A0A077ZCY1_TRITR Loading...

Dedicator of cytokinesis protein 1

AlphaFold DB , UniProt , Accession A0A077ZCY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,589 aa.

>A0A077ZCY1_TRITR|A0A077ZCY1
MSTNLSFLITDLGSKDLDREKFCIFFGAVKSGPFESRDNLGHRKNHLSSTTVRQTFAVAALDLTTVVNRCFNADPDESMVLTLDEMEERRIFVPLNPLNDDSAEQVLRRVIEGKTASVNDIEAKGDGFWLTLQPLFVSLEELKNTQPHLFSNPPVLVRKMGFPEVIVRDDVRNDLYVSLACGDFTHCTNRSDKNVEVRICLVDELTNTVVQNSIATVGSSASLNTYYTSSVFYHQDRPRWFETVKVIIPVDIYGNVHIQFTFRHRSSNESKDKGERPFAVSFIRLRQSNGTVLKDGRHDLVVYRLAAKIEESDFSYHTLPSTRADLEMSGLSNVSSRSHIQSPTGAFAISPKDCFTINTVVCSTSLTQNVDLLGLLEWETKRVNLKISLESLMKDEGDRAGEEVVKFLQDILDVLFTVLISSNDYDLLVFDALVYVIGLIGERRYHNFKSVLDNYLQYHFSAALAYQKLIPLFKDCIDKVEDCSTRLLRTLKALEYLTKFIVRSRELYVKLKGPFAGQEHFWELIRGLFLSLTTLMLYQTDWSLLCQGAALKYIPHIVSDVLSVFDQREFASMLANFIRNVPEDRLTKQKLMCLLDFVQSEMVKRTGVHVSFLTTGAVKFQIENNEELELCAQILTATMEVLFDKRLSKSANSGTLLFIMRVALRPVVQVIVRLIEANEQVILGQYVALLLSLLEELDACTYRSYVSEFVTRTDLMDFITELLMLFRDLLSHPVFPVDWFQMTFIQNSIILKILCYAASTVKARFLHEKFDYQVKEMFMFRDMRLTCGRELVRSMWFSMNLIEKNEFIPCLVGSILEVTLIPVEEVRKLTIPIFFDMMVTEFYLRASATLVSTPVVLRGNFSYRSAVVEFETEFITKLDQLIDAGSGDAKYADTFVRLMMQLCSSHTEPLREEGMRVTRTVELLIGRLLDFRAVRLHHNNINNRMSCTVSLLNFYYDIGHMDLYIKYLYKLYELHMQQENYVEAALTLALHADCLKWSDSPTKAQHLHSSFHSCRTQRDLKEALSLQMIELFDRGELWEKAIGEKMSKMYRNILKHQRAEPEYFRVGFFGLGFPSFLQNATFVYRGDGYERLADFAARIQAEFPRANLLNSLDPPSDEIKSSSDQYLQINKVDPLCDEQMKGISGRIKDPHILWYHKCNEVQKFSFSRRISRRLSNYTSSSVEEQQENEFGLMWLERSILVTSCLFPGILRWFPVTSESHVDLSPVEVAVEAMTSTVKDLERLINDAELHRERSLKPLAAKLQGMLQPAVMGGIQNYEKVFFNESFACKCDQKTLDLLDVLKDRIAAQVPLLEKGVYLHAQLCSSEQREFHCLLVSCFKEYKSHVQQHYGVRVSLLPENAVLDMPRAQSLQKQHSMDGYMFNDVRSPHSNSLVNRKTNSVRDWQGSTSTPWLLRSGMMTTLSSSSVPRRLHQKEAASRRKAAAASEKEVTISRTSTDSISSAQSTDGHNYMLPIVLTEKLTPLRPPRPDSNVSKGSSQNPSNLSSNRFTGSLERLNGARSSFLTFKNFDELSLTGDEEEPIDSTPPPLPPRRDSGHVEVSAVISPLFSPMSPTSQQLPSMITVPRREKV
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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
1M39.1Very low69.4Low228 Ų22896.3 Ų96.3100%1.12353%0.527SS*.  0102.80-65.3-165.8-16800106.9T3M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2S40.8Very low70.2Confident121 Ų12195.8 Ų95.885%0.84652%0.522SS*.  trans-86.152.6177.957.20000110.5N4S2-N4 PolarHBondContact O-N 3.22Å; S2-N4 VanDerWaalsContact O-N 3.16Å
3T55.4Low70.5Confident94 Ų9488.8 Ų88.858%0.57749%0.487SS*.  trans-78.997173.7470000106.9M1 L5M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-L5 VanDerWaalsContact C-N 3.31Å; T3-L5 PolarHBondContact O-N 3.26Å
4N66Low70.6Confident149 Ų14986.1 Ų86.180%0.79748%0.478SS*.  trans-62.698166.3-79.3-9.7000107.4S2S2-N4 PolarHBondContact O-N 3.22Å; S2-N4 VanDerWaalsContact O-N 3.16Å
5L73.7Confident70.6Confident130 Ų13088.1 Ų88.168%0.68148%0.479SS*.  trans-82.3123.6175.8-66.4170.2000108.1T3 F7T3-L5 VanDerWaalsContact C-N 3.31Å; T3-L5 PolarHBondContact O-N 3.26Å; L5-F7 HydrophobicContact CB-CE2 3.65Å; L5-F7 HydrophobicContact CB-CZ 3.95Å; L5-F7 HydrophobicContact CD1-CZ 4.4Å
6S78.9Confident70.9Confident48 Ų4883.4 Ų83.434%0.33645%0.454SS..  trans-113134.3176.354.60000110.1P154 V155S6-P154 WeakPolarHBondContact O-CA 3.45Å; S6-P154 WeakPolarHBondContact OG-CA 3.42Å; S6-V155 PolarHBondContact O-N 2.82Å
7F79Confident71Confident106 Ų10680.6 Ų80.647%0.46544%0.438SS..EExtended strand (participates in β ladder)trans-129.2141.2179.3-56.7-85000109.1L5 V155 V157 G218L5-F7 HydrophobicContact CB-CE2 3.65Å; L5-F7 HydrophobicContact CB-CZ 3.95Å; L5-F7 HydrophobicContact CD1-CZ 4.4Å; F7-V155 WeakPolarHBondContact CA-O 3.28Å; F7-V155 HydrophobicContact CD1-CB 3.79Å; F7-V155 HydrophobicContact CD1-CG1 4.31Å; F7-V155 HydrophobicContact CD1-CG2 4.45Å; F7-V155 HydrophobicContact CE1-CB 4.11Å; F7-V155 HydrophobicContact CE1-CG2 4.33Å; F7-V157 HydrophobicContact CD1-CG2 4.3Å; F7-G218 VanDerWaalsContact CE1-O 3.26Å; F7-G218 WeakPolarHBondContact CE1-O 3.23Å
8L84.2Confident71Confident29 Ų2983.4 Ų83.415%0.15245%0.453CS..EExtended strand (participates in β ladder)trans-119111.6172.5-175.166.4000108.5T10 L135 L139 L142 F150 P154 V155 L156 V157L8-T10 HydrophobicContact CD2-CG2 4.46Å; L8-T10 HydrophobicContact CG-CG2 4.25Å; L8-L135 HydrophobicContact CD1-CD1 4.01Å; L8-L139 HydrophobicContact CD2-CD1 3.46Å; L8-L139 VanDerWaalsContact CD2-CD1 3.46Å; L8-L142 HydrophobicContact CD1-CD2 4.4Å; L8-L142 HydrophobicContact CD2-CD2 4.13Å; L8-F150 HydrophobicContact CD2-CE1 4.35Å; L8-F150 HydrophobicContact CD2-CZ 4.44Å; L8-P154 HydrophobicContact CB-CB 4.2Å; L8-P154 HydrophobicContact CB-CG 4.11Å; L8-V155 PolarHBondContact N-O 3.07Å; L8-L156 HydrophobicContact CB-CD1 4.28Å; L8-L156 HydrophobicContact CD2-CD1 3.97Å; L8-L156 HydrophobicContact CG-CD1 4.25Å; L8-V157 PolarHBondContact O-N 2.77Å
9I82.2Confident71.2Confident96 Ų9687.2 Ų87.249%0.49246%0.459SS..EExtended strand (participates in β ladder)trans-88.8125.6178.2-56.2174.6000108.5L12 V157I9-L12 HydrophobicContact CG2-CD1 3.97Å; I9-L12 HydrophobicContact CG2-CD2 4.36Å; I9-L12 HydrophobicContact CG2-CG 4.09Å; I9-V157 VanDerWaalsContact CA-O 3.32Å; I9-V157 WeakPolarHBondContact CA-O 3.03Å; I9-V157 HydrophobicContact CG1-CB 4.48Å
10T84.5Confident71.4Confident25 Ų2592 Ų9215%0.15348%0.479CS..EExtended strand (participates in β ladder)trans-120.5171.5179.467.10000112.3L8 L12 L156 V157 K159L8-T10 HydrophobicContact CD2-CG2 4.46Å; L8-T10 HydrophobicContact CG-CG2 4.25Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.36Å; T10-L156 HydrophobicContact CG2-CD1 3.47Å; T10-L156 VanDerWaalsContact CG2-CD1 3.47Å; T10-V157 PolarHBondContact N-O 3.46Å; T10-K159 PolarHBondContact O-N 3.16Å; T10-K159 VanDerWaalsContact O-N 3.09Å
11D79.7Confident71.8Confident33 Ų3393.8 Ų93.818%0.17648%0.483CS..  trans70.317.5177.8-49.5-16.6000114.3R158 K159 P163 R172D11-R158 IonicContact OD1-NE 3.76Å; D11-R158 IonicContact OD1-NH2 2.92Å; D11-R158 IonicContact OD2-CZ 3.24Å; D11-R158 IonicContact OD2-NE 3.06Å; D11-R158 PolarHBondContact OD2-NE 2.93Å; D11-R158 IonicContact OD2-NH2 3.84Å; D11-R158 PolarHBondContact OD2-NH2 3.39Å; D11-R158 VanDerWaalsContact OD2-NH2 3.09Å; D11-K159 HydrophobicContact CB-CB 3.85Å; D11-K159 WeakPolarHBondContact O-CD 3.46Å; D11-P163 HydrophobicContact CB-CB 3.86Å; D11-R172 IonicContact OD2-NH1 2.98Å; D11-R172 PolarHBondContact OD2-NH1 3.4Å; D11-R172 VanDerWaalsContact OD2-NH1 3.13Å
12L79.3Confident73.8Confident90 Ų9084.7 Ų84.747%0.47144%0.438SS..  trans-74.4125.4170.5-62.4176.3000109.7I9 T10 D16I9-L12 HydrophobicContact CG2-CD1 3.97Å; I9-L12 HydrophobicContact CG2-CD2 4.36Å; I9-L12 HydrophobicContact CG2-CG 4.09Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.36Å; L12-D16 HydrophobicContact CD2-CB 4.36Å
