28Å; E1368-R1425 HydrophobicContact CB-CG 3.88Å; E1368-R1425 WeakPolarHBondContact O-CD 3.16Å; E1368-R1425 PolarHBondContact O-NE 3.28Å; E1368-R1425 IonicContact OE2-NE 2.78Å
1369Y91.2Very high89.6Confident6 Ų650.7 Ų50.72%0.02428%0.276CS..SBendtrans-10480.7-178-67.9-87.8000111.3I1303 S1311 V1352 T1364 A1366 S1367 V1371 T1381 R1425I1303-Y1369 HydrophobicContact CD1-CD1 3.65Å; I1303-Y1369 HydrophobicContact CD1-CD2 4.48Å; I1303-Y1369 HydrophobicContact CD1-CE1 3.94Å; I1303-Y1369 HydrophobicContact CD1-CG 3.94Å; S1311-Y1369 WeakPolarHBondContact OG-CE1 3.41Å; V1352-Y1369 HydrophobicContact CB-CD2 4.21Å; V1352-Y1369 HydrophobicContact CB-CE2 3.52Å; V1352-Y1369 HydrophobicContact CG1-CE2 4.17Å; V1352-Y1369 HydrophobicContact CG2-CD2 3.54Å; V1352-Y1369 HydrophobicContact CG2-CE2 3.39Å; V1352-Y1369 HydrophobicContact CG2-CG 4.24Å; T1364-Y1369 HydrophobicContact CG2-CD2 4.4Å; T1364-Y1369 HydrophobicContact CG2-CE2 3.57Å; A1366-Y1369 PolarHBondContact O-N 3.46Å; S1367-Y1369 VanDerWaalsContact C-N 3.33Å; Y1369-V1371 PolarHBondContact O-N 3.19Å; Y1369-T1381 VanDerWaalsContact CE1-OG1 3.3Å; Y1369-T1381 WeakPolarHBondContact CE1-OG1 3.27Å; Y1369-T1381 PolarHBondContact OH-OG1 3.1Å; Y1369-R1425 HydrophobicContact CD1-CG 4.4Å; Y1369-R1425 HydrophobicContact CD2-CG 4.43Å; Y1369-R1425 HydrophobicContact CE1-CG 3.89Å; Y1369-R1425 HydrophobicContact CE2-CG 3.93Å
1370P88.6Confident89.9Confident53 Ų5354.4 Ų54.434%0.34429%0.292SS..  trans-63.7137.8-178.126.8-36.3000111.6E1368 K1372 I1379E1368-P1370 VanDerWaalsContact C-CD 3.47Å; E1368-P1370 WeakPolarHBondContact O-CD 3.28Å; P1370-K1372 HydrophobicContact CB-CG 4.48Å; P1370-K1372 HydrophobicContact CG-CG 4.26Å; P1370-K1372 WeakPolarHBondContact O-CG 3.17Å; P1370-K1372 PolarHBondContact O-N 2.93Å; P1370-K1372 VanDerWaalsContact O-N 3.08Å; P1370-I1379 HydrophobicContact CG-CD1 4.12Å
1371V89.9Confident89.8Confident82 Ų8252.9 Ų52.950%0.49729%0.286SS..  trans-63.2106.2171-177.50000108.8T1301 T1313 Y1369T1301-V1371 HydrophobicContact CG2-CG2 4.13Å; T1313-V1371 HydrophobicContact CG2-CG2 4.27Å; T1313-V1371 WeakPolarHBondContact O-CA 3.48Å; Y1369-V1371 PolarHBondContact O-N 3.19Å
1372K83.5Confident89.7Confident154 Ų15452.9 Ų52.967%0.6729%0.286SS*.  trans-109.24.6-174.4-72.9-85.8-179.7-179.10113.6T1313 P1370T1313-K1372 PolarHBondContact O-N 2.89Å; T1313-K1372 VanDerWaalsContact O-N 3.1Å; P1370-K1372 HydrophobicContact CB-CG 4.48Å; P1370-K1372 HydrophobicContact CG-CG 4.26Å; P1370-K1372 WeakPolarHBondContact O-CG 3.17Å; P1370-K1372 PolarHBondContact O-N 2.93Å; P1370-K1372 VanDerWaalsContact O-N 3.08Å
1373G84.2Confident89.5Confident32 Ų3255 Ų5533%0.3330%0.297SS..  trans86.5150.8-176.400000113.5
1374R90.4Very high89.2Confident117 Ų11756 Ų5644%0.44231%0.306SS..THydrogen-bonded Turntrans-66.5152.7177.674.1179.9-171-30.54.4111.7F1314 V1318 G1376F1314-R1374 HydrophobicContact CB-CB 4.27Å; F1314-R1374 HydrophobicContact CD1-CB 3.91Å; F1314-R1374 HydrophobicContact CD2-CB 3.82Å; F1314-R1374 HydrophobicContact CE1-CB 4.18Å; F1314-R1374 HydrophobicContact CE2-CB 4.11Å; F1314-R1374 HydrophobicContact CG-CB 3.72Å; F1314-R1374 HydrophobicContact CZ-CB 4.28Å; V1318-R1374 HydrophobicContact CG2-CB 4.19Å; V1318-R1374 HydrophobicContact CG2-CG 4.07Å; V1318-R1374 PolarHBondContact O-NE 3.2Å; R1374-G1376 VanDerWaalsContact C-N 3.34Å
1375G89.2Confident88.8Confident22 Ų2261.8 Ų61.823%0.22733%0.331CS..THydrogen-bonded Turntrans80.97173.900000115.2G1331 R1333G1331-G1375 PolarHBondContact O-N 2.7Å; R1333-G1375 WeakPolarHBondContact CB-O 3.32Å
1376G89.3Confident88.4Confident30 Ų3065.1 Ų65.131%0.30935%0.348SS..SBendtrans-74.1166.8172.400000113.4R1333 R1374 G1378R1333-G1376 PolarHBondContact N-O 3.21Å; R1374-G1376 VanDerWaalsContact C-N 3.34Å; G1376-G1378 PolarHBondContact O-N 3.13Å
1377K87.9Confident88.1Confident139 Ų13970.8 Ų70.860%0.60437%0.371SS*.  trans-730.6176.5-70.2-169176.6-172.40114.6R1333 R1335R1333-K1377 HydrophobicContact CB-CG 4.46Å; R1333-K1377 WeakPolarHBondContact O-CA 3.22Å; R1335-K1377 PolarHBondContact NH1-O 3.4Å; R1335-K1377 PolarHBondContact NH2-O 3.07Å; R1335-K1377 VanDerWaalsContact NH2-O 3.07Å
1378G86.8Confident87.9Confident20 Ų2065.9 Ų65.921%0.20634%0.337CS..  trans69.5161.9-173.100000114.5S1311 G1376S1311-G1378 CarbonylContact O-C 3.58Å; S1311-G1378 WeakPolarHBondContact O-CA 3.25Å; G1376-G1378 PolarHBondContact O-N 3.13Å
1379I91.3Very high87.6Confident41 Ų4162 Ų6221%0.2132%0.32CS..EExtended strand (participates in β ladder)trans-106152173.963-171.7000109.6Y1310 S1311 P1370 T1381Y1310-I1379 CarbonylContact C-O 3.52Å; Y1310-I1379 WeakPolarHBondContact CA-O 3.44Å; S1311-I1379 PolarHBondContact N-O 3.43Å; S1311-I1379 PolarHBondContact O-N 2.93Å; S1311-I1379 PolarHBondContact OG-O 3.49Å; P1370-I1379 HydrophobicContact CG-CD1 4.12Å; I1379-T1381 PolarHBondContact O-N 3.14Å
1380K91.3Very high87.6Confident79 Ų7962.9 Ų62.934%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-61.7124.7-179.6-162.1164.8-177.7172.80110.3Y1310 A1382 N1383 R1425Y1310-K1380 HydrophobicContact CD1-CB 4.39Å; Y1310-K1380 HydrophobicContact CE1-CB 4.32Å; K1380-A1382 VanDerWaalsContact CE-O 3.26Å; K1380-A1382 WeakPolarHBondContact CE-O 3.17Å; K1380-A1382 WeakPolarHBondContact CG-O 3.23Å; K1380-N1383 WeakPolarHBondContact CE-OD1 3.48Å; K1380-N1383 PolarHBondContact NZ-OD1 2.91Å; K1380-R1425 WeakPolarHBondContact O-CB 3.27Å; K1380-R1425 PolarHBondContact O-NH1 3.37Å
1381T89.9Confident87.7Confident0 Ų060.4 Ų60.40%031%0.31CS..  trans-107.5-20.1-179.7-169.70000112.9G1309 V1354 K1362 Y1369 I1379 L1391 R1425G1309-T1381 VanDerWaalsContact C-CG2 3.41Å; G1309-T1381 VanDerWaalsContact O-CG2 3.27Å; G1309-T1381 WeakPolarHBondContact O-CG2 3.42Å; G1309-T1381 PolarHBondContact O-N 3.32Å; V1354-T1381 HydrophobicContact CG1-CG2 4.47Å; K1362-T1381 WeakPolarHBondContact CE-O 3.33Å; K1362-T1381 PolarHBondContact NZ-O 3.24Å; Y1369-T1381 VanDerWaalsContact CE1-OG1 3.3Å; Y1369-T1381 WeakPolarHBondContact CE1-OG1 3.27Å; Y1369-T1381 PolarHBondContact OH-OG1 3.1Å; I1379-T1381 PolarHBondContact O-N 3.14Å; T1381-L1391 HydrophobicContact CG2-CD1 3.56Å; T1381-R1425 CarbonylContact C-O 3.53Å; T1381-R1425 CarbonylContact O-C 3.56Å