13G74.2Confident75.8Confident6 Ų680.8 Ų80.86%0.06241%0.41CS..  trans-112.1178.5178.600000113.4K15 D16 L17 E164G13-K15 VanDerWaalsContact C-N 3.31Å; G13-K15 PolarHBondContact O-N 2.88Å; G13-D16 PolarHBondContact N-OD2 3.07Å; G13-D16 WeakPolarHBondContact O-CB 3.48Å; G13-D16 PolarHBondContact O-N 2.73Å; G13-L17 WeakPolarHBondContact O-CG 3.34Å; G13-L17 PolarHBondContact O-N 2.7Å; G13-L17 VanDerWaalsContact O-N 3.16Å; G13-E164 VanDerWaalsContact CA-OE2 3.28Å; G13-E164 WeakPolarHBondContact CA-OE2 3.44Å
14S71.4Confident77.1Confident51 Ų5178.4 Ų78.436%0.35739%0.393SS..Hα-helixtrans-54.5-44.9179.969.10000112.4D16 L17 D18 E164S14-D16 PolarHBondContact O-N 3.16Å; S14-L17 CarbonylContact O-C 3.53Å; S14-L17 WeakPolarHBondContact O-CA 3.44Å; S14-L17 WeakPolarHBondContact O-CB 3.49Å; S14-L17 PolarHBondContact O-N 2.87Å; S14-D18 PolarHBondContact O-N 3.25Å; S14-E164 PolarHBondContact N-OE2 3.25Å; S14-E164 PolarHBondContact OG-OE1 2.75Å; S14-E164 PolarHBondContact OG-OE2 2.87Å
15K70.7Confident77.9Confident116 Ų11676.5 Ų76.550%0.50438%0.378SS..Hα-helixtrans-61.8-27.1176.6-68.4-176.2-176.2168.30114.1G13 R444G13-K15 VanDerWaalsContact C-N 3.31Å; G13-K15 PolarHBondContact O-N 2.88Å; K15-R444 PolarHBondContact NZ-O 3.47Å
16D75.3Confident78.3Confident13 Ų1372.7 Ų72.77%0.0736%0.356CS..Hα-helixtrans-73.4-48.7173.9-57.7-56.9000108.4L12 G13 S14 D18 R19 F22 K159L12-D16 HydrophobicContact CD2-CB 4.36Å; G13-D16 PolarHBondContact N-OD2 3.07Å; G13-D16 WeakPolarHBondContact O-CB 3.48Å; G13-D16 PolarHBondContact O-N 2.73Å; S14-D16 PolarHBondContact O-N 3.16Å; D16-D18 PolarHBondContact O-N 3Å; D16-R19 VanDerWaalsContact O-CB 3.23Å; D16-R19 WeakPolarHBondContact O-CB 2.98Å; D16-R19 VanDerWaalsContact O-CG 3.23Å; D16-R19 WeakPolarHBondContact O-CG 3.41Å; D16-R19 PolarHBondContact O-N 2.83Å; D16-F22 WeakPolarHBondContact O-CE2 3.44Å; D16-F22 WeakPolarHBondContact O-CZ 3.22Å; D16-K159 WeakPolarHBondContact OD1-CE 3.31Å; D16-K159 IonicContact OD1-NZ 3.27Å; D16-K159 PolarHBondContact OD1-NZ 2.97Å; D16-K159 VanDerWaalsContact OD2-CE 3.28Å; D16-K159 WeakPolarHBondContact OD2-CE 3.42Å; D16-K159 IonicContact OD2-NZ 2.76Å; D16-K159 PolarHBondContact OD2-NZ 2.85Å
17L72.4Confident78.3Confident36 Ų3673 Ų7319%0.18837%0.366CS..Hα-helixtrans-59.5-29.6-179.8-61.7170.8000113.5G13 S14 R19 F22 V67 F71G13-L17 WeakPolarHBondContact O-CG 3.34Å; G13-L17 PolarHBondContact O-N 2.7Å; G13-L17 VanDerWaalsContact O-N 3.16Å; S14-L17 CarbonylContact O-C 3.53Å; S14-L17 WeakPolarHBondContact O-CA 3.44Å; S14-L17 WeakPolarHBondContact O-CB 3.49Å; S14-L17 PolarHBondContact O-N 2.87Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 3.22Å; L17-F22 HydrophobicContact CD2-CZ 4.33Å; L17-V67 HydrophobicContact CD2-CG1 4.06Å; L17-F71 HydrophobicContact CD1-CD1 3.49Å; L17-F71 VanDerWaalsContact CD1-CD1 3.49Å; L17-F71 HydrophobicContact CD1-CE1 3.45Å; L17-F71 VanDerWaalsContact CD1-CE1 3.45Å; L17-F71 HydrophobicContact CD1-CG 4.21Å; L17-F71 HydrophobicContact CD1-CZ 4.15Å; L17-F71 HydrophobicContact CD2-CD1 3.93Å; L17-F71 HydrophobicContact CD2-CD2 3.77Å; L17-F71 HydrophobicContact CD2-CE1 3.66Å; L17-F71 HydrophobicContact CD2-CE2 3.51Å; L17-F71 HydrophobicContact CD2-CG 4.01Å; L17-F71 HydrophobicContact CD2-CZ 3.46Å; L17-F71 VanDerWaalsContact CD2-CZ 3.46Å; L17-F71 HydrophobicContact CG-CD1 4.27Å; L17-F71 HydrophobicContact CG-CE1 4.2Å; L17-F71 HydrophobicContact CG-CZ 4.46Å
18D70.7Confident78.4Confident130 Ų13068.5 Ų68.570%0.69535%0.349SS*.THydrogen-bonded Turntrans-79.5-0.9176.3-68.7-22.3000114.2S14 D16S14-D18 PolarHBondContact O-N 3.25Å; D16-D18 PolarHBondContact O-N 3Å
19R75.9Confident78.3Confident155 Ų15569.7 Ų69.759%0.58536%0.358SS*.  trans-67.6141.4-179.7-73.1-177.8178.1-156.71.3111.7D16 L17 K21 F22D16-R19 VanDerWaalsContact O-CB 3.23Å; D16-R19 WeakPolarHBondContact O-CB 2.98Å; D16-R19 VanDerWaalsContact O-CG 3.23Å; D16-R19 WeakPolarHBondContact O-CG 3.41Å; D16-R19 PolarHBondContact O-N 2.83Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 3.22Å; R19-K21 PolarHBondContact O-N 3.4Å; R19-K21 VanDerWaalsContact O-N 3.1Å; R19-F22 HydrophobicContact CB-CE2 4.22Å
20E74.5Confident78.3Confident184 Ų18468 Ų6886%0.8635%0.346SS*.SBendtrans-57.1-29.6179.7-66.3-176.1173.500114.1T64E20-T64 VanDerWaalsContact O-CG2 3.29Å; E20-T64 WeakPolarHBondContact O-CG2 3.4Å
21K80.3Confident78Confident129 Ų12970.8 Ų70.856%0.56137%0.367SS*.  trans-141.8134.2-179.1-70.9-164.9175.6-165.20113.2R19 T64R19-K21 PolarHBondContact O-N 3.4Å; R19-K21 VanDerWaalsContact O-N 3.1Å; K21-T64 WeakPolarHBondContact CA-OG1 3.16Å
22F80.3Confident78Confident37 Ų3769.5 Ų69.516%0.16236%0.362CS..  trans-116.3121169.6-83.3-87.1000110.3D16 L17 R19 D62 L63 T64 V67D16-F22 WeakPolarHBondContact O-CE2 3.44Å; D16-F22 WeakPolarHBondContact O-CZ 3.22Å; L17-F22 HydrophobicContact CD2-CZ 4.33Å; R19-F22 HydrophobicContact CB-CE2 4.22Å; F22-D62 VanDerWaalsContact O-OD1 3.13Å; F22-L63 HydrophobicContact CB-CB 4.22Å; F22-L63 PolarHBondContact O-N 2.99Å; F22-T64 PolarHBondContact N-OG1 3.05Å; F22-V67 HydrophobicContact CB-CG2 4.27Å; F22-V67 HydrophobicContact CD2-CB 4.37Å; F22-V67 HydrophobicContact CD2-CG1 4.05Å; F22-V67 HydrophobicContact CD2-CG2 4.44Å; F22-V67 HydrophobicContact CE2-CG1 3.93Å; F22-V67 HydrophobicContact CG-CG2 4.19Å; F22-V67 HydrophobicContact CZ-CG1 4.31Å
23C83.7Confident77.8Confident40 Ų4067.3 Ų67.327%0.2735%0.353SS..EExtended strand (participates in β ladder)trans-130.6141.4177.5-57.40000111F25 L61C23-F25 HydrophobicContact CB-CE1 4.09Å; C23-F25 HydrophobicContact CB-CE2 4.12Å; C23-F25 HydrophobicContact CB-CZ 3.69Å; C23-L61 CarbonylContact C-O 3.51Å; C23-L61 VanDerWaalsContact CA-O 3.26Å; C23-L61 WeakPolarHBondContact CA-O 3.3Å
24I82.1Confident77.8Confident43 Ų4367.5 Ų67.522%0.22135%0.352CS..EExtended strand (participates in β ladder)trans-104.3135.5166-64.8-174.3000108.8F26 A60 L61 L63 L130 L132I24-F26 HydrophobicContact CB-CE2 4.31Å; I24-F26 HydrophobicContact CG2-CD2 4.13Å; I24-F26 HydrophobicContact CG2-CE1 4.15Å; I24-F26 HydrophobicContact CG2-CE2 3.46Å; I24-F26 VanDerWaalsContact CG2-CE2 3.46Å; I24-F26 HydrophobicContact CG2-CZ 3.48Å; I24-F26 VanDerWaalsContact CG2-CZ 3.48Å; I24-A60 CarbonylContact O-C 3.58Å; I24-A60 VanDerWaalsContact O-CA 3.28Å; I24-A60 WeakPolarHBondContact O-CA 3.05Å; I24-L61 PolarHBondContact N-O 2.96Å; I24-L61 PolarHBondContact O-N 3.39Å; I24-L63 HydrophobicContact CD1-CD1 3.35Å; I24-L63 HydrophobicContact CD1-CG 4.44Å; I24-L63 HydrophobicContact CG1-CD1 3.56Å; I24-L63 HydrophobicContact CG1-CG 4.35Å; I24-L130 HydrophobicContact CD1-CD2 4.38Å; I24-L132 HydrophobicContact CD1-CD2 4.19Å
25F83Confident77.6Confident109 Ų10966.8 Ų66.848%0.47834%0.343SS..EExtended strand (participates in β ladder)trans-115.6135.4177.3-59.1-59.7000111C23 A59 A60 L107 I111C23-F25 HydrophobicContact CB-CE1 4.09Å; C23-F25 HydrophobicContact CB-CE2 4.12Å; C23-F25 HydrophobicContact CB-CZ 3.69Å; F25-A59 WeakPolarHBondContact CA-O 3.32Å; F25-A60 HydrophobicContact CD1-CB 3.59Å; F25-A60 HydrophobicContact CE1-CB 3.7Å; F25-L107 HydrophobicContact CD1-CD1 4.22Å; F25-L107 HydrophobicContact CD1-CD2 3.67Å; F25-L107 HydrophobicContact CD1-CG 4.39Å; F25-L107 HydrophobicContact CE1-CD2 4.28Å; F25-L107 HydrophobicContact CG-CD1 4.49Å; F25-L107 HydrophobicContact CG-CD2 4.47Å; F25-I111 HydrophobicContact CE1-CD1 3.45Å; F25-I111 VanDerWaalsContact CE1-CD1 3.45Å; F25-I111 HydrophobicContact CE1-CG1 3.99Å; F25-I111 HydrophobicContact CZ-CD1 3.55Å; F25-I111 HydrophobicContact CZ-CG1 4.46Å
26F82Confident77.1Confident51 Ų5162.4 Ų62.422%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-117.6131.2175.2-58.7-88.4000109.2I24 V58 A59 V93 F128 L130I24-F26 HydrophobicContact CB-CE2 4.31Å; I24-F26 HydrophobicContact CG2-CD2 4.13Å; I24-F26 HydrophobicContact CG2-CE1 4.15Å; I24-F26 HydrophobicContact CG2-CE2 3.46Å; I24-F26 VanDerWaalsContact CG2-CE2 3.46Å; I24-F26 HydrophobicContact CG2-CZ 3.48Å; I24-F26 VanDerWaalsContact CG2-CZ 3.48Å; F26-V58 CarbonylContact O-C 3.48Å; F26-V58 VanDerWaalsContact O-CA 3.23Å; F26-V58 WeakPolarHBondContact O-CA 3.47Å; F26-A59 HydrophobicContact CB-CB 3.85Å; F26-A59 HydrophobicContact CD2-CB 4.08Å; F26-A59 HydrophobicContact CG-CB 4.39Å; F26-A59 PolarHBondContact N-O 2.98Å; F26-A59 PolarHBondContact O-N 3.43Å; F26-V93 HydrophobicContact CD2-CG1 4.15Å; F26-V93 HydrophobicContact CE2-CG1 4.2Å; F26-V93 HydrophobicContact CE2-CG2 4.34Å; F26-F128 HydrophobicContact CB-CD2 4.21Å; F26-F128 HydrophobicContact CB-CE2 3.84Å; F26-F128 HydrophobicContact CD1-CD2 4.3Å; F26-F128 HydrophobicContact CD1-CE2 4.43Å; F26-F128 HydrophobicContact CG-CD2 4.15Å; F26-F128 HydrophobicContact CG-CE2 4.23Å; F26-L130 HydrophobicContact CZ-CD1 4.26Å; F26-L130 HydrophobicContact CZ-CD2 4.29Å
27G79.5Confident76.2Confident53 Ų5366 Ų6655%0.54634%0.34SS..EExtended strand (participates in β ladder)trans-118.5117.5172.700000110.3V29G27-V29 PolarHBondContact O-N 3.09Å
28A81.3Confident75.3Confident13 Ų1371.7 Ų71.711%0.10737%0.37CS..EExtended strand (participates in β ladder)trans-86.7110173.900000109.5T55 F56 A57 L95A28-T55 WeakPolarHBondContact O-CA 3.45Å; A28-F56 HydrophobicContact CB-CD2 4.45Å; A28-F56 HydrophobicContact CB-CE1 3.97Å; A28-F56 HydrophobicContact CB-CE2 3.86Å; A28-F56 HydrophobicContact CB-CZ 3.6Å; A28-F56 VanDerWaalsContact O-CD1 3.28Å; A28-F56 WeakPolarHBondContact O-CD1 3.31Å; A28-F56 WeakPolarHBondContact O-CE1 3.4Å; A28-F56 PolarHBondContact O-N 2.61Å; A28-A57 HydrophobicContact CB-CB 4.2Å; A28-A57 PolarHBondContact N-O 3.1Å; A28-L95 HydrophobicContact CB-CD2 3.82Å
29V81.5Confident74.4Confident54 Ų5469.2 Ų69.233%0.32736%0.357SS..EExtended strand (participates in β ladder)trans-112.7122.5-176.3-174.50000109.8G27 R53 T55G27-V29 PolarHBondContact O-N 3.09Å; V29-R53 HydrophobicContact CG1-CB 3.93Å; V29-R53 HydrophobicContact CG1-CG 4.38Å; V29-T55 HydrophobicContact CG2-CG2 4.37Å
30K81.9Confident73.2Confident59 Ų5965.5 Ų65.526%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-90.2129.1170.8-178.2-179.6174.2-172.60108.3E35 L40 R53 Q54 F56K30-E35 IonicContact NZ-OE2 2.9Å; K30-E35 PolarHBondContact NZ-OE2 3.49Å; K30-L40 HydrophobicContact CD-CD2 4.15Å; K30-R53 WeakPolarHBondContact O-CA 3.24Å; K30-Q54 PolarHBondContact N-O 3.34Å; K30-Q54 PolarHBondContact O-N 3.26Å; K30-F56 HydrophobicContact CB-CD1 3.74Å; K30-F56 HydrophobicContact CB-CE1 3.8Å
31S78.8Confident72Confident84 Ų8460.1 Ų60.159%0.58734%0.342SS*.EExtended strand (participates in β ladder)trans-105.3116.9168.4-61.30000108.7V52S31-V52 WeakPolarHBondContact CA-O 3.45Å
32G80.1Confident70.4Confident7 Ų762.2 Ų62.27%0.07235%0.354CS..EExtended strand (participates in β ladder)trans179.6-172.5-175.800000112.7T51 V52G32-T51 CarbonylContact O-C 3.52Å; G32-T51 WeakPolarHBondContact O-CA 2.96Å; G32-V52 PolarHBondContact N-O 3.48Å; G32-V52 PolarHBondContact O-N 3.37Å
33P74.7Confident68.6Low43 Ų4370.5 Ų70.528%0.27938%0.384SS..SBendtrans-53.8141.517217.6-27.3000110.9E35 S48P33-E35 PolarHBondContact O-N 2.9Å; P33-S48 WeakPolarHBondContact CB-OG 3.29Å
34F74.6Confident66.7Low10 Ų1077.8 Ų77.84%0.04441%0.411CS..  trans-70.2101.5178-173.9-110.5000110.1V52 Q54 N194 V231 Y233 S267F34-V52 HydrophobicContact CB-CB 4.08Å; F34-V52 HydrophobicContact CB-CG1 4.47Å; F34-V52 HydrophobicContact CB-CG2 3.86Å; F34-V52 HydrophobicContact CD2-CB 4.27Å; F34-V52 HydrophobicContact CD2-CG1 3.78Å; F34-Q54 HydrophobicContact CD2-CG 3.96Å; F34-Q54 VanDerWaalsContact CD2-NE2 3.32Å; F34-Q54 HydrophobicContact CE2-CG 4.24Å; F34-N194 HydrophobicContact CE1-CB 3.98Å; F34-N194 VanDerWaalsContact CE1-ND2 3.27Å; F34-N194 WeakPolarHBondContact CE1-ND2 3.44Å; F34-N194 HydrophobicContact CE2-CB 4.48Å; F34-N194 HydrophobicContact CZ-CB 3.7Å; F34-N194 VanDerWaalsContact CZ-CG 3.46Å; F34-V231 HydrophobicContact CD2-CB 4.44Å; F34-V231 HydrophobicContact CD2-CG1 4.26Å; F34-V231 HydrophobicContact CE2-CB 4.04Å; F34-V231 HydrophobicContact CE2-CG1 3.61Å; F34-V231 HydrophobicContact CZ-CG1 4.05Å; F34-Y233 AromaticContact CE1-CD2 3.65Å; F34-Y233 HydrophobicContact CE1-CD2 3.65Å; F34-Y233 HydrophobicContact CE1-CE2 4.05Å; F34-Y233 AromaticContact CZ-CD2 3.62Å; F34-Y233 HydrophobicContact CZ-CD2 3.62Å; F34-Y233 HydrophobicContact CZ-CE2 4.47Å; F34-Y233 HydrophobicContact CZ-CG 4.45Å; F34-S267 VanDerWaalsContact O-CA 3.31Å; F34-S267 WeakPolarHBondContact O-CA 3.4Å
35E66.7Low65Low37 Ų3783.3 Ų83.317%0.17344%0.441CS..  trans-101145.3-179.1-71170.6163.400110.3K30 P33 Q54K30-E35 IonicContact NZ-OE2 2.9Å; K30-E35 PolarHBondContact NZ-OE2 3.49Å; P33-E35 PolarHBondContact O-N 2.9Å; E35-Q54 PolarHBondContact O-NE2 2.93Å; E35-Q54 VanDerWaalsContact O-NE2 3.09Å
36S60.5Low63.3Low23 Ų2385.9 Ų85.916%0.16145%0.454CS..  trans-68.1144.9162.170.20000108.9D38 N39S36-D38 VanDerWaalsContact C-N 3.26Å; S36-D38 PolarHBondContact O-N 3.5Å; S36-N39 PolarHBondContact O-N 3.45Å; S36-N39 PolarHBondContact OG-ND2 3.49Å
37R55.4Low61.6Low90 Ų9091.6 Ų91.634%0.3449%0.486SS..G310 helixtrans-54.5-38.6-172.8-71.8-178.6118.4151.46.3114.3N39 L40 L98 D100R37-N39 PolarHBondContact O-N 3.23Å; R37-L40 PolarHBondContact O-N 3.32Å; R37-L98 PolarHBondContact NH1-O 3.02Å; R37-L98 VanDerWaalsContact NH2-CB 3.3Å; R37-L98 PolarHBondContact NH2-O 3.42Å; R37-D100 IonicContact NH1-OD1 3.47Å
38D53.2Low60.3Low154 Ų15489.9 Ų89.982%0.82447%0.466SS*.G310 helixtrans-58.6-19.9179.8-60.2-27.7000113.7S36S36-D38 VanDerWaalsContact C-N 3.26Å; S36-D38 PolarHBondContact O-N 3.5Å