1382A88.2Confident87.6Confident2 Ų257.6 Ų57.62%0.01730%0.295CS..SBendtrans-150.7153.4173.200000109.7G1309 V1354 K1380 V1384 L1391G1309-A1382 PolarHBondContact O-N 2.99Å; V1354-A1382 HydrophobicContact CG2-CB 4.48Å; K1380-A1382 VanDerWaalsContact CE-O 3.26Å; K1380-A1382 WeakPolarHBondContact CE-O 3.17Å; K1380-A1382 WeakPolarHBondContact CG-O 3.23Å; A1382-V1384 PolarHBondContact O-N 3.46Å; A1382-L1391 HydrophobicContact CB-CD2 3.87Å; A1382-L1391 HydrophobicContact CB-CG 4.47Å
1383N86.5Confident87.8Confident45 Ų4550.6 Ų50.624%0.24127%0.268CS..  trans-88.988170.3-157.710.7000109.7K1380 K1385 N1388 T1427K1380-N1383 WeakPolarHBondContact CE-OD1 3.48Å; K1380-N1383 PolarHBondContact NZ-OD1 2.91Å; N1383-K1385 PolarHBondContact O-N 3.15Å; N1383-N1388 PolarHBondContact O-ND2 3.06Å; N1383-N1388 PolarHBondContact O-OD1 2.85Å; N1383-T1427 PolarHBondContact N-O 3.45Å; N1383-T1427 VanDerWaalsContact N-O 3.07Å
1384V86.6Confident88.2Confident48 Ų4849.4 Ų49.429%0.29125%0.253SS..  trans-64.8115.9175.6176.90000109D1308 A1382 P1390D1308-V1384 WeakPolarHBondContact O-CG2 3.32Å; A1382-V1384 PolarHBondContact O-N 3.46Å; V1384-P1390 HydrophobicContact CG1-CB 4.37Å
1385K85.3Confident88.1Confident122 Ų12245.1 Ų45.153%0.5324%0.24SC..  trans-129.7167.4173.6-68.6-173.7174.7-173.40108N1383 K1387 N1388 G1389N1383-K1385 PolarHBondContact O-N 3.15Å; K1385-K1387 PolarHBondContact O-N 3.31Å; K1385-K1387 VanDerWaalsContact O-N 3.09Å; K1385-N1388 WeakPolarHBondContact CA-OD1 3.24Å; K1385-N1388 PolarHBondContact N-OD1 3.49Å; K1385-N1388 PolarHBondContact O-N 3.31Å; K1385-N1388 PolarHBondContact O-OD1 3.23Å; K1385-G1389 PolarHBondContact O-N 3.06Å
1386E83.1Confident88.2Confident174 Ų17444.7 Ų44.781%0.81323%0.233SC*.THydrogen-bonded Turntrans-56.7-29.8175.7-162179.3-176.800112.9K1358K1358-E1386 WeakPolarHBondContact CE-O 3.45Å; K1358-E1386 PolarHBondContact NZ-O 2.8Å
1387K85.1Confident88.3Confident131 Ų13143.2 Ų43.257%0.5722%0.218SC*.THydrogen-bonded Turntrans-65-45.4179.8-178.9177.4178179.10114K1358 Y1360 K1385 L1428K1358-K1387 WeakPolarHBondContact CD-O 3.47Å; Y1360-K1387 HydrophobicContact CE2-CG 4.49Å; Y1360-K1387 WeakPolarHBondContact CE2-O 3.29Å; Y1360-K1387 WeakPolarHBondContact OH-CE 3.39Å; K1385-K1387 PolarHBondContact O-N 3.31Å; K1385-K1387 VanDerWaalsContact O-N 3.09Å; K1387-L1428 HydrophobicContact CD-CD2 4.25Å
1388N85.4Confident88.2Confident0 Ų039.3 Ų39.30%021%0.206CC..THydrogen-bonded Turntrans-97.2-23.9-178.456.7-32.7000112.4T1356 K1358 Y1360 N1383 K1385 L1428T1356-N1388 WeakPolarHBondContact CB-O 3.31Å; T1356-N1388 HydrophobicContact CG2-CB 4.01Å; T1356-N1388 PolarHBondContact OG1-O 2.74Å; K1358-N1388 VanDerWaalsContact CB-O 3.22Å; K1358-N1388 WeakPolarHBondContact CB-O 3.49Å; K1358-N1388 WeakPolarHBondContact CG-O 3.35Å; K1358-N1388 PolarHBondContact N-O 3.08Å; Y1360-N1388 HydrophobicContact CD2-CB 3.84Å; Y1360-N1388 HydrophobicContact CG-CB 3.92Å; N1383-N1388 PolarHBondContact O-ND2 3.06Å; N1383-N1388 PolarHBondContact O-OD1 2.85Å; K1385-N1388 WeakPolarHBondContact CA-OD1 3.24Å; K1385-N1388 PolarHBondContact N-OD1 3.49Å; K1385-N1388 PolarHBondContact O-N 3.31Å; K1385-N1388 PolarHBondContact O-OD1 3.23Å; N1388-L1428 HydrophobicContact CB-CD1 3.94Å; N1388-L1428 HydrophobicContact CB-CG 4.05Å; N1388-L1428 VanDerWaalsContact CG-CD1 3.47Å; N1388-L1428 WeakPolarHBondContact OD1-CD1 3.4Å
1389G86.6Confident88Confident5 Ų538.6 Ų38.65%0.05220%0.199CC..  trans73.3176.7-172.800000112.4K1385K1385-G1389 PolarHBondContact O-N 3.06Å
1390P90.7Very high87.7Confident24 Ų2442 Ų4216%0.15622%0.217CC..SBendtrans-66170.4176.129.6-34.1000111.6H1307 T1356 E1357 V1384H1307-P1390 WeakPolarHBondContact CE1-CB 3.41Å; H1307-P1390 VanDerWaalsContact CE1-CG 3.45Å; H1307-P1390 WeakPolarHBondContact CE1-CG 3.49Å; H1307-P1390 VanDerWaalsContact NE2-CB 3.31Å; H1307-P1390 WeakPolarHBondContact NE2-CB 3.34Å; H1307-P1390 WeakPolarHBondContact NE2-CG 3.29Å; H1307-P1390 VanDerWaalsContact O-CB 3.3Å; H1307-P1390 WeakPolarHBondContact O-CB 3.48Å; T1356-P1390 CarbonylContact C-O 3.51Å; T1356-P1390 WeakPolarHBondContact CA-O 3.41Å; T1356-P1390 VanDerWaalsContact CB-O 3.26Å; T1356-P1390 WeakPolarHBondContact CB-O 3.37Å; E1357-P1390 HydrophobicContact CG-CG 4.08Å; E1357-P1390 PolarHBondContact N-O 3.49Å; V1384-P1390 HydrophobicContact CG1-CB 4.37Å
1391L91.4Very high87.3Confident1 Ų139.5 Ų39.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-72131.7177-67.4-170.7000111H1307 I1341 V1354 T1356 T1381 A1382H1307-L1391 PolarHBondContact O-N 2.96Å; I1341-L1391 HydrophobicContact CD1-CB 3.87Å; I1341-L1391 HydrophobicContact CD1-CD1 4.3Å; I1341-L1391 HydrophobicContact CG1-CB 4.09Å; V1354-L1391 HydrophobicContact CB-CD1 4.29Å; V1354-L1391 HydrophobicContact CB-CD2 3.96Å; V1354-L1391 HydrophobicContact CG1-CD1 4.18Å; V1354-L1391 HydrophobicContact CG2-CD2 4.37Å; T1356-L1391 HydrophobicContact CG2-CD2 3.76Å; T1381-L1391 HydrophobicContact CG2-CD1 3.56Å; A1382-L1391 HydrophobicContact CB-CD2 3.87Å; A1382-L1391 HydrophobicContact CB-CG 4.47Å
1392A86.7Confident87Confident23 Ų2339.9 Ų39.919%0.1921%0.209CC..EExtended strand (participates in β ladder)trans-87.9-29.117000000111.6I1355 E1357 V1441I1355-A1392 PolarHBondContact O-N 3.49Å; E1357-A1392 HydrophobicContact CG-CB 4.19Å; A1392-V1441 HydrophobicContact CB-CB 4.21Å; A1392-V1441 HydrophobicContact CB-CG1 4.01Å
1393G87.5Confident86.8Confident8 Ų839.8 Ų39.88%0.08221%0.208CC..EExtended strand (participates in β ladder)trans-168.7162176.700000113.3I1341 I1355I1341-G1393 VanDerWaalsContact CD1-C 3.45Å; I1355-G1393 PolarHBondContact N-O 3.14Å; I1355-G1393 VanDerWaalsContact N-O 3.14Å; I1355-G1393 PolarHBondContact O-N 2.99Å
1394L92Very high86.5Confident6 Ų638.2 Ų38.23%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-134.8130.4174179.7150.8000108.8I1303 I1341 V1352 L1353 V1354 M1444I1303-L1394 HydrophobicContact CD1-CD1 4.23Å; I1303-L1394 HydrophobicContact CD1-CD2 4.36Å; I1303-L1394 HydrophobicContact CG1-CD1 4.45Å; I1303-L1394 HydrophobicContact CG1-CD2 4.18Å; I1303-L1394 HydrophobicContact CG2-CD2 3.76Å; I1341-L1394 HydrophobicContact CD1-CB 3.86Å; V1352-L1394 HydrophobicContact CG1-CD1 3.76Å; V1352-L1394 HydrophobicContact CG1-CD2 4.09Å; V1352-L1394 HydrophobicContact CG1-CG 3.73Å; L1353-L1394 WeakPolarHBondContact O-CA 3.41Å; V1354-L1394 HydrophobicContact CG1-CB 4.25Å; V1354-L1394 HydrophobicContact CG1-CD1 3.77Å; V1354-L1394 HydrophobicContact CG1-CG 3.96Å; L1394-M1444 VanDerWaalsContact C-CE 3.48Å