39N51.5Low59.3Low79 Ų7993.6 Ų93.642%0.42249%0.491SS..G310 helixtrans-101.70.7-175.3-73.6-44.9000115S36 R37 G41 H42S36-N39 PolarHBondContact O-N 3.45Å; S36-N39 PolarHBondContact OG-ND2 3.49Å; R37-N39 PolarHBondContact O-N 3.23Å; N39-G41 PolarHBondContact O-N 2.96Å; N39-H42 PolarHBondContact O-N 3.06Å
40L51.6Low58.5Low76 Ų7692.4 Ų92.440%0.39848%0.484SS..THydrogen-bonded Turntrans-60.3-15.9-174.6-103.7100000114.4K30 R37K30-L40 HydrophobicContact CD-CD2 4.15Å; R37-L40 PolarHBondContact O-N 3.32Å
41G49.4Very low58.3Low71 Ų7193.9 Ų93.973%0.73250%0.498SS*.THydrogen-bonded Turntrans-97.7-14.3179.600000116.9N39N39-G41 PolarHBondContact O-N 2.96Å
42H45.7Very low58.5Low174 Ų17489.9 Ų89.981%0.80647%0.47SS*.THydrogen-bonded Turntrans-123.58.2-157.4-93.1-44.4000118.7N39N39-H42 PolarHBondContact O-N 3.06Å
43R43Very low58.9Low211 Ų21191.7 Ų91.780%0.79648%0.475SS*.  trans-120.2120.2173.8-78.1-171.8172.6-175.2-1.3114.3
44K45.1Very low59.3Low192 Ų19290.7 Ų90.784%0.83547%0.466SS*.  trans-70.7127.9170.8-72.1176.6174.2177.20110.6H46K44-H46 PolarHBondContact O-N 3.46Å
45N46Very low59.8Low159 Ų15991.1 Ų91.185%0.8547%0.47SS*.  trans46.135.2144.2-63.8-1.6000120.1L47N45-L47 PolarHBondContact O-N 3.28Å
46H46.6Very low60.4Low163 Ų16393.6 Ų93.676%0.75548%0.48SS*.  trans-82.8106.7158.7-100.6-73.3000109.1K44 S48K44-H46 PolarHBondContact O-N 3.46Å; H46-S48 VanDerWaalsContact C-N 3.31Å; H46-S48 PolarHBondContact O-N 2.9Å
47L47.4Very low61.5Low171 Ų17192.9 Ų92.990%0.89548%0.475SS*.  trans-6396.1159.5-90.286.6000107N45N45-L47 PolarHBondContact O-N 3.28Å
48S51.3Low63Low17 Ų1788.8 Ų88.812%0.11946%0.461CS..  trans-70.8146.4164.571.70000108.7P33 H46 T50P33-S48 WeakPolarHBondContact CB-OG 3.29Å; H46-S48 VanDerWaalsContact C-N 3.31Å; H46-S48 PolarHBondContact O-N 2.9Å; S48-T50 VanDerWaalsContact C-N 3.26Å; S48-T50 PolarHBondContact OG-O 3.47Å
49S59.5Low64.5Low91 Ų9181.5 Ų81.564%0.63642%0.421SS*.SBendtrans-78.2-17.2172.469.80000112.2K273S49-K273 WeakPolarHBondContact OG-CE 3.19Å; S49-K273 PolarHBondContact OG-NZ 2.67Å
50T65.4Low66Low30 Ų3078.2 Ų78.218%0.18441%0.406CS..  trans-105.1112.6178.944.20000110S48 D272 K273S48-T50 VanDerWaalsContact C-N 3.26Å; S48-T50 PolarHBondContact OG-O 3.47Å; T50-D272 WeakPolarHBondContact CB-OD2 3.18Å; T50-D272 PolarHBondContact OG1-OD2 2.87Å; T50-K273 HydrophobicContact CG2-CG 4.13Å
51T77Confident67.5Low89 Ų8976 Ų7655%0.54639%0.394SS..  trans-101139.6176.454.50000110.4G32G32-T51 CarbonylContact O-C 3.52Å; G32-T51 WeakPolarHBondContact O-CA 2.96Å
52V83.4Confident69.1Low1 Ų175.6 Ų75.61%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-125.3145.6174.1-179.60000108.3S31 G32 F34 Q54 V231 R265S31-V52 WeakPolarHBondContact CA-O 3.45Å; G32-V52 PolarHBondContact N-O 3.48Å; G32-V52 PolarHBondContact O-N 3.37Å; F34-V52 HydrophobicContact CB-CB 4.08Å; F34-V52 HydrophobicContact CB-CG1 4.47Å; F34-V52 HydrophobicContact CB-CG2 3.86Å; F34-V52 HydrophobicContact CD2-CB 4.27Å; F34-V52 HydrophobicContact CD2-CG1 3.78Å; V52-Q54 HydrophobicContact CG1-CG 4.25Å; V52-V231 HydrophobicContact CG1-CB 3.55Å; V52-V231 HydrophobicContact CG1-CG1 4.39Å; V52-V231 HydrophobicContact CG1-CG2 3.4Å; V52-V231 VanDerWaalsContact CG1-CG2 3.4Å; V52-R265 HydrophobicContact CG1-CG 4.47Å; V52-R265 HydrophobicContact CG2-CB 4.18Å; V52-R265 HydrophobicContact CG2-CG 3.95Å
53R88Confident70.7Confident45 Ų4568 Ų6817%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-89.8126173.6-68.2177.966.9-167.30.6109.2V29 K30 Y227 T228 S230 V231V29-R53 HydrophobicContact CG1-CB 3.93Å; V29-R53 HydrophobicContact CG1-CG 4.38Å; K30-R53 WeakPolarHBondContact O-CA 3.24Å; R53-Y227 PolarHBondContact NH1-OH 3.49Å; R53-Y227 PolarHBondContact NH2-OH 2.79Å; R53-T228 WeakPolarHBondContact CD-O 3.43Å; R53-T228 PolarHBondContact NH1-O 3.34Å; R53-S230 CarbonylContact O-C 3.09Å; R53-S230 VanDerWaalsContact O-CA 3.25Å; R53-S230 WeakPolarHBondContact O-CA 3.44Å; R53-V231 PolarHBondContact O-N 3.14Å
54Q84.4Confident72.3Confident21 Ų2158.8 Ų58.810%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-129.9111.5178-63.8-179.1-84.900108.6K30 F34 E35 V52 F56K30-Q54 PolarHBondContact N-O 3.34Å; K30-Q54 PolarHBondContact O-N 3.26Å; F34-Q54 HydrophobicContact CD2-CG 3.96Å; F34-Q54 VanDerWaalsContact CD2-NE2 3.32Å; F34-Q54 HydrophobicContact CE2-CG 4.24Å; E35-Q54 PolarHBondContact O-NE2 2.93Å; E35-Q54 VanDerWaalsContact O-NE2 3.09Å; V52-Q54 HydrophobicContact CG1-CG 4.25Å; Q54-F56 PolarHBondContact O-N 2.75Å
55T83.5Confident73.7Confident20 Ų2054.3 Ų54.312%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-72.5117.1169.7-49.50000108.5A28 V29 V58 L98 S230A28-T55 WeakPolarHBondContact O-CA 3.45Å; V29-T55 HydrophobicContact CG2-CG2 4.37Å; T55-V58 HydrophobicContact CG2-CG1 4.11Å; T55-L98 HydrophobicContact CG2-CD1 3.67Å; T55-S230 PolarHBondContact OG1-OG 2.77Å
56F81.1Confident74.9Confident89 Ų8949.2 Ų49.239%0.3927%0.271SS..EExtended strand (participates in β ladder)trans-109-23.4-175.361.9-91.2000113.3A28 K30 Q54 L98A28-F56 HydrophobicContact CB-CD2 4.45Å; A28-F56 HydrophobicContact CB-CE1 3.97Å; A28-F56 HydrophobicContact CB-CE2 3.86Å; A28-F56 HydrophobicContact CB-CZ 3.6Å; A28-F56 VanDerWaalsContact O-CD1 3.28Å; A28-F56 WeakPolarHBondContact O-CD1 3.31Å; A28-F56 WeakPolarHBondContact O-CE1 3.4Å; A28-F56 PolarHBondContact O-N 2.61Å; K30-F56 HydrophobicContact CB-CD1 3.74Å; K30-F56 HydrophobicContact CB-CE1 3.8Å; Q54-F56 PolarHBondContact O-N 2.75Å; F56-L98 PolarHBondContact O-N 3.47Å
57A82.8Confident76Confident7 Ų742.4 Ų42.46%0.05824%0.24CC..EExtended strand (participates in β ladder)trans-147.9154.3175.800000111.7A28 L95 N96A28-A57 HydrophobicContact CB-CB 4.2Å; A28-A57 PolarHBondContact N-O 3.1Å; A57-L95 HydrophobicContact CB-CB 4.39Å; A57-L95 HydrophobicContact CB-CD2 3.76Å; A57-N96 CarbonylContact C-O 3.53Å; A57-N96 WeakPolarHBondContact CA-O 3.37Å; A57-N96 WeakPolarHBondContact CB-O 3.4Å
58V86.3Confident77.2Confident5 Ų537.3 Ų37.33%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-134.3154.4176-67.30000110.8F26 T55 N96 L98 A103 V106 L107F26-V58 CarbonylContact O-C 3.48Å; F26-V58 VanDerWaalsContact O-CA 3.23Å; F26-V58 WeakPolarHBondContact O-CA 3.47Å; T55-V58 HydrophobicContact CG2-CG1 4.11Å; V58-N96 PolarHBondContact N-O 3.34Å; V58-N96 WeakPolarHBondContact O-CA 3.38Å; V58-N96 WeakPolarHBondContact O-CB 3.35Å; V58-N96 PolarHBondContact O-N 2.68Å; V58-L98 HydrophobicContact CG1-CD1 3.98Å; V58-L98 HydrophobicContact CG1-CG 4.43Å; V58-L98 HydrophobicContact CG2-CD2 4.16Å; V58-L98 HydrophobicContact CG2-CG 4.31Å; V58-A103 HydrophobicContact CG1-CB 4.12Å; V58-V106 HydrophobicContact CG2-CB 3.77Å; V58-V106 HydrophobicContact CG2-CG1 3.49Å; V58-V106 VanDerWaalsContact CG2-CG1 3.49Å; V58-L107 HydrophobicContact CB-CD2 3.93Å; V58-L107 HydrophobicContact CB-CG 4.31Å; V58-L107 HydrophobicContact CG2-CD2 4.07Å; V58-L107 HydrophobicContact CG2-CG 4.18Å
59A85.1Confident78.1Confident0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-137.5149.5176.800000109F25 F26 V93 P94F25-A59 WeakPolarHBondContact CA-O 3.32Å; F26-A59 HydrophobicContact CB-CB 3.85Å; F26-A59 HydrophobicContact CD2-CB 4.08Å; F26-A59 HydrophobicContact CG-CB 4.39Å; F26-A59 PolarHBondContact N-O 2.98Å; F26-A59 PolarHBondContact O-N 3.43Å; A59-V93 HydrophobicContact CB-CG1 3.71Å; A59-P94 WeakPolarHBondContact CB-O 3.48Å
60A84.2Confident78.3Confident11 Ų1143.4 Ų43.49%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-137.8144.9173.400000109.4I24 F25 L107 V110 I111I24-A60 CarbonylContact O-C 3.58Å; I24-A60 VanDerWaalsContact O-CA 3.28Å; I24-A60 WeakPolarHBondContact O-CA 3.05Å; F25-A60 HydrophobicContact CD1-CB 3.59Å; F25-A60 HydrophobicContact CE1-CB 3.7Å; A60-L107 HydrophobicContact CB-CD2 3.95Å; A60-V110 HydrophobicContact CB-CB 4.2Å; A60-V110 HydrophobicContact CB-CG1 3.78Å; A60-I111 HydrophobicContact CB-CG1 4.15Å
61L82.4Confident78.1Confident30 Ų3045.3 Ų45.316%0.15723%0.233CC..EExtended strand (participates in β ladder)trans-133.2123.6173.2179.464.1000109.1C23 I24 L63 I91 V93 L130C23-L61 CarbonylContact C-O 3.51Å; C23-L61 VanDerWaalsContact CA-O 3.26Å; C23-L61 WeakPolarHBondContact CA-O 3.3Å; I24-L61 PolarHBondContact N-O 2.96Å; I24-L61 PolarHBondContact O-N 3.39Å; L61-L63 HydrophobicContact CD2-CD2 3.47Å; L61-L63 VanDerWaalsContact CD2-CD2 3.47Å; L61-L63 HydrophobicContact CD2-CG 4.37Å; L61-L63 HydrophobicContact CG-CD2 3.74Å; L61-L63 HydrophobicContact CG-CG 4.34Å; L61-I91 HydrophobicContact CD1-CG2 4.01Å; L61-I91 HydrophobicContact CD2-CB 4.49Å; L61-I91 HydrophobicContact CD2-CD1 4.32Å; L61-I91 HydrophobicContact CD2-CG2 3.86Å; L61-V93 HydrophobicContact CB-CG1 4.32Å; L61-V93 HydrophobicContact CB-CG2 4.17Å; L61-V93 HydrophobicContact CD2-CG2 3.85Å; L61-V93 HydrophobicContact CG-CG2 4.43Å; L61-L130 HydrophobicContact CD2-CD2 3.64Å
62D82.8Confident77.3Confident61 Ų6147 Ų4733%0.32624%0.239SC..EExtended strand (participates in β ladder)trans-80.5118.1169.5-170-19.3000109F22 T64F22-D62 VanDerWaalsContact O-OD1 3.13Å; D62-T64 WeakPolarHBondContact OD1-CB 3.48Å; D62-T64 PolarHBondContact OD1-N 3.42Å; D62-T64 PolarHBondContact OD1-OG1 3.25Å
63L78.4Confident75.7Confident15 Ų1548.6 Ų48.68%0.07925%0.252CS..  trans-103.11-179.2-67.2-173.4000113.5F22 I24 L61 T65 V66 V67 L132F22-L63 HydrophobicContact CB-CB 4.22Å; F22-L63 PolarHBondContact O-N 2.99Å; I24-L63 HydrophobicContact CD1-CD1 3.35Å; I24-L63 HydrophobicContact CD1-CG 4.44Å; I24-L63 HydrophobicContact CG1-CD1 3.56Å; I24-L63 HydrophobicContact CG1-CG 4.35Å; L61-L63 HydrophobicContact CD2-CD2 3.47Å; L61-L63 VanDerWaalsContact CD2-CD2 3.47Å; L61-L63 HydrophobicContact CD2-CG 4.37Å; L61-L63 HydrophobicContact CG-CD2 3.74Å; L61-L63 HydrophobicContact CG-CG 4.34Å; L63-T65 PolarHBondContact O-N 3.22Å; L63-T65 VanDerWaalsContact O-N 3.16Å; L63-V66 HydrophobicContact CD2-CG2 4.44Å; L63-V66 WeakPolarHBondContact O-CA 3.11Å; L63-V66 WeakPolarHBondContact O-CB 3.45Å; L63-V66 PolarHBondContact O-N 3.37Å; L63-V67 HydrophobicContact CB-CG2 4.2Å; L63-V67 WeakPolarHBondContact O-CG2 3.41Å; L63-V67 PolarHBondContact O-N 2.8Å; L63-L132 HydrophobicContact CD1-CD1 3.57Å; L63-L132 HydrophobicContact CD1-CD2 4.42Å; L63-L132 HydrophobicContact CD2-CD1 3.33Å; L63-L132 HydrophobicContact CG-CD1 4.11Å
64T78.6Confident73.9Confident17 Ų1752 Ų5210%0.10427%0.273CS..Hα-helixtrans-53.6-42.8-172.3-50.30000111.9E20 K21 F22 D62 N68E20-T64 VanDerWaalsContact O-CG2 3.29Å; E20-T64 WeakPolarHBondContact O-CG2 3.4Å; K21-T64 WeakPolarHBondContact CA-OG1 3.16Å; F22-T64 PolarHBondContact N-OG1 3.05Å; D62-T64 WeakPolarHBondContact OD1-CB 3.48Å; D62-T64 PolarHBondContact OD1-N 3.42Å; D62-T64 PolarHBondContact OD1-OG1 3.25Å; T64-N68 VanDerWaalsContact O-CB 3.29Å; T64-N68 WeakPolarHBondContact O-CB 3.18Å; T64-N68 PolarHBondContact O-N 3.09Å; T64-N68 PolarHBondContact O-ND2 3.38Å
65T73Confident72.1Confident98 Ų9855.7 Ų55.760%0.60130%0.299SS*.Hα-helixtrans-69-34.5177.949.40000113.4L63 R69L63-T65 PolarHBondContact O-N 3.22Å; L63-T65 VanDerWaalsContact O-N 3.16Å; T65-R69 WeakPolarHBondContact O-CB 3.34Å; T65-R69 WeakPolarHBondContact O-CG 3.37Å; T65-R69 PolarHBondContact O-N 3.25Å
66V71Confident70.4Confident53 Ų5361.9 Ų61.932%0.32133%0.332SS..Hα-helixtrans-70.9-48.2177.8-179.50000109.9L63 R69 C70L63-V66 HydrophobicContact CD2-CG2 4.44Å; L63-V66 WeakPolarHBondContact O-CA 3.11Å; L63-V66 WeakPolarHBondContact O-CB 3.45Å; L63-V66 PolarHBondContact O-N 3.37Å; V66-R69 PolarHBondContact O-N 3.47Å; V66-C70 PolarHBondContact O-N 3.38Å; V66-C70 PolarHBondContact O-SG 2.88Å
67V71.1Confident68.9Low19 Ų1965 Ų6512%0.11535%0.347CS..Hα-helixtrans-59.4-54.1176.6175.20000109.6L17 F22 L63 R69 C70 F71L17-V67 HydrophobicContact CD2-CG1 4.06Å; F22-V67 HydrophobicContact CB-CG2 4.27Å; F22-V67 HydrophobicContact CD2-CB 4.37Å; F22-V67 HydrophobicContact CD2-CG1 4.05Å; F22-V67 HydrophobicContact CD2-CG2 4.44Å; F22-V67 HydrophobicContact CE2-CG1 3.93Å; F22-V67 HydrophobicContact CG-CG2 4.19Å; F22-V67 HydrophobicContact CZ-CG1 4.31Å; L63-V67 HydrophobicContact CB-CG2 4.2Å; L63-V67 WeakPolarHBondContact O-CG2 3.41Å; L63-V67 PolarHBondContact O-N 2.8Å; V67-R69 PolarHBondContact O-N 3.33Å; V67-R69 VanDerWaalsContact O-N 3.14Å; V67-C70 PolarHBondContact O-N 3.13Å; V67-F71 HydrophobicContact CB-CD2 4.34Å; V67-F71 HydrophobicContact CG1-CD2 3.51Å; V67-F71 HydrophobicContact CG1-CE2 3.84Å; V67-F71 VanDerWaalsContact O-CD2 3.23Å; V67-F71 WeakPolarHBondContact O-CD2 3.36Å; V67-F71 PolarHBondContact O-N 3.4Å
68N71.8Confident66.9Low64 Ų6468.3 Ų68.334%0.34237%0.37SS..Hα-helixtrans-58.4-34.8-178.7-71.2-9.8000113.2T64 N72T64-N68 VanDerWaalsContact O-CB 3.29Å; T64-N68 WeakPolarHBondContact O-CB 3.18Å; T64-N68 PolarHBondContact O-N 3.09Å; T64-N68 PolarHBondContact O-ND2 3.38Å; N68-N72 VanDerWaalsContact O-CB 3.23Å; N68-N72 WeakPolarHBondContact O-CB 3.45Å; N68-N72 PolarHBondContact O-N 3.24Å
69R69.4Low64.5Low190 Ų19075.7 Ų75.772%0.71741%0.406SS*.Hα-helixtrans-69.3-38.7174.1-79-179.7178.6-179.5-0.3113T65 V66 V67 A73T65-R69 WeakPolarHBondContact O-CB 3.34Å; T65-R69 WeakPolarHBondContact O-CG 3.37Å; T65-R69 PolarHBondContact O-N 3.25Å; V66-R69 PolarHBondContact O-N 3.47Å; V67-R69 PolarHBondContact O-N 3.33Å; V67-R69 VanDerWaalsContact O-N 3.14Å; R69-A73 WeakPolarHBondContact O-CB 3.44Å
70C64.9Low62.3Low46 Ų4681.7 Ų81.731%0.31144%0.443SS..Hα-helixtrans-74.2-30.6179.9-68.20000113.3V66 V67 P134V66-C70 PolarHBondContact O-N 3.38Å; V66-C70 PolarHBondContact O-SG 2.88Å; V67-C70 PolarHBondContact O-N 3.13Å; C70-P134 HydrophobicContact CB-CB 4.45Å; C70-P134 HydrophobicContact CB-CG 4Å