1395T89.4Confident86.3Confident27 Ų2735.9 Ų35.917%0.16619%0.186CC..EExtended strand (participates in β ladder)trans-144.4179.4172.8-164.90000110.6V1352 L1353 V1397 M1444 I1446V1352-T1395 CarbonylContact C-O 3.5Å; V1352-T1395 WeakPolarHBondContact CA-O 3.46Å; L1353-T1395 HydrophobicContact CB-CG2 4.11Å; L1353-T1395 HydrophobicContact CD2-CG2 4.25Å; L1353-T1395 PolarHBondContact N-O 3.34Å; L1353-T1395 PolarHBondContact O-N 3.13Å; T1395-V1397 HydrophobicContact CG2-CG1 4.32Å; T1395-M1444 HydrophobicContact CG2-CE 3.76Å; T1395-M1444 HydrophobicContact CG2-SD 3.79Å; T1395-I1446 HydrophobicContact CG2-CD1 3.82Å; T1395-I1446 HydrophobicContact CG2-CG1 4.17Å; T1395-I1446 WeakPolarHBondContact OG1-CD1 3.41Å
1396T91.7Very high85.9Confident13 Ų1330.3 Ų30.38%0.0816%0.162CC..EExtended strand (participates in β ladder)trans-117.8140.6174.7490000110.1I1303 A1344 V1345 L1346 Q1350 E1351 V1352 I1446I1303-T1396 HydrophobicContact CG2-CG2 4.15Å; A1344-T1396 HydrophobicContact CB-CG2 3.95Å; V1345-T1396 WeakPolarHBondContact O-CB 3.14Å; V1345-T1396 WeakPolarHBondContact O-CG2 3.18Å; V1345-T1396 PolarHBondContact O-OG1 2.95Å; L1346-T1396 HydrophobicContact CB-CG2 4.28Å; L1346-T1396 HydrophobicContact CD1-CG2 3.58Å; Q1350-T1396 PolarHBondContact OE1-OG1 2.85Å; E1351-T1396 CarbonylContact O-C 3.14Å; E1351-T1396 WeakPolarHBondContact O-CA 3.28Å; V1352-T1396 HydrophobicContact CG2-CG2 4.32Å; T1396-I1446 WeakPolarHBondContact O-CD1 3.4Å
1397V90.5Very high85.9Confident0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-137.4148.9-177.5-64.90000109.2Q1350 E1351 L1353 R1363 T1395 I1403 A1417 I1446Q1350-V1397 CarbonylContact C-O 3.53Å; Q1350-V1397 WeakPolarHBondContact CA-O 3.4Å; E1351-V1397 HydrophobicContact CB-CG2 4.49Å; E1351-V1397 PolarHBondContact N-O 2.74Å; E1351-V1397 PolarHBondContact O-N 3.39Å; L1353-V1397 HydrophobicContact CB-CG1 4.19Å; L1353-V1397 HydrophobicContact CB-CG2 3.99Å; L1353-V1397 HydrophobicContact CD2-CG1 4.06Å; R1363-V1397 HydrophobicContact CG-CG2 4.19Å; T1395-V1397 HydrophobicContact CG2-CG1 4.32Å; V1397-I1403 HydrophobicContact CG1-CD1 3.63Å; V1397-A1417 HydrophobicContact CB-CB 4.29Å; V1397-A1417 HydrophobicContact CG1-CB 4.43Å; V1397-A1417 HydrophobicContact CG2-CB 4.36Å; V1397-I1446 HydrophobicContact CG1-CD1 3.88Å; V1397-I1446 HydrophobicContact CG1-CG1 4.2Å
1398T87.2Confident85.5Confident56 Ų5618.5 Ų18.534%0.34411%0.11SC..  trans-82.9-25.2169.461.60000111.4Q1350 E1401Q1350-T1398 HydrophobicContact CG-CG2 3.94Å; T1398-E1401 WeakPolarHBondContact CB-OE1 3.47Å; T1398-E1401 WeakPolarHBondContact CG2-OE1 3.37Å; T1398-E1401 VanDerWaalsContact N-CD 3.3Å; T1398-E1401 PolarHBondContact N-OE1 2.83Å; T1398-E1401 PolarHBondContact N-OE2 3.18Å; T1398-E1401 PolarHBondContact OG1-OE1 2.96Å; T1398-E1401 PolarHBondContact OG1-OE2 3.34Å; T1398-E1401 VanDerWaalsContact OG1-OE2 3.14Å
1399G82Confident84.9Confident6 Ų626 Ų266%0.06214%0.143CC..SBendtrans108.4-16.1-179.600000113.3E1401 G1418G1399-E1401 PolarHBondContact N-OE2 3.44Å; G1399-G1418 VanDerWaalsContact O-CA 3.22Å; G1399-G1418 WeakPolarHBondContact O-CA 3.42Å; G1399-G1418 PolarHBondContact O-N 3.16Å
1400D84.3Confident83.9Confident111 Ų11126.5 Ų26.559%0.59415%0.149SC*.SBendtrans-87.5-13.9176.8-70-34.4000112.4N1416 K1449D1400-N1416 PolarHBondContact O-ND2 3.09Å; D1400-K1449 VanDerWaalsContact O-CB 3.25Å; D1400-K1449 WeakPolarHBondContact O-CB 3.41Å; D1400-K1449 WeakPolarHBondContact O-CD 3.22Å; D1400-K1449 WeakPolarHBondContact O-CG 2.97Å
1401E83.7Confident83.1Confident28 Ų2827.3 Ų27.313%0.13115%0.153CC..SBendtrans-76.7161.5178.4-45.691.6162.300112.4T1398 G1399 N1416 A1417 I1446T1398-E1401 WeakPolarHBondContact CB-OE1 3.47Å; T1398-E1401 WeakPolarHBondContact CG2-OE1 3.37Å; T1398-E1401 VanDerWaalsContact N-CD 3.3Å; T1398-E1401 PolarHBondContact N-OE1 2.83Å; T1398-E1401 PolarHBondContact N-OE2 3.18Å; T1398-E1401 PolarHBondContact OG1-OE1 2.96Å; T1398-E1401 PolarHBondContact OG1-OE2 3.34Å; T1398-E1401 VanDerWaalsContact OG1-OE2 3.14Å; G1399-E1401 PolarHBondContact N-OE2 3.44Å; E1401-N1416 PolarHBondContact O-ND2 2.91Å; E1401-A1417 WeakPolarHBondContact O-CB 3.47Å; E1401-A1417 PolarHBondContact O-N 3.41Å; E1401-I1446 HydrophobicContact CB-CG2 3.52Å; E1401-I1446 HydrophobicContact CG-CG2 3.7Å
1402D82.8Confident82.2Confident7 Ų728.7 Ų28.74%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-94.3144.3166.9-86.70.5000110.7R1414 N1416 V1447D1402-R1414 HydrophobicContact CB-CG 3.9Å; D1402-R1414 IonicContact OD2-CZ 3.19Å; D1402-R1414 IonicContact OD2-NE 3.63Å; D1402-R1414 PolarHBondContact OD2-NE 3.21Å; D1402-R1414 IonicContact OD2-NH2 3.63Å; D1402-N1416 WeakPolarHBondContact OD1-CA 3.22Å; D1402-N1416 WeakPolarHBondContact OD1-CB 3.11Å; D1402-N1416 PolarHBondContact OD1-N 3.29Å; D1402-N1416 PolarHBondContact OD1-ND2 2.97Å; D1402-V1447 HydrophobicContact CB-CG2 3.71Å; D1402-V1447 PolarHBondContact N-O 2.91Å; D1402-V1447 PolarHBondContact O-N 3.43Å
1403I84.3Confident81.9Confident0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-109123177-51.8-61.4000108.8L1353 I1355 V1397 L1405 R1414 F1415 A1417 M1444 I1446L1353-I1403 HydrophobicContact CD2-CD1 3.61Å; L1353-I1403 HydrophobicContact CD2-CG1 3.7Å; L1353-I1403 HydrophobicContact CD2-CG2 4.07Å; I1355-I1403 HydrophobicContact CD1-CG2 4.24Å; V1397-I1403 HydrophobicContact CG1-CD1 3.63Å; I1403-L1405 HydrophobicContact CG2-CG 4.42Å; I1403-R1414 CarbonylContact O-C 3.59Å; I1403-R1414 WeakPolarHBondContact O-CA 3.32Å; I1403-F1415 HydrophobicContact CB-CD2 4.4Å; I1403-F1415 HydrophobicContact CB-CE1 4.24Å; I1403-F1415 HydrophobicContact CB-CE2 3.81Å; I1403-F1415 HydrophobicContact CB-CZ 3.71Å; I1403-F1415 HydrophobicContact CG1-CE2 4.3Å; I1403-F1415 HydrophobicContact CG2-CE1 4.29Å; I1403-F1415 HydrophobicContact CG2-CE2 4.28Å; I1403-F1415 HydrophobicContact CG2-CZ 3.74Å; I1403-F1415 PolarHBondContact N-O 2.94Å; I1403-F1415 WeakPolarHBondContact O-CD1 3.27Å; I1403-F1415 WeakPolarHBondContact O-CE1 3.45Å; I1403-F1415 PolarHBondContact O-N 3.5Å; I1403-A1417 HydrophobicContact CD1-CB 4.01Å; I1403-A1417 HydrophobicContact CG1-CB 3.72Å; I1403-M1444 HydrophobicContact CG2-CB 4.46Å; I1403-I1446 HydrophobicContact CD1-CG1 3.95Å
1404L80.8Confident81.5Confident12 Ų1228.8 Ų28.86%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-102109.3177.4-156.1140000108.1L1188 I1406 I1412 I1413 R1414 M1444 A1445L1188-L1404 HydrophobicContact CD1-CD2 4.1Å; L1404-I1406 HydrophobicContact CD2-CD1 3.89Å; L1404-I1406 HydrophobicContact CD2-CG1 3.86Å; L1404-I1412 HydrophobicContact CD1-CG2 4.39Å; L1404-I1412 HydrophobicContact CD2-CG2 3.39Å; L1404-I1412 HydrophobicContact CG-CG2 3.77Å; L1404-I1413 CarbonylContact C-O 3.59Å; L1404-I1413 WeakPolarHBondContact CA-O 3.33Å; L1404-R1414 HydrophobicContact CD1-CB 4.32Å; L1404-M1444 CarbonylContact O-C 3.28Å; L1404-M1444 VanDerWaalsContact O-CA 3.27Å; L1404-M1444 WeakPolarHBondContact O-CA 3.31Å; L1404-A1445 HydrophobicContact CB-CB 4.44Å; L1404-A1445 PolarHBondContact N-O 3Å; L1404-A1445 PolarHBondContact O-N 3.08Å
1405L81Confident81Confident0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-102133.8179.3-89.9-178.3000110.8I1355 I1403 I1412 I1413 F1415 L1432 V1441 M1444I1355-L1405 HydrophobicContact CD1-CD1 4.06Å; I1355-L1405 HydrophobicContact CD1-CD2 3.59Å; I1355-L1405 HydrophobicContact CD1-CG 3.98Å; I1355-L1405 HydrophobicContact CG2-CD1 4.3Å; I1355-L1405 HydrophobicContact CG2-CD2 4.06Å; I1403-L1405 HydrophobicContact CG2-CG 4.42Å; L1405-I1412 CarbonylContact O-C 3.44Å; L1405-I1412 WeakPolarHBondContact O-CA 3.38Å; L1405-I1413 HydrophobicContact CB-CG2 3.63Å; L1405-I1413 PolarHBondContact N-O 3.01Å; L1405-I1413 PolarHBondContact O-N 3.44Å; L1405-F1415 HydrophobicContact CB-CE1 4.05Å; L1405-F1415 HydrophobicContact CD1-CE1 3.52Å; L1405-F1415 HydrophobicContact CD1-CZ 3.66Å; L1405-F1415 HydrophobicContact CG-CE1 3.74Å; L1405-F1415 HydrophobicContact CG-CZ 3.99Å; L1405-L1432 HydrophobicContact CD1-CB 3.89Å; L1405-L1432 HydrophobicContact CD1-CD1 3.91Å; L1405-V1441 HydrophobicContact CD2-CG1 3.53Å; L1405-M1444 HydrophobicContact CD2-CB 3.84Å
1406I78.3Confident80.9Confident5 Ų529.3 Ų29.33%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-123.3134.5-178.8-50.9-179.4000109.4F1184 V1185 L1404 V1411 I1412 V1442 T1443F1184-I1406 HydrophobicContact CB-CG2 4.18Å; F1184-I1406 HydrophobicContact CD2-CG2 4.24Å; V1185-I1406 HydrophobicContact CB-CD1 4.14Å; V1185-I1406 WeakPolarHBondContact O-CD1 3.24Å; L1404-I1406 HydrophobicContact CD2-CD1 3.89Å; L1404-I1406 HydrophobicContact CD2-CG1 3.86Å; I1406-V1411 WeakPolarHBondContact CA-O 3.45Å; I1406-I1412 HydrophobicContact CD1-CD1 4.42Å; I1406-I1412 HydrophobicContact CD1-CG1 4.49Å; I1406-I1412 HydrophobicContact CG1-CG1 4.1Å; I1406-I1412 HydrophobicContact CG1-CG2 4.37Å; I1406-I1412 HydrophobicContact CG2-CG1 4.31Å; I1406-V1442 PolarHBondContact O-N 3.24Å; I1406-T1443 HydrophobicContact CB-CG2 3.81Å; I1406-T1443 HydrophobicContact CD1-CG2 3.92Å; I1406-T1443 HydrophobicContact CG1-CG2 4.12Å; I1406-T1443 PolarHBondContact N-O 3.01Å; I1406-T1443 VanDerWaalsContact N-O 3.11Å; I1406-T1443 PolarHBondContact O-N 3.08Å
1407T82.3Confident80.6Confident0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-98.3165.4174.7700000113.1K1409 G1410 V1411 M1433 M1435 T1439 K1440 V1442T1407-K1409 PolarHBondContact O-N 2.94Å; T1407-K1409 VanDerWaalsContact O-N 3.1Å; T1407-K1409 PolarHBondContact OG1-N 3.33Å; T1407-G1410 PolarHBondContact O-N 3.38Å; T1407-V1411 HydrophobicContact CG2-CB 4.3Å; T1407-V1411 PolarHBondContact N-O 2.78Å; T1407-V1411 WeakPolarHBondContact OG1-CB 3.4Å; T1407-V1411 PolarHBondContact OG1-N 3.1Å; T1407-V1411 VanDerWaalsContact OG1-N 3.16Å; T1407-M1433 HydrophobicContact CG2-CE 3.93Å; T1407-M1433 HydrophobicContact CG2-SD 3.32Å; T1407-M1433 WeakPolarHBondContact CG2-SD 3.41Å; T1407-M1435 HydrophobicContact CG2-CE 3.85Å; T1407-M1435 HydrophobicContact CG2-SD 4.37Å; T1407-T1439 VanDerWaalsContact CB-CG2 3.43Å; T1407-T1439 HydrophobicContact CG2-CG2 3.82Å; T1407-K1440 CarbonylContact C-O 3.59Å; T1407-K1440 WeakPolarHBondContact CA-O 3.24Å; T1407-K1440 WeakPolarHBondContact CB-O 3.37Å; T1407-V1442 WeakPolarHBondContact O-CG2 3.49Å
1408D76.2Confident80.3Confident56 Ų5630.2 Ų30.230%0.29917%0.167SC..THydrogen-bonded Turntrans-64.7-12.1177.960.2-10.6000112.7T1439 K1440 V1442D1408-T1439 VanDerWaalsContact OD1-CA 3.26Å; D1408-T1439 WeakPolarHBondContact OD1-CA 3.23Å; D1408-T1439 WeakPolarHBondContact OD1-CG2 3.34Å; D1408-K1440 VanDerWaalsContact CG-N 3.32Å; D1408-K1440 PolarHBondContact N-O 2.91Å; D1408-K1440 PolarHBondContact OD1-N 2.91Å; D1408-K1440 PolarHBondContact OD2-N 3.49Å; D1408-V1442 VanDerWaalsContact CA-CG2 3.46Å; D1408-V1442 HydrophobicContact CB-CG2 4Å
1409K73.2Confident80.2Confident157 Ų15729.7 Ų29.768%0.68317%0.166SC*.THydrogen-bonded Turntrans-101.214.4171.7-62.9-151.8174.8-159.70114.1T1407 V1411 T1439T1407-K1409 PolarHBondContact O-N 2.94Å; T1407-K1409 VanDerWaalsContact O-N 3.1Å; T1407-K1409 PolarHBondContact OG1-N 3.33Å; K1409-V1411 VanDerWaalsContact C-N 3.27Å; K1409-V1411 PolarHBondContact O-N 3.07Å; K1409-T1439 HydrophobicContact CB-CG2 4.39Å; K1409-T1439 WeakPolarHBondContact CD-OG1 3.26Å; K1409-T1439 HydrophobicContact CG-CG2 4.27Å
1410G65.9Low80.5Confident17 Ų1729.5 Ų29.518%0.17516%0.163CC..  trans71.515.6177.500000114.9T1407 I1412T1407-G1410 PolarHBondContact O-N 3.38Å; G1410-I1412 PolarHBondContact O-N 2.81Å
1411V73.5Confident80.6Confident41 Ų4126.4 Ų26.425%0.24815%0.151CC..EExtended strand (participates in β ladder)trans-78.2119.4174.2-176.60000108.5R1172 I1406 T1407 K1409 M1433R1172-V1411 WeakPolarHBondContact O-CG1 3.13Å; I1406-V1411 WeakPolarHBondContact CA-O 3.45Å; T1407-V1411 HydrophobicContact CG2-CB 4.3Å; T1407-V1411 PolarHBondContact N-O 2.78Å; T1407-V1411 WeakPolarHBondContact OG1-CB 3.4Å; T1407-V1411 PolarHBondContact OG1-N 3.1Å; T1407-V1411 VanDerWaalsContact OG1-N 3.16Å; K1409-V1411 VanDerWaalsContact C-N 3.27Å; K1409-V1411 PolarHBondContact O-N 3.07Å; V1411-M1433 HydrophobicContact CB-CE 4.47Å; V1411-M1433 HydrophobicContact CG1-CE 3.92Å; V1411-M1433 HydrophobicContact CG1-SD 4.32Å
1412I74Confident80.9Confident30 Ų3029.3 Ų29.315%0.15416%0.164CC..EExtended strand (participates in β ladder)trans-105.7133.2179.5-54-176000109.4G1173 V1174 L1404 L1405 I1406 G1410G1173-I1412 CarbonylContact C-O 3.59Å; G1173-I1412 WeakPolarHBondContact CA-O 3.37Å; V1174-I1412 PolarHBondContact N-O 3.23Å; V1174-I1412 PolarHBondContact O-N 3.19Å; L1404-I1412 HydrophobicContact CD1-CG2 4.39Å; L1404-I1412 HydrophobicContact CD2-CG2 3.39Å; L1404-I1412 HydrophobicContact CG-CG2 3.77Å; L1405-I1412 CarbonylContact O-C 3.44Å; L1405-I1412 WeakPolarHBondContact O-CA 3.38Å; I1406-I1412 HydrophobicContact CD1-CD1 4.42Å; I1406-I1412 HydrophobicContact CD1-CG1 4.49Å; I1406-I1412 HydrophobicContact CG1-CG1 4.1Å; I1406-I1412 HydrophobicContact CG1-CG2 4.37Å; I1406-I1412 HydrophobicContact CG2-CG1 4.31Å; G1410-I1412 PolarHBondContact O-N 2.81Å