71F61.3Low60.1Low71 Ų7185 Ų8531%0.31146%0.458SS..Hα-helixtrans-102.6-21.6-173.3-70.8-84.9000114.5L17 V67 P134 F136L17-F71 HydrophobicContact CD1-CD1 3.49Å; L17-F71 VanDerWaalsContact CD1-CD1 3.49Å; L17-F71 HydrophobicContact CD1-CE1 3.45Å; L17-F71 VanDerWaalsContact CD1-CE1 3.45Å; L17-F71 HydrophobicContact CD1-CG 4.21Å; L17-F71 HydrophobicContact CD1-CZ 4.15Å; L17-F71 HydrophobicContact CD2-CD1 3.93Å; L17-F71 HydrophobicContact CD2-CD2 3.77Å; L17-F71 HydrophobicContact CD2-CE1 3.66Å; L17-F71 HydrophobicContact CD2-CE2 3.51Å; L17-F71 HydrophobicContact CD2-CG 4.01Å; L17-F71 HydrophobicContact CD2-CZ 3.46Å; L17-F71 VanDerWaalsContact CD2-CZ 3.46Å; L17-F71 HydrophobicContact CG-CD1 4.27Å; L17-F71 HydrophobicContact CG-CE1 4.2Å; L17-F71 HydrophobicContact CG-CZ 4.46Å; V67-F71 HydrophobicContact CB-CD2 4.34Å; V67-F71 HydrophobicContact CG1-CD2 3.51Å; V67-F71 HydrophobicContact CG1-CE2 3.84Å; V67-F71 VanDerWaalsContact O-CD2 3.23Å; V67-F71 WeakPolarHBondContact O-CD2 3.36Å; V67-F71 PolarHBondContact O-N 3.4Å; F71-P134 HydrophobicContact CE2-CB 4.49Å; F71-P134 HydrophobicContact CZ-CB 4.35Å; F71-F136 HydrophobicContact CD1-CD1 4.49Å; F71-F136 AromaticContact CD1-CE1 3.28Å; F71-F136 HydrophobicContact CD1-CE1 3.28Å; F71-F136 AromaticContact CD1-CZ 3.46Å; F71-F136 HydrophobicContact CD1-CZ 3.46Å; F71-F136 VanDerWaalsContact CD1-CZ 3.46Å; F71-F136 HydrophobicContact CE1-CD1 4.08Å; F71-F136 AromaticContact CE1-CE1 3.13Å; F71-F136 HydrophobicContact CE1-CE1 3.13Å; F71-F136 HydrophobicContact CE1-CE2 4.49Å; F71-F136 AromaticContact CE1-CZ 3.38Å; F71-F136 HydrophobicContact CE1-CZ 3.38Å; F71-F136 HydrophobicContact CG-CE1 4.38Å; F71-F136 HydrophobicContact CG-CZ 4.2Å; F71-F136 HydrophobicContact CZ-CE1 4.15Å; F71-F136 HydrophobicContact CZ-CZ 4.05Å
72N59Low57.9Low125 Ų12587.4 Ų87.467%0.66847%0.474SS*.SBendtrans-104.62.5176.6-62.6-30.8000114.1N68N68-N72 VanDerWaalsContact O-CB 3.23Å; N68-N72 WeakPolarHBondContact O-CB 3.45Å; N68-N72 PolarHBondContact O-N 3.24Å
73A50.3Low55.7Low33 Ų3391.3 Ų91.327%0.27350%0.495SS..SBendtrans-69139.817000000109.2R69 E77R69-A73 WeakPolarHBondContact O-CB 3.44Å; A73-E77 HydrophobicContact CB-CB 4.26Å
74D49.7Very low53.9Low117 Ų11797 Ų9763%0.62653%0.525SS*.  trans-51.4143.3173-101.5-40.7000109.5D76 E77 S78D74-D76 PolarHBondContact O-N 3.49Å; D74-E77 CarbonylContact O-C 3.51Å; D74-E77 WeakPolarHBondContact O-CA 3.24Å; D74-E77 PolarHBondContact O-N 3.48Å; D74-S78 PolarHBondContact O-N 2.89Å
75P48.5Very low52.3Low98 Ų98101.3 Ų101.364%0.63654%0.544SS*.THydrogen-bonded Turntrans-55.4-26.3179.319.2-29.6000112.5S78P75-S78 WeakPolarHBondContact O-CB 3.39Å; P75-S78 PolarHBondContact O-N 3.1Å; P75-S78 PolarHBondContact O-OG 3.19Å
76D47.8Very low50.9Low151 Ų15199.7 Ų99.781%0.80753%0.53SS*.THydrogen-bonded Turntrans-74.6-28.6173.3-69.5-22.8000113.5D74D74-D76 PolarHBondContact O-N 3.49Å
77E47.8Very low49.6Very low154 Ų154104 Ų10472%0.7255%0.547SS*.THydrogen-bonded Turntrans-85-12.9170.7-76.3-163.7166.500113.1A73 D74 M79A73-E77 HydrophobicContact CB-CB 4.26Å; D74-E77 CarbonylContact O-C 3.51Å; D74-E77 WeakPolarHBondContact O-CA 3.24Å; D74-E77 PolarHBondContact O-N 3.48Å; E77-M79 PolarHBondContact O-N 3.04Å
78S42.4Very low48.5Very low76 Ų76111.3 Ų111.353%0.53158%0.58SS.*  trans-67.512.5170.884.20000113.6D74 P75 V80D74-S78 PolarHBondContact O-N 2.89Å; P75-S78 WeakPolarHBondContact O-CB 3.39Å; P75-S78 PolarHBondContact O-N 3.1Å; P75-S78 PolarHBondContact O-OG 3.19Å; S78-V80 PolarHBondContact O-N 3.09Å
79M35.7Very low47.8Very low160 Ų160116.2 Ų116.279%0.78859%0.593SS**  trans-33.7110.3169.5-143.4-177.7-167.200109.1E77 L81E77-M79 PolarHBondContact O-N 3.04Å; M79-L81 PolarHBondContact O-N 3.4Å
80V38.9Very low47.9Very low127 Ų127114.4 Ų114.477%0.7759%0.587SS**  trans-28.5101.9170.2178.40000108S78 T82S78-V80 PolarHBondContact O-N 3.09Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.42Å
81L36.9Very low48.4Very low79 Ų79114.6 Ų114.641%0.41458%0.584SS.*  trans-51.7110.3169.6-73.7168.9000104.2M79 L83 E85 M86M79-L81 PolarHBondContact O-N 3.4Å; L81-L83 PolarHBondContact O-N 3.27Å; L81-E85 HydrophobicContact CD2-CB 4.35Å; L81-E85 WeakPolarHBondContact CD2-OE2 3.38Å; L81-M86 HydrophobicContact CB-CG 3.94Å
82T36.8Very low49.4Very low81 Ų81112.2 Ų112.250%0.49757%0.574SS.*  trans-54.2145.6179.954.40000107.2V80 D84 E85 M86V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.42Å; T82-D84 PolarHBondContact O-N 3.43Å; T82-E85 PolarHBondContact O-N 3.15Å; T82-M86 PolarHBondContact O-N 2.98Å
83L37.5Very low50.5Low144 Ų144106.3 Ų106.375%0.75454%0.542SS*.Hα-helixtrans-49.3-30.6-176.4-136.285.4000111.9L81 M86 E87L81-L83 PolarHBondContact O-N 3.27Å; L83-M86 PolarHBondContact O-N 2.55Å; L83-E87 PolarHBondContact O-N 3.12Å
84D40.6Very low52Low133 Ų133105.6 Ų105.671%0.71154%0.535SS*.Hα-helixtrans-67.6-35.7176.6-68.8-13.8000113.6T82T82-D84 PolarHBondContact O-N 3.43Å
85E44.8Very low53.7Low108 Ų108101.7 Ų101.751%0.50551%0.514SS..Hα-helixtrans-76.1-24.7174.2-71.2-170.8155.700112.6L81 T82L81-E85 HydrophobicContact CD2-CB 4.35Å; L81-E85 WeakPolarHBondContact CD2-OE2 3.38Å; T82-E85 PolarHBondContact O-N 3.15Å
86M43Very low55.3Low64 Ų6498.2 Ų98.232%0.31549%0.49SS..Hα-helixtrans-71.9-32.9178.8-73.8-165.169.200113L81 T82 L83 E88 Q133L81-M86 HydrophobicContact CB-CG 3.94Å; T82-M86 PolarHBondContact O-N 2.98Å; L83-M86 PolarHBondContact O-N 2.55Å; M86-E88 PolarHBondContact O-N 3.08Å; M86-Q133 HydrophobicContact CE-CB 3.94Å; M86-Q133 HydrophobicContact CE-CG 3.68Å
87E44.3Very low56.8Low143 Ų14394.9 Ų94.967%0.66848%0.477SS*.Hα-helixtrans-67.4-23.1178.7-76-157.2143.100113L83L83-E87 PolarHBondContact O-N 3.12Å
88E46.6Very low58.1Low173 Ų17387.8 Ų87.881%0.80844%0.443SS*.Hα-helixtrans-90-14.9-173.5-71.6-165.4157.100115.6M86 R90M86-E88 PolarHBondContact O-N 3.08Å; E88-R90 PolarHBondContact O-N 3.22Å
89R58.4Low59.2Low167 Ų16789.6 Ų89.663%0.6345%0.447SS*.  trans-96.858.1179.7-64.2-163.9-170.21778.9113.6
90R70.3Confident60.5Low152 Ų15288.9 Ų88.957%0.57445%0.447SS*.PPolyproline II helixtrans-79.4124.4166.2-60.7-176.3178.11722.2109.1E88 W129 T131E88-R90 PolarHBondContact O-N 3.22Å; R90-W129 HydrophobicContact CB-CD2 4.44Å; R90-W129 HydrophobicContact CB-CE3 3.54Å; R90-W129 HydrophobicContact CB-CZ3 3.98Å; R90-W129 WeakPolarHBondContact O-CZ3 3.32Å; R90-T131 HydrophobicContact CG-CG2 3.88Å
91I76.7Confident61.8Low51 Ų5185.6 Ų85.626%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-97.8118.7177.5-56.5170.8000108.1L61 V93 L130 L132L61-I91 HydrophobicContact CD1-CG2 4.01Å; L61-I91 HydrophobicContact CD2-CB 4.49Å; L61-I91 HydrophobicContact CD2-CD1 4.32Å; L61-I91 HydrophobicContact CD2-CG2 3.86Å; I91-V93 HydrophobicContact CG2-CG2 4.43Å; I91-L130 PolarHBondContact N-O 3.23Å; I91-L130 PolarHBondContact O-N 3.29Å; I91-L132 HydrophobicContact CD1-CD1 4.47Å