1413I79.1Confident81.3Confident0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-129.5124.8168.9-167.9177.4000109.8L1404 L1405 F1415 M1433L1404-I1413 CarbonylContact C-O 3.59Å; L1404-I1413 WeakPolarHBondContact CA-O 3.33Å; L1405-I1413 HydrophobicContact CB-CG2 3.63Å; L1405-I1413 PolarHBondContact N-O 3.01Å; L1405-I1413 PolarHBondContact O-N 3.44Å; I1413-F1415 HydrophobicContact CD1-CD1 4.42Å; I1413-F1415 HydrophobicContact CG1-CD1 4.2Å; I1413-F1415 HydrophobicContact CG2-CD1 3.94Å; I1413-F1415 HydrophobicContact CG2-CE1 3.98Å; I1413-M1433 HydrophobicContact CB-CE 3.66Å; I1413-M1433 HydrophobicContact CG2-CB 4.48Å; I1413-M1433 HydrophobicContact CG2-CE 3.2Å
1414R78.8Confident81.4Confident33 Ų3332.6 Ų32.613%0.12519%0.19CC..EExtended strand (participates in β ladder)trans-98.1125.4168.3-177.7175.4175172.79.9108.1F1164 Q1167 D1402 I1403 L1404 D1448F1164-R1414 PolarHBondContact O-NH1 3.49Å; Q1167-R1414 CarbonylContact C-O 3.6Å; Q1167-R1414 WeakPolarHBondContact CB-O 3.18Å; Q1167-R1414 PolarHBondContact N-O 2.8Å; D1402-R1414 HydrophobicContact CB-CG 3.9Å; D1402-R1414 IonicContact OD2-CZ 3.19Å; D1402-R1414 IonicContact OD2-NE 3.63Å; D1402-R1414 PolarHBondContact OD2-NE 3.21Å; D1402-R1414 IonicContact OD2-NH2 3.63Å; I1403-R1414 CarbonylContact O-C 3.59Å; I1403-R1414 WeakPolarHBondContact O-CA 3.32Å; L1404-R1414 HydrophobicContact CD1-CB 4.32Å; R1414-D1448 PolarHBondContact NH2-O 2.99Å
1415F82.9Confident81.7Confident0 Ų034.9 Ų34.90%020%0.198CC..EExtended strand (participates in β ladder)trans-146.1146.4175.658.1-84.1000110.1R1169 I1403 L1405 I1413 A1417 V1420 L1432R1169-F1415 HydrophobicContact CB-CB 4.24Å; R1169-F1415 HydrophobicContact CG-CB 4.28Å; R1169-F1415 HydrophobicContact CG-CD2 3.99Å; R1169-F1415 HydrophobicContact CG-CG 4.15Å; I1403-F1415 HydrophobicContact CB-CD2 4.4Å; I1403-F1415 HydrophobicContact CB-CE1 4.24Å; I1403-F1415 HydrophobicContact CB-CE2 3.81Å; I1403-F1415 HydrophobicContact CB-CZ 3.71Å; I1403-F1415 HydrophobicContact CG1-CE2 4.3Å; I1403-F1415 HydrophobicContact CG2-CE1 4.29Å; I1403-F1415 HydrophobicContact CG2-CE2 4.28Å; I1403-F1415 HydrophobicContact CG2-CZ 3.74Å; I1403-F1415 PolarHBondContact N-O 2.94Å; I1403-F1415 WeakPolarHBondContact O-CD1 3.27Å; I1403-F1415 WeakPolarHBondContact O-CE1 3.45Å; I1403-F1415 PolarHBondContact O-N 3.5Å; L1405-F1415 HydrophobicContact CB-CE1 4.05Å; L1405-F1415 HydrophobicContact CD1-CE1 3.52Å; L1405-F1415 HydrophobicContact CD1-CZ 3.66Å; L1405-F1415 HydrophobicContact CG-CE1 3.74Å; L1405-F1415 HydrophobicContact CG-CZ 3.99Å; I1413-F1415 HydrophobicContact CD1-CD1 4.42Å; I1413-F1415 HydrophobicContact CG1-CD1 4.2Å; I1413-F1415 HydrophobicContact CG2-CD1 3.94Å; I1413-F1415 HydrophobicContact CG2-CE1 3.98Å; F1415-A1417 PolarHBondContact O-N 3.42Å; F1415-V1420 HydrophobicContact CD2-CG2 4.11Å; F1415-V1420 HydrophobicContact CE2-CG2 3.54Å; F1415-L1432 HydrophobicContact CE2-CD1 4.39Å; F1415-L1432 HydrophobicContact CE2-CD2 4.19Å; F1415-L1432 HydrophobicContact CZ-CB 4.24Å; F1415-L1432 HydrophobicContact CZ-CD1 3.97Å; F1415-L1432 HydrophobicContact CZ-CD2 4.43Å; F1415-L1432 HydrophobicContact CZ-CG 4.45Å
1416N85.8Confident82Confident43 Ų4337.7 Ų37.723%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-59.5131.9178.3-174.6-94.2000112.9D1400 E1401 D1402 G1418 S1419D1400-N1416 PolarHBondContact O-ND2 3.09Å; E1401-N1416 PolarHBondContact O-ND2 2.91Å; D1402-N1416 WeakPolarHBondContact OD1-CA 3.22Å; D1402-N1416 WeakPolarHBondContact OD1-CB 3.11Å; D1402-N1416 PolarHBondContact OD1-N 3.29Å; D1402-N1416 PolarHBondContact OD1-ND2 2.97Å; N1416-G1418 PolarHBondContact O-N 2.85Å; N1416-G1418 WeakPolarHBondContact OD1-CA 3.43Å; N1416-G1418 PolarHBondContact OD1-N 3.36Å; N1416-S1419 VanDerWaalsContact O-CB 3.23Å; N1416-S1419 WeakPolarHBondContact O-CB 3.4Å; N1416-S1419 PolarHBondContact O-N 3.34Å; N1416-S1419 PolarHBondContact O-OG 3.35Å; N1416-S1419 PolarHBondContact OD1-N 3.46Å
1417A85.8Confident82.3Confident0 Ų039.9 Ų39.90%024%0.235CC..G310 helixtrans-58.1-39.7178.400000111.4R1363 V1397 E1401 I1403 F1415 S1419 V1420R1363-A1417 WeakPolarHBondContact CD-O 3.33Å; R1363-A1417 PolarHBondContact NE-O 2.83Å; R1363-A1417 VanDerWaalsContact NE-O 3.08Å; V1397-A1417 HydrophobicContact CB-CB 4.29Å; V1397-A1417 HydrophobicContact CG1-CB 4.43Å; V1397-A1417 HydrophobicContact CG2-CB 4.36Å; E1401-A1417 WeakPolarHBondContact O-CB 3.47Å; E1401-A1417 PolarHBondContact O-N 3.41Å; I1403-A1417 HydrophobicContact CD1-CB 4.01Å; I1403-A1417 HydrophobicContact CG1-CB 3.72Å; F1415-A1417 PolarHBondContact O-N 3.42Å; A1417-S1419 PolarHBondContact O-N 3.08Å; A1417-S1419 VanDerWaalsContact O-N 3.12Å; A1417-V1420 WeakPolarHBondContact O-CB 3.21Å; A1417-V1420 PolarHBondContact O-N 3.13Å
1418G84.7Confident82.2Confident33 Ų3342 Ų4234%0.3425%0.246SC..G310 helixtrans-55.1-26.6174.300000113.4R1363 G1399 N1416 V1420R1363-G1418 PolarHBondContact NH2-O 2.92Å; G1399-G1418 VanDerWaalsContact O-CA 3.22Å; G1399-G1418 WeakPolarHBondContact O-CA 3.42Å; G1399-G1418 PolarHBondContact O-N 3.16Å; N1416-G1418 PolarHBondContact O-N 2.85Å; N1416-G1418 WeakPolarHBondContact OD1-CA 3.43Å; N1416-G1418 PolarHBondContact OD1-N 3.36Å; G1418-V1420 VanDerWaalsContact C-N 3.32Å; G1418-V1420 PolarHBondContact O-N 3.36Å
1419S84.5Confident82.5Confident45 Ų4540.2 Ų40.232%0.31524%0.242SC..G310 helixtrans-68.7-27.4173.978.50000112.5R1169 N1416 A1417R1169-S1419 WeakPolarHBondContact CD-OG 3.3Å; R1169-S1419 WeakPolarHBondContact CG-OG 3.13Å; R1169-S1419 PolarHBondContact NH1-O 3.16Å; N1416-S1419 VanDerWaalsContact O-CB 3.23Å; N1416-S1419 WeakPolarHBondContact O-CB 3.4Å; N1416-S1419 PolarHBondContact O-N 3.34Å; N1416-S1419 PolarHBondContact O-OG 3.35Å; N1416-S1419 PolarHBondContact OD1-N 3.46Å; A1417-S1419 PolarHBondContact O-N 3.08Å; A1417-S1419 VanDerWaalsContact O-N 3.12Å
1420V87.9Confident83.2Confident1 Ų134.6 Ų34.61%0.00622%0.22CC..SBendtrans-72.2135.4-177.6-176.80000111.7L1353 R1363 F1415 A1417 G1418 Q1422 V1430 L1432L1353-V1420 HydrophobicContact CD1-CB 4.47Å; L1353-V1420 HydrophobicContact CD1-CG1 4.02Å; L1353-V1420 HydrophobicContact CD1-CG2 4.4Å; R1363-V1420 HydrophobicContact CG-CB 4.08Å; R1363-V1420 HydrophobicContact CG-CG1 4.11Å; R1363-V1420 VanDerWaalsContact CZ-O 3.31Å; R1363-V1420 PolarHBondContact NE-O 2.74Å; R1363-V1420 PolarHBondContact NH2-O 2.85Å; F1415-V1420 HydrophobicContact CD2-CG2 4.11Å; F1415-V1420 HydrophobicContact CE2-CG2 3.54Å; A1417-V1420 WeakPolarHBondContact O-CB 3.21Å; A1417-V1420 PolarHBondContact O-N 3.13Å; G1418-V1420 VanDerWaalsContact C-N 3.32Å; G1418-V1420 PolarHBondContact O-N 3.36Å; V1420-Q1422 PolarHBondContact O-N 3.49Å; V1420-V1430 HydrophobicContact CG1-CG2 4.27Å; V1420-L1432 HydrophobicContact CB-CD2 4.22Å; V1420-L1432 HydrophobicContact CG1-CD2 3.87Å; V1420-L1432 HydrophobicContact CG2-CD2 3.54Å
1421S87Confident84.2Confident47 Ų4739.2 Ų39.233%0.32923%0.232SC..PPolyproline II helixtrans-65.6127.9-177.2-165.40000112.1R1363R1363-S1421 PolarHBondContact N-O 2.91Å; R1363-S1421 VanDerWaalsContact N-O 3.09Å
1422Q90.4Very high84.7Confident88 Ų8837.3 Ų37.341%0.41122%0.221SC..BIsolated β-bridgetrans-78.9122.9170.1-165.4-157.3-55.200109.7E1351 R1363 K1365 V1420E1351-Q1422 WeakPolarHBondContact OE1-CG 3.39Å; E1351-Q1422 PolarHBondContact OE1-OE1 2.9Å; R1363-Q1422 CarbonylContact O-C 3.14Å; R1363-Q1422 VanDerWaalsContact O-CA 3.28Å; R1363-Q1422 WeakPolarHBondContact O-CA 3.25Å; K1365-Q1422 HydrophobicContact CG-CG 4.43Å; V1420-Q1422 PolarHBondContact O-N 3.49Å
1423T90Very high85.1Confident45 Ų4536.1 Ų36.128%0.27622%0.215SC..  trans-145165.4-177.853.20000110.7K1362 R1363 T1364 T1427K1362-T1423 WeakPolarHBondContact CB-OG1 3.24Å; K1362-T1423 WeakPolarHBondContact CD-OG1 3.45Å; R1363-T1423 PolarHBondContact O-N 3.17Å; R1363-T1423 VanDerWaalsContact O-O 3.14Å; T1364-T1423 WeakPolarHBondContact CA-O 3.46Å; T1364-T1423 WeakPolarHBondContact CB-O 3.48Å; T1364-T1423 WeakPolarHBondContact CG2-O 3.35Å; T1364-T1423 PolarHBondContact OG1-O 3.39Å; T1423-T1427 WeakPolarHBondContact CB-OG1 2.96Å; T1423-T1427 PolarHBondContact OG1-OG1 3.21Å
1424G88.1Confident85Confident31 Ų3143.4 Ų43.432%0.3225%0.246SC..  trans-65.4167.4175.700000113.3T1427G1424-T1427 WeakPolarHBondContact O-CG2 3.36Å; G1424-T1427 PolarHBondContact O-OG1 2.69Å
1425R87.4Confident85Confident60 Ų6043 Ų4323%0.22625%0.246CC..THydrogen-bonded Turntrans-57.3-56.2-172.8-71.4-177.9-68129.9-12.5114.3K1362 T1364 E1368 Y1369 K1380 T1381 T1427K1362-R1425 WeakPolarHBondContact CE-O 3.38Å; K1362-R1425 PolarHBondContact NZ-O 2.79Å; T1364-R1425 HydrophobicContact CG2-CG 3.7Å; E1368-R1425 HydrophobicContact CB-CG 3.88Å; E1368-R1425 WeakPolarHBondContact O-CD 3.16Å; E1368-R1425 PolarHBondContact O-NE 3.28Å; E1368-R1425 IonicContact OE2-NE 2.78Å; Y1369-R1425 HydrophobicContact CD1-CG 4.4Å; Y1369-R1425 HydrophobicContact CD2-CG 4.43Å; Y1369-R1425 HydrophobicContact CE1-CG 3.89Å; Y1369-R1425 HydrophobicContact CE2-CG 3.93Å; K1380-R1425 WeakPolarHBondContact O-CB 3.27Å; K1380-R1425 PolarHBondContact O-NH1 3.37Å; T1381-R1425 CarbonylContact C-O 3.53Å; T1381-R1425 CarbonylContact O-C 3.56Å; R1425-T1427 PolarHBondContact O-N 3.27Å
1426A85.4Confident84.5Confident60 Ų6048.6 Ų48.650%0.49627%0.272SS..THydrogen-bonded Turntrans-82.539.6-171.500000113.8
1427T86.1Confident83.8Confident50 Ų5050.2 Ų50.231%0.30730%0.299SS..SBendtrans-109.3170.6179.165.20000111.7K1362 N1383 T1423 G1424 R1425K1362-T1427 WeakPolarHBondContact CD-OG1 3.2Å; N1383-T1427 PolarHBondContact N-O 3.45Å; N1383-T1427 VanDerWaalsContact N-O 3.07Å; T1423-T1427 WeakPolarHBondContact CB-OG1 2.96Å; T1423-T1427 PolarHBondContact OG1-OG1 3.21Å; G1424-T1427 WeakPolarHBondContact O-CG2 3.36Å; G1424-T1427 PolarHBondContact O-OG1 2.69Å; R1425-T1427 PolarHBondContact O-N 3.27Å
1428L80.5Confident83.3Confident45 Ų4557.8 Ų57.824%0.23634%0.34CS..  trans-84.4-32.5-177-167.2102.8000113Y1360 K1387 N1388Y1360-L1428 HydrophobicContact CD1-CD2 3.82Å; Y1360-L1428 HydrophobicContact CE1-CD2 3.89Å; K1387-L1428 HydrophobicContact CD-CD2 4.25Å; N1388-L1428 HydrophobicContact CB-CD1 3.94Å; N1388-L1428 HydrophobicContact CB-CG 4.05Å; N1388-L1428 VanDerWaalsContact CG-CD1 3.47Å; N1388-L1428 WeakPolarHBondContact OD1-CD1 3.4Å
1429G81.9Confident83.1Confident19 Ų1956.9 Ų56.920%0.19633%0.328CS..  trans83-176.4-169.500000114.9G1361G1361-G1429 CarbonylContact O-C 3.57Å; G1361-G1429 WeakPolarHBondContact O-CA 3.4Å
1430V87.3Confident83Confident39 Ų3959.2 Ų59.224%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-106.9155.9-178.6-68.10000110.6Y1360 G1361 V1420 L1432Y1360-V1430 CarbonylContact C-O 3.5Å; Y1360-V1430 VanDerWaalsContact CA-O 3.31Å; Y1360-V1430 WeakPolarHBondContact CA-O 3.09Å; G1361-V1430 PolarHBondContact N-O 2.74Å; G1361-V1430 PolarHBondContact O-N 2.95Å; V1420-V1430 HydrophobicContact CG1-CG2 4.27Å; V1430-L1432 HydrophobicContact CG2-CD2 4.29Å; V1430-L1432 PolarHBondContact O-N 2.97Å
1431R86.8Confident82.8Confident113 Ų11359.4 Ų59.443%0.42633%0.334SS..EExtended strand (participates in β ladder)trans-70.4124.8175.7-162.1175-166.71723.9109.8Y1360 M1433Y1360-R1431 HydrophobicContact CD1-CB 4.48Å; Y1360-R1431 HydrophobicContact CE1-CB 4.32Å; R1431-M1433 WeakPolarHBondContact CG-O 3.41Å; R1431-M1433 PolarHBondContact NE-O 2.88Å
1432L85.1Confident82.3Confident1 Ų160.2 Ų60.21%0.00534%0.336CS..  trans-94.4-45178.5-58.6-175.7000111.3G1170 I1355 G1359 L1405 F1415 V1420 V1430G1170-L1432 PolarHBondContact N-O 3.03Å; I1355-L1432 HydrophobicContact CB-CD1 4.45Å; I1355-L1432 HydrophobicContact CD1-CD1 3.72Å; I1355-L1432 HydrophobicContact CG1-CD1 3.73Å; I1355-L1432 HydrophobicContact CG2-CD1 4.02Å; G1359-L1432 PolarHBondContact O-N 3.33Å; L1405-L1432 HydrophobicContact CD1-CB 3.89Å; L1405-L1432 HydrophobicContact CD1-CD1 3.91Å; F1415-L1432 HydrophobicContact CE2-CD1 4.39Å; F1415-L1432 HydrophobicContact CE2-CD2 4.19Å; F1415-L1432 HydrophobicContact CZ-CB 4.24Å; F1415-L1432 HydrophobicContact CZ-CD1 3.97Å; F1415-L1432 HydrophobicContact CZ-CD2 4.43Å; F1415-L1432 HydrophobicContact CZ-CG 4.45Å; V1420-L1432 HydrophobicContact CB-CD2 4.22Å; V1420-L1432 HydrophobicContact CG1-CD2 3.87Å; V1420-L1432 HydrophobicContact CG2-CD2 3.54Å; V1430-L1432 HydrophobicContact CG2-CD2 4.29Å; V1430-L1432 PolarHBondContact O-N 2.97Å