92F82Confident63.4Low20 Ų2083 Ų839%0.08841%0.413CS..EExtended strand (participates in β ladder)trans-78.3124.8171.2-173.1-109.9000110.5P94 I121 E122 F128 W129F92-P94 HydrophobicContact CE1-CB 4.24Å; F92-I121 HydrophobicContact CE1-CG2 4.32Å; F92-E122 HydrophobicContact CB-CG 3.86Å; F92-E122 WeakPolarHBondContact CB-OE1 3.44Å; F92-E122 HydrophobicContact CD1-CB 4.43Å; F92-E122 HydrophobicContact CD1-CG 3.51Å; F92-E122 HydrophobicContact CE1-CG 4.26Å; F92-E122 HydrophobicContact CG-CG 3.85Å; F92-F128 CarbonylContact C-O 3.52Å; F92-F128 WeakPolarHBondContact CA-O 3.35Å; F92-W129 HydrophobicContact CB-CD2 4.28Å; F92-W129 HydrophobicContact CB-CE3 3.87Å; F92-W129 HydrophobicContact CB-CH2 3.77Å; F92-W129 HydrophobicContact CB-CZ2 4.15Å; F92-W129 HydrophobicContact CB-CZ3 3.63Å; F92-W129 AromaticContact CD2-CD2 3.98Å; F92-W129 HydrophobicContact CD2-CD2 3.98Å; F92-W129 AromaticContact CD2-CE2 3.68Å; F92-W129 HydrophobicContact CD2-CE3 4.42Å; F92-W129 HydrophobicContact CD2-CG 4.39Å; F92-W129 HydrophobicContact CD2-CH2 4.43Å; F92-W129 AromaticContact CD2-CZ2 3.93Å; F92-W129 HydrophobicContact CD2-CZ2 3.93Å; F92-W129 AromaticContact CD2-NE1 3.87Å; F92-W129 HydrophobicContact CG-CH2 4.42Å; F92-W129 HydrophobicContact CG-CZ2 4.32Å
93V81Confident65.2Low1 Ų179.7 Ų79.71%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-110.9109.1177.5-170.40000108.9F26 A59 L61 I91 G127 F128 L130F26-V93 HydrophobicContact CD2-CG1 4.15Å; F26-V93 HydrophobicContact CE2-CG1 4.2Å; F26-V93 HydrophobicContact CE2-CG2 4.34Å; A59-V93 HydrophobicContact CB-CG1 3.71Å; L61-V93 HydrophobicContact CB-CG1 4.32Å; L61-V93 HydrophobicContact CB-CG2 4.17Å; L61-V93 HydrophobicContact CD2-CG2 3.85Å; L61-V93 HydrophobicContact CG-CG2 4.43Å; I91-V93 HydrophobicContact CG2-CG2 4.43Å; V93-G127 CarbonylContact O-C 3.53Å; V93-G127 WeakPolarHBondContact O-CA 3.36Å; V93-F128 PolarHBondContact N-O 3.24Å; V93-F128 PolarHBondContact O-N 3.21Å; V93-L130 HydrophobicContact CG2-CB 4.35Å
94P82.6Confident67Low19 Ų1974 Ų7412%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-72.6131-175.628.1-34.2000112.1A59 F92 N96 I121A59-P94 WeakPolarHBondContact CB-O 3.48Å; F92-P94 HydrophobicContact CE1-CB 4.24Å; P94-N96 PolarHBondContact O-ND2 2.76Å; P94-I121 HydrophobicContact CB-CB 4.16Å; P94-I121 HydrophobicContact CB-CD1 3.89Å; P94-I121 HydrophobicContact CB-CG2 3.55Å; P94-I121 HydrophobicContact CG-CD1 4.05Å
95L84.4Confident68.7Low34 Ų3472.2 Ų72.218%0.17835%0.351CS..PPolyproline II helixtrans-78.6123.1173.7-87.6152.1000110.2A28 A57 D126 F128A28-L95 HydrophobicContact CB-CD2 3.82Å; A57-L95 HydrophobicContact CB-CB 4.39Å; A57-L95 HydrophobicContact CB-CD2 3.76Å; L95-D126 WeakPolarHBondContact CB-O 3.48Å; L95-D126 HydrophobicContact CD1-CB 4.49Å; L95-D126 PolarHBondContact N-O 2.77Å; L95-F128 HydrophobicContact CD1-CD2 4.13Å; L95-F128 HydrophobicContact CD1-CE1 4.18Å; L95-F128 HydrophobicContact CD1-CE2 3.62Å; L95-F128 HydrophobicContact CD1-CZ 3.65Å; L95-F128 HydrophobicContact CD2-CD2 4.48Å; L95-F128 HydrophobicContact CD2-CE2 3.55Å; L95-F128 HydrophobicContact CD2-CZ 3.95Å; L95-F128 HydrophobicContact CG-CD2 4.07Å; L95-F128 HydrophobicContact CG-CE2 3.56Å; L95-F128 HydrophobicContact CG-CZ 4.07Å
96N82.3Confident70.4Confident26 Ų2667.3 Ų67.314%0.13933%0.328CS..EExtended strand (participates in β ladder)trans-100.4118178.8-67.1-87000110.3A57 V58 P94 V106A57-N96 CarbonylContact C-O 3.53Å; A57-N96 WeakPolarHBondContact CA-O 3.37Å; A57-N96 WeakPolarHBondContact CB-O 3.4Å; V58-N96 PolarHBondContact N-O 3.34Å; V58-N96 WeakPolarHBondContact O-CA 3.38Å; V58-N96 WeakPolarHBondContact O-CB 3.35Å; V58-N96 PolarHBondContact O-N 2.68Å; P94-N96 PolarHBondContact O-ND2 2.76Å; N96-V106 HydrophobicContact CB-CG1 3.82Å
97P79.9Confident72.2Confident81 Ų8165.8 Ų65.853%0.52632%0.321SS..EExtended strand (participates in β ladder)trans-67.5141.717628.1-33.5000111.4N99P97-N99 PolarHBondContact O-N 3.49Å; P97-N99 VanDerWaalsContact O-N 3.12Å
98L74.7Confident73.8Confident4 Ų465.8 Ų65.82%0.02132%0.315CS..  trans-84.355.5-170-86.6164.8000115R37 T55 F56 V58 D100 D101 A103 V106R37-L98 PolarHBondContact NH1-O 3.02Å; R37-L98 VanDerWaalsContact NH2-CB 3.3Å; R37-L98 PolarHBondContact NH2-O 3.42Å; T55-L98 HydrophobicContact CG2-CD1 3.67Å; F56-L98 PolarHBondContact O-N 3.47Å; V58-L98 HydrophobicContact CG1-CD1 3.98Å; V58-L98 HydrophobicContact CG1-CG 4.43Å; V58-L98 HydrophobicContact CG2-CD2 4.16Å; V58-L98 HydrophobicContact CG2-CG 4.31Å; L98-D100 PolarHBondContact O-N 2.87Å; L98-D101 WeakPolarHBondContact CD2-O 3.31Å; L98-A103 HydrophobicContact CD1-CB 4.48Å; L98-A103 VanDerWaalsContact CD2-CA 3.49Å; L98-A103 HydrophobicContact CD2-CB 4.23Å; L98-V106 HydrophobicContact CD2-CB 4.06Å; L98-V106 HydrophobicContact CD2-CG2 3.51Å
99N66.5Low75.5Confident115 Ų11562.1 Ų62.162%0.61529%0.294SS*.SBendtrans-62.990.8-170.1-59.4-18.5000115P97 D101P97-N99 PolarHBondContact O-N 3.49Å; P97-N99 VanDerWaalsContact O-N 3.12Å; N99-D101 PolarHBondContact O-N 2.72Å
100D62.8Low76.5Confident145 Ų14555.1 Ų55.178%0.77527%0.27SS*.SBendtrans54.1-14.8-171.3-60.5-20.3000118.2R37 L98R37-D100 IonicContact NH1-OD1 3.47Å; L98-D100 PolarHBondContact O-N 2.87Å
101D66.1Low76.7Confident58 Ų5850.3 Ų50.331%0.3126%0.255SS..SBendtrans-69.1147.1173.2-68.3-49.4000112.2L98 N99 V106 R109L98-D101 WeakPolarHBondContact CD2-O 3.31Å; N99-D101 PolarHBondContact O-N 2.72Å; D101-V106 HydrophobicContact CB-CG2 3.82Å; D101-R109 VanDerWaalsContact CG-NH2 3.31Å; D101-R109 IonicContact OD2-CZ 2.65Å; D101-R109 IonicContact OD2-NH1 2.81Å; D101-R109 PolarHBondContact OD2-NH1 3.37Å; D101-R109 IonicContact OD2-NH2 2.72Å; D101-R109 PolarHBondContact OD2-NH2 3.27Å
102S70.5Confident76.7Confident25 Ų2553.1 Ų53.118%0.17527%0.267CS..  trans-66.2150.5170.663.70000111.3E104 Q105 V106S102-E104 PolarHBondContact O-N 3.4Å; S102-Q105 PolarHBondContact O-N 2.85Å; S102-Q105 WeakPolarHBondContact OG-CB 3.3Å; S102-Q105 VanDerWaalsContact OG-CG 3.22Å; S102-Q105 WeakPolarHBondContact OG-CG 3.4Å; S102-Q105 PolarHBondContact OG-N 3.17Å; S102-Q105 PolarHBondContact OG-OE1 3.28Å; S102-V106 PolarHBondContact O-N 3.21Å; S102-V106 VanDerWaalsContact O-N 3.13Å
103A73.8Confident76.1Confident11 Ų1155 Ų559%0.09129%0.291CS..Hα-helixtrans-51.2-43.3174.900000111.8V58 L98 Q105 V106 L107V58-A103 HydrophobicContact CG1-CB 4.12Å; L98-A103 HydrophobicContact CD1-CB 4.48Å; L98-A103 VanDerWaalsContact CD2-CA 3.49Å; L98-A103 HydrophobicContact CD2-CB 4.23Å; A103-Q105 PolarHBondContact O-N 3.2Å; A103-V106 PolarHBondContact O-N 2.95Å; A103-L107 WeakPolarHBondContact O-CB 3.36Å; A103-L107 WeakPolarHBondContact O-CG 3.41Å; A103-L107 PolarHBondContact O-N 3.3Å