1433M82Confident81.4Confident6 Ų657.8 Ų57.83%0.0333%0.327CS..SBendtrans-129.1144.4177-177.1-171.6-80.600110.7T1407 V1411 I1413 R1431 M1435T1407-M1433 HydrophobicContact CG2-CE 3.93Å; T1407-M1433 HydrophobicContact CG2-SD 3.32Å; T1407-M1433 WeakPolarHBondContact CG2-SD 3.41Å; V1411-M1433 HydrophobicContact CB-CE 4.47Å; V1411-M1433 HydrophobicContact CG1-CE 3.92Å; V1411-M1433 HydrophobicContact CG1-SD 4.32Å; I1413-M1433 HydrophobicContact CB-CE 3.66Å; I1413-M1433 HydrophobicContact CG2-CB 4.48Å; I1413-M1433 HydrophobicContact CG2-CE 3.2Å; R1431-M1433 WeakPolarHBondContact CG-O 3.41Å; R1431-M1433 PolarHBondContact NE-O 2.88Å; M1433-M1435 HydrophobicContact CB-SD 4.19Å; M1433-M1435 HydrophobicContact CG-SD 4.18Å; M1433-M1435 PolarHBondContact O-N 2.91Å; M1433-M1435 HydrophobicContact SD-SD 3.97Å
1434K77.5Confident81Confident152 Ų15257.2 Ų57.266%0.66132%0.322SS*.  trans-81.596.7169.5-161.5-179.1-176.2-176.40109.6
1435M78.2Confident80.3Confident25 Ų2556.9 Ų56.912%0.12332%0.316CS..  trans-66133.5175-46.9-55.4-75.200111.5K1358 T1407 M1433 T1439 V1441K1358-M1435 VanDerWaalsContact O-CG 3.31Å; K1358-M1435 WeakPolarHBondContact O-CG 3.34Å; T1407-M1435 HydrophobicContact CG2-CE 3.85Å; T1407-M1435 HydrophobicContact CG2-SD 4.37Å; M1433-M1435 HydrophobicContact CB-SD 4.19Å; M1433-M1435 HydrophobicContact CG-SD 4.18Å; M1433-M1435 PolarHBondContact O-N 2.91Å; M1433-M1435 HydrophobicContact SD-SD 3.97Å; M1435-T1439 VanDerWaalsContact CE-C 3.47Å; M1435-T1439 HydrophobicContact CE-CG2 3.81Å; M1435-T1439 WeakPolarHBondContact CE-O 3.3Å; M1435-V1441 HydrophobicContact CE-CG2 3.94Å; M1435-V1441 HydrophobicContact SD-CG2 4.09Å
1436E72.5Confident79.8Confident117 Ų11757.2 Ų57.255%0.54732%0.322SS..  trans-99.1130.7171.3-70.3-171.617300110.4R1172 N1438 T1439R1172-E1436 IonicContact CZ-OE1 3.41Å; R1172-E1436 IonicContact NE-OE1 2.79Å; R1172-E1436 PolarHBondContact NE-OE1 2.77Å; R1172-E1436 IonicContact NH2-OE1 3.51Å; R1172-E1436 PolarHBondContact NH2-OE1 3.02Å; E1436-N1438 PolarHBondContact O-N 3.27Å; E1436-T1439 WeakPolarHBondContact O-CB 3.32Å; E1436-T1439 PolarHBondContact O-N 3.22Å; E1436-T1439 PolarHBondContact O-OG1 2.98Å
1437G71.7Confident79.1Confident78 Ų7856.2 Ų56.280%0.80431%0.31SS*.THydrogen-bonded Turntrans60.4-134.1177.700000114.3T1439G1437-T1439 VanDerWaalsContact C-N 3.32Å
1438N75.2Confident78.3Confident158 Ų15860.1 Ų60.185%0.84533%0.329SS*.THydrogen-bonded Turntrans-89.911.6178-82.9-2.7000113.6E1436E1436-N1438 PolarHBondContact O-N 3.27Å
1439T79.9Confident77.8Confident15 Ų1563.7 Ų63.79%0.09234%0.342CS..  trans-59.6137.5179.4-64.50000111T1407 D1408 K1409 M1435 E1436 G1437T1407-T1439 VanDerWaalsContact CB-CG2 3.43Å; T1407-T1439 HydrophobicContact CG2-CG2 3.82Å; D1408-T1439 VanDerWaalsContact OD1-CA 3.26Å; D1408-T1439 WeakPolarHBondContact OD1-CA 3.23Å; D1408-T1439 WeakPolarHBondContact OD1-CG2 3.34Å; K1409-T1439 HydrophobicContact CB-CG2 4.39Å; K1409-T1439 WeakPolarHBondContact CD-OG1 3.26Å; K1409-T1439 HydrophobicContact CG-CG2 4.27Å; M1435-T1439 VanDerWaalsContact CE-C 3.47Å; M1435-T1439 HydrophobicContact CE-CG2 3.81Å; M1435-T1439 WeakPolarHBondContact CE-O 3.3Å; E1436-T1439 WeakPolarHBondContact O-CB 3.32Å; E1436-T1439 PolarHBondContact O-N 3.22Å; E1436-T1439 PolarHBondContact O-OG1 2.98Å; G1437-T1439 VanDerWaalsContact C-N 3.32Å
1440K83.3Confident76.9Confident93 Ų9365.8 Ų65.840%0.40435%0.347SS..  trans-121.4148.6178.9-65.8-176.8175.5-157.70111.3E1357 T1407 D1408E1357-K1440 HydrophobicContact CB-CB 4.38Å; E1357-K1440 HydrophobicContact CB-CD 4.37Å; E1357-K1440 HydrophobicContact CB-CG 4.36Å; E1357-K1440 CarbonylContact O-C 3.53Å; E1357-K1440 WeakPolarHBondContact O-CA 3.3Å; E1357-K1440 IonicContact OE1-NZ 3.57Å; E1357-K1440 PolarHBondContact OE1-NZ 3.39Å; E1357-K1440 WeakPolarHBondContact OE2-CE 3.25Å; E1357-K1440 IonicContact OE2-NZ 2.67Å; E1357-K1440 PolarHBondContact OE2-NZ 2.84Å; T1407-K1440 CarbonylContact C-O 3.59Å; T1407-K1440 WeakPolarHBondContact CA-O 3.24Å; T1407-K1440 WeakPolarHBondContact CB-O 3.37Å; D1408-K1440 VanDerWaalsContact CG-N 3.32Å; D1408-K1440 PolarHBondContact N-O 2.91Å; D1408-K1440 PolarHBondContact OD1-N 2.91Å; D1408-K1440 PolarHBondContact OD2-N 3.49Å
1441V83.1Confident75.3Confident6 Ų670.9 Ų70.94%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-69.6127.5165.6173.10000108.1I1355 E1357 A1392 L1405 M1435I1355-V1441 HydrophobicContact CG2-CG1 4.24Å; E1357-V1441 PolarHBondContact O-N 3.04Å; A1392-V1441 HydrophobicContact CB-CB 4.21Å; A1392-V1441 HydrophobicContact CB-CG1 4.01Å; L1405-V1441 HydrophobicContact CD2-CG1 3.53Å; M1435-V1441 HydrophobicContact CE-CG2 3.94Å; M1435-V1441 HydrophobicContact SD-CG2 4.09Å
1442V75.7Confident73.3Confident64 Ų6474.8 Ų74.839%0.38840%0.396SS..EExtended strand (participates in β ladder)trans-105.6-38.3-179.2-120.70000112.4F1184 I1406 T1407 D1408F1184-V1442 HydrophobicContact CD2-CG2 4.4Å; F1184-V1442 HydrophobicContact CE2-CB 4.04Å; F1184-V1442 HydrophobicContact CE2-CG1 4.27Å; F1184-V1442 HydrophobicContact CE2-CG2 4Å; F1184-V1442 HydrophobicContact CZ-CB 4.22Å; F1184-V1442 HydrophobicContact CZ-CG1 3.96Å; F1184-V1442 HydrophobicContact CZ-CG2 4.14Å; I1406-V1442 PolarHBondContact O-N 3.24Å; T1407-V1442 WeakPolarHBondContact O-CG2 3.49Å; D1408-V1442 VanDerWaalsContact CA-CG2 3.46Å; D1408-V1442 HydrophobicContact CB-CG2 4Å
1443T72Confident71Confident36 Ų3683.4 Ų83.422%0.22144%0.436CS..EExtended strand (participates in β ladder)trans-149.4161.7-178.2-168.40000111.5I1406I1406-T1443 HydrophobicContact CB-CG2 3.81Å; I1406-T1443 HydrophobicContact CD1-CG2 3.92Å; I1406-T1443 HydrophobicContact CG1-CG2 4.12Å; I1406-T1443 PolarHBondContact N-O 3.01Å; I1406-T1443 VanDerWaalsContact N-O 3.11Å; I1406-T1443 PolarHBondContact O-N 3.08Å
1444M80.7Confident68.6Low34 Ų3489.2 Ų89.217%0.16747%0.472CS..EExtended strand (participates in β ladder)trans-134.6145.717065.4176.3157.200109.8L1353 I1355 L1394 T1395 I1403 L1404 L1405L1353-M1444 HydrophobicContact CD2-SD 4.35Å; I1355-M1444 HydrophobicContact CD1-CB 4.29Å; I1355-M1444 HydrophobicContact CD1-SD 3.51Å; I1355-M1444 VanDerWaalsContact CD1-SD 3.51Å; I1355-M1444 HydrophobicContact CG1-SD 4.01Å; L1394-M1444 VanDerWaalsContact C-CE 3.48Å; T1395-M1444 HydrophobicContact CG2-CE 3.76Å; T1395-M1444 HydrophobicContact CG2-SD 3.79Å; I1403-M1444 HydrophobicContact CG2-CB 4.46Å; L1404-M1444 CarbonylContact O-C 3.28Å; L1404-M1444 VanDerWaalsContact O-CA 3.27Å; L1404-M1444 WeakPolarHBondContact O-CA 3.31Å; L1405-M1444 HydrophobicContact CD2-CB 3.84Å
1445A73.1Confident66.4Low24 Ų2490.5 Ų90.520%0.19848%0.48CS..EExtended strand (participates in β ladder)trans-125.9147.7169.300000109.9L1404L1404-A1445 HydrophobicContact CB-CB 4.44Å; L1404-A1445 PolarHBondContact N-O 3Å; L1404-A1445 PolarHBondContact O-N 3.08Å
1446I77.1Confident64.2Low67 Ų6798.1 Ų98.134%0.34452%0.515SS..EExtended strand (participates in β ladder)trans-95.2132.9169.4-58170.7000106.2T1395 T1396 V1397 E1401 I1403T1395-I1446 HydrophobicContact CG2-CD1 3.82Å; T1395-I1446 HydrophobicContact CG2-CG1 4.17Å; T1395-I1446 WeakPolarHBondContact OG1-CD1 3.41Å; T1396-I1446 WeakPolarHBondContact O-CD1 3.4Å; V1397-I1446 HydrophobicContact CG1-CD1 3.88Å; V1397-I1446 HydrophobicContact CG1-CG1 4.2Å; E1401-I1446 HydrophobicContact CB-CG2 3.52Å; E1401-I1446 HydrophobicContact CG-CG2 3.7Å; I1403-I1446 HydrophobicContact CD1-CG1 3.95Å
1447V72.5Confident62.1Low39 Ų3998.7 Ų98.724%0.23653%0.527CS..EExtended strand (participates in β ladder)trans-132.5153.4174.7-64.30000108.8D1402D1402-V1447 HydrophobicContact CB-CG2 3.71Å; D1402-V1447 PolarHBondContact N-O 2.91Å; D1402-V1447 PolarHBondContact O-N 3.43Å
1448D68.6Low60.1Low132 Ų132104.2 Ų104.271%0.70653%0.532SS*.PPolyproline II helixtrans-58.1153177-64.6-42.2000111.1R1414 E1450R1414-D1448 PolarHBondContact NH2-O 2.99Å; D1448-E1450 PolarHBondContact O-N 3.35Å
1449K70.5Confident58Low120 Ų120103.3 Ų103.352%0.52253%0.532SS..PPolyproline II helixtrans-62.9136.3177.2-157.1-179.4177.3-177.20108.8D1400 D1451D1400-K1449 VanDerWaalsContact O-CB 3.25Å; D1400-K1449 WeakPolarHBondContact O-CB 3.41Å; D1400-K1449 WeakPolarHBondContact O-CD 3.22Å; D1400-K1449 WeakPolarHBondContact O-CG 2.97Å; K1449-D1451 PolarHBondContact O-N 2.99Å
1450E62.2Low55.7Low63 Ų63109.1 Ų109.129%0.29457%0.568SS.*PPolyproline II helixtrans-68.2124.5169.2-165.2176.7-151.300108.2R1165 S1166 D1448 E1452R1165-E1450 WeakPolarHBondContact CA-OE1 3.27Å; R1165-E1450 WeakPolarHBondContact CG-OE1 3.37Å; S1166-E1450 WeakPolarHBondContact CA-OE2 3.32Å; S1166-E1450 WeakPolarHBondContact CB-OE2 3.4Å; S1166-E1450 PolarHBondContact N-OE2 3.32Å; S1166-E1450 PolarHBondContact OG-OE2 2.77Å; D1448-E1450 PolarHBondContact O-N 3.35Å; E1450-E1452 PolarHBondContact O-N 3.03Å
1451D52.8Low53.3Low146 Ų146113.7 Ų113.778%0.78159%0.59SS**PPolyproline II helixtrans-62124.8169.8-75.2-37.8000108.1K1449 E1453K1449-D1451 PolarHBondContact O-N 2.99Å; D1451-E1453 VanDerWaalsContact C-N 3.25Å; D1451-E1453 PolarHBondContact O-N 3.14Å
1452E45.9Very low51Low194 Ų194118.2 Ų118.291%0.90763%0.629SS**  trans-6889.6170-76.1-175.9166.200107.6E1450 V1454E1450-E1452 PolarHBondContact O-N 3.03Å; E1452-V1454 PolarHBondContact O-N 2.9Å
1453E36.1Very low48.9Very low182 Ų182119.7 Ų119.785%0.8565%0.647SS**  trans-59.5119.2164-85.6-173.3162.400108.4D1451 E1455D1451-E1453 VanDerWaalsContact C-N 3.25Å; D1451-E1453 PolarHBondContact O-N 3.14Å; E1453-E1455 PolarHBondContact O-N 3.21Å; E1453-E1455 VanDerWaalsContact O-N 3.12Å
1454V32.9Very low47.1Very low128 Ų128127 Ų12778%0.77668%0.679SS**  trans-61.7109.8170.2179.30000107.1E1452 E1456E1452-V1454 PolarHBondContact O-N 2.9Å; V1454-E1456 VanDerWaalsContact C-N 3.31Å; V1454-E1456 PolarHBondContact O-N 3.41Å
1455E31.4Very low44.9Very low180 Ų180130.9 Ų130.984%0.84171%0.705SS**  trans-62.391.1169.2-78.9-173.6160.300109.3E1453E1453-E1455 PolarHBondContact O-N 3.21Å; E1453-E1455 VanDerWaalsContact O-N 3.12Å
1456E31.1Very low42.9Very low185 Ų185135 Ų13586%0.86473%0.728SS**  trans-72.5121.1155.2-80.3-170.3163.500108.5V1454V1454-E1456 VanDerWaalsContact C-N 3.31Å; V1454-E1456 PolarHBondContact O-N 3.41Å
1457T27.8Very low40.7Very low129 Ų129140.1 Ų140.179%0.79175%0.75SS**  trans-88.1109.7-177.3-19.30000108.5
1458E29.2Very low39Very low193 Ų193145.6 Ų145.690%0.90278%0.776SS**  trans-134.7116.4158.2-76.6-160.4160.500112.1
1459T32.6Very low37.4Very low139 Ų139145 Ų14585%0.85378%0.778SS**  trans-73.9131.9170.938.40000111.2
1460V32.1Very low35.7Very low138 Ų138148.9 Ų148.984%0.83680%0.798SS**  trans-63.6131.51701790000111.4
1461E32.2Very low34.5Very low188 Ų188154.8 Ų154.888%0.87983%0.825SS**  trans-166.6128133.8-109176.2-165.500113.5
1462A33.7Very low33.9Very low102 Ų102151.7 Ų151.784%0.84382%0.82SS**  trans81.5106.7152.800000122.3
1463A32.3Very low33.5Very low95 Ų95151 Ų15179%0.78582%0.817SS**  trans-15.4140.6153.400000121.3
1464E35.3Very low33.7Very low189 Ų189148.3 Ų148.388%0.88381%0.808SS**  -177.1121.7126.5-100.7176-171.700112.4
1465T33.3Very low34.1Very low116 Ų116148.1 Ų148.171%0.71280%0.803SS**  trans41122.8136.43.70000124.5
1466T31Very low34.6Very low111 Ų111146.1 Ų146.168%0.68180%0.803SS**  trans66.5123.3133.136.30000124.3
1467E31.7Very low34.8Very low174 Ų174146.5 Ų146.581%0.81381%0.805SS**  trans69.8146.4133.4-72.2-179.1177.600122.4
1468I37.3Very low35Very low153 Ų153153.3 Ų153.379%0.78583%0.828SS**  trans13291.9150.3-66.9163.6000110.4
1469T33.2Very low35.3Very low119 Ų119151.3 Ų151.373%0.7382%0.824SS**  60.4120.299.944.50000116.9
1470E36.6Very low35.4Very low202 Ų202151.9 Ų151.994%0.94482%0.822SS**  trans-139.1121.4141.4-91-171166.400110.1
1471E36.3Very low35.6Very low187 Ų187152.7 Ų152.787%0.87482%0.822SS**  trans-83.1154173.8-59.5169.6133.600110.6
1472A39.2Very low35.8Very low81 Ų81150.6 Ų150.667%0.66982%0.818SS**  163.7128.9122.500000114.7
1473Q39Very low35.9Very low181 Ų181153.7 Ų153.785%0.84682%0.817SS**  trans71.7140.6137.9-70.7171.20.800118.8
1474N39.1Very low36.2Very low125 Ų125157.6 Ų157.667%0.66882%0.819SS**  cis-172.6152.9-10.3-129.630.9000106.8
1475D42.5Very low36.2Very low123 Ų123155.4 Ų155.466%0.65881%0.814SS**  trans79.2114.3143.6-57.2-24.7000123.2
1476T40.8Very low36.5Very low138 Ų138158.4 Ų158.485%0.84782%0.822SS**  99.2113.8129.137.90000120.6
1477E34.9Very low36.9Very low193 Ų193162.3 Ų162.390%0.90283%0.834SS**  trans-57.1138.2167.7-62.5166.2145.300113.1
1478E32.5Very low37.4Very low272 Ų272161.3 Ų161.3100%1.27184%0.836SS**  -140.20113.1-108.2-176.3-179.100108.9

Retrieved 1,478 of 1,478 residues in 2589.6 ms (Link to these results)

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