104E75.3Confident75.5Confident25 Ų2562 Ų6212%0.11732%0.322CS..Hα-helixtrans-57.1-47.3175.8-174.1-169.1-165.800113.1S102 L107 R108 R239 F241S102-E104 PolarHBondContact O-N 3.4Å; E104-L107 PolarHBondContact O-N 3.31Å; E104-R108 WeakPolarHBondContact O-CG 3.17Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 IonicContact OE1-CZ 2.72Å; E104-R108 VanDerWaalsContact OE1-CZ 3.28Å; E104-R108 IonicContact OE1-NE 3.6Å; E104-R108 PolarHBondContact OE1-NE 3.38Å; E104-R108 IonicContact OE1-NH2 3.29Å; E104-R108 PolarHBondContact OE1-NH2 2.88Å; E104-R239 IonicContact OE2-NH1 3.17Å; E104-R239 PolarHBondContact OE2-NH1 3.19Å; E104-R239 VanDerWaalsContact OE2-NH1 3.09Å; E104-F241 HydrophobicContact CB-CD2 3.72Å; E104-F241 HydrophobicContact CB-CE2 3.47Å; E104-F241 VanDerWaalsContact CB-CE2 3.47Å; E104-F241 HydrophobicContact CB-CG 4.38Å; E104-F241 HydrophobicContact CB-CZ 3.98Å; E104-F241 HydrophobicContact CG-CD2 4.34Å; E104-F241 HydrophobicContact CG-CE1 4.21Å; E104-F241 HydrophobicContact CG-CE2 3.76Å; E104-F241 HydrophobicContact CG-CZ 3.72Å; E104-F241 VanDerWaalsContact OE1-CZ 3.3Å; E104-F241 WeakPolarHBondContact OE1-CZ 3.47Å; E104-F241 WeakPolarHBondContact OE2-CE2 3.21Å; E104-F241 WeakPolarHBondContact OE2-CZ 3.38Å
105Q77.5Confident74.5Confident94 Ų9463.4 Ų63.444%0.43933%0.33SS..Hα-helixtrans-66-38.8-178.6-76.2164.1-39.200112.1S102 A103 R109S102-Q105 PolarHBondContact O-N 2.85Å; S102-Q105 WeakPolarHBondContact OG-CB 3.3Å; S102-Q105 VanDerWaalsContact OG-CG 3.22Å; S102-Q105 WeakPolarHBondContact OG-CG 3.4Å; S102-Q105 PolarHBondContact OG-N 3.17Å; S102-Q105 PolarHBondContact OG-OE1 3.28Å; A103-Q105 PolarHBondContact O-N 3.2Å; Q105-R109 WeakPolarHBondContact O-CG 3.2Å; Q105-R109 PolarHBondContact O-N 3.41Å; Q105-R109 VanDerWaalsContact O-N 3.15Å
106V79.8Confident73.1Confident6 Ų665 Ų654%0.03635%0.349CS..Hα-helixtrans-65.5-49.3174-179.50000110.1V58 N96 L98 D101 S102 A103 R108 R109 V110V58-V106 HydrophobicContact CG2-CB 3.77Å; V58-V106 HydrophobicContact CG2-CG1 3.49Å; V58-V106 VanDerWaalsContact CG2-CG1 3.49Å; N96-V106 HydrophobicContact CB-CG1 3.82Å; L98-V106 HydrophobicContact CD2-CB 4.06Å; L98-V106 HydrophobicContact CD2-CG2 3.51Å; D101-V106 HydrophobicContact CB-CG2 3.82Å; S102-V106 PolarHBondContact O-N 3.21Å; S102-V106 VanDerWaalsContact O-N 3.13Å; A103-V106 PolarHBondContact O-N 2.95Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 3.45Å; V106-R109 PolarHBondContact O-N 2.87Å; V106-R109 VanDerWaalsContact O-N 3.11Å; V106-V110 HydrophobicContact CG1-CG2 4.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 3.25Å
107L81Confident71.7Confident31 Ų3166.7 Ų66.716%0.16236%0.362CS..Hα-helixtrans-57.5-44.9179.3-71.5175000112F25 V58 A60 A103 E104 R109 V110 I111F25-L107 HydrophobicContact CD1-CD1 4.22Å; F25-L107 HydrophobicContact CD1-CD2 3.67Å; F25-L107 HydrophobicContact CD1-CG 4.39Å; F25-L107 HydrophobicContact CE1-CD2 4.28Å; F25-L107 HydrophobicContact CG-CD1 4.49Å; F25-L107 HydrophobicContact CG-CD2 4.47Å; V58-L107 HydrophobicContact CB-CD2 3.93Å; V58-L107 HydrophobicContact CB-CG 4.31Å; V58-L107 HydrophobicContact CG2-CD2 4.07Å; V58-L107 HydrophobicContact CG2-CG 4.18Å; A60-L107 HydrophobicContact CB-CD2 3.95Å; A103-L107 WeakPolarHBondContact O-CB 3.36Å; A103-L107 WeakPolarHBondContact O-CG 3.41Å; A103-L107 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.31Å; L107-R109 PolarHBondContact O-N 2.93Å; L107-V110 PolarHBondContact O-N 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 3.2Å
108R78.7Confident70.5Confident143 Ų14366.2 Ų66.254%0.5436%0.358SS..Hα-helixtrans-60.4-43.7175.2-73.9-174.1-171-168.42.4112.3E104 V106 V110 I111 E112E104-R108 WeakPolarHBondContact O-CG 3.17Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 IonicContact OE1-CZ 2.72Å; E104-R108 VanDerWaalsContact OE1-CZ 3.28Å; E104-R108 IonicContact OE1-NE 3.6Å; E104-R108 PolarHBondContact OE1-NE 3.38Å; E104-R108 IonicContact OE1-NH2 3.29Å; E104-R108 PolarHBondContact OE1-NH2 2.88Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 3.45Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 2.71Å; R108-I111 PolarHBondContact O-N 3.47Å; R108-E112 VanDerWaalsContact O-CB 3.32Å; R108-E112 WeakPolarHBondContact O-CB 3.16Å; R108-E112 VanDerWaalsContact O-CG 3.23Å; R108-E112 WeakPolarHBondContact O-CG 3.35Å; R108-E112 PolarHBondContact O-N 2.86Å
109R82.1Confident69.4Low96 Ų9672.2 Ų72.236%0.36239%0.39SS..Hα-helixtrans-63.4-37.4176.9-76.3-174.5-63.3-175.20.8112.7D101 Q105 V106 L107 G113 K114D101-R109 VanDerWaalsContact CG-NH2 3.31Å; D101-R109 IonicContact OD2-CZ 2.65Å; D101-R109 IonicContact OD2-NH1 2.81Å; D101-R109 PolarHBondContact OD2-NH1 3.37Å; D101-R109 IonicContact OD2-NH2 2.72Å; D101-R109 PolarHBondContact OD2-NH2 3.27Å; Q105-R109 WeakPolarHBondContact O-CG 3.2Å; Q105-R109 PolarHBondContact O-N 3.41Å; Q105-R109 VanDerWaalsContact O-N 3.15Å; V106-R109 PolarHBondContact O-N 2.87Å; V106-R109 VanDerWaalsContact O-N 3.11Å; L107-R109 PolarHBondContact O-N 2.93Å; R109-G113 PolarHBondContact O-N 3.36Å; R109-K114 HydrophobicContact CB-CB 4.33Å; R109-K114 PolarHBondContact O-N 3.03Å
110V77.8Confident68.7Low21 Ų2172.4 Ų72.413%0.12739%0.391CS..Hα-helixtrans-65.7-48.1176.4177.90000110.5A60 V106 L107 R108 E112 G113 T115A60-V110 HydrophobicContact CB-CB 4.2Å; A60-V110 HydrophobicContact CB-CG1 3.78Å; V106-V110 HydrophobicContact CG1-CG2 4.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 3.25Å; L107-V110 PolarHBondContact O-N 3.47Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 2.71Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 3.3Å; V110-G113 PolarHBondContact O-N 2.94Å; V110-T115 HydrophobicContact CG2-CG2 3.83Å
111I74.8Confident68.2Low50 Ų5067 Ų6726%0.25636%0.362SS..Hα-helixtrans-63.7-36.8178.3-60.7164.7000111.7F25 A60 L107 R108 G113F25-I111 HydrophobicContact CE1-CD1 3.45Å; F25-I111 VanDerWaalsContact CE1-CD1 3.45Å; F25-I111 HydrophobicContact CE1-CG1 3.99Å; F25-I111 HydrophobicContact CZ-CD1 3.55Å; F25-I111 HydrophobicContact CZ-CG1 4.46Å; A60-I111 HydrophobicContact CB-CG1 4.15Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 3.2Å; R108-I111 PolarHBondContact O-N 3.47Å; I111-G113 PolarHBondContact O-N 2.99Å
112E77Confident67.6Low111 Ų11168.8 Ų68.852%0.51937%0.368SS..THydrogen-bonded Turntrans-74.90.1176.3-70.9173.2-175.400113.3R108 V110 K114R108-E112 VanDerWaalsContact O-CB 3.32Å; R108-E112 WeakPolarHBondContact O-CB 3.16Å; R108-E112 VanDerWaalsContact O-CG 3.23Å; R108-E112 WeakPolarHBondContact O-CG 3.35Å; R108-E112 PolarHBondContact O-N 2.86Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 3.3Å; E112-K114 VanDerWaalsContact C-N 3.26Å; E112-K114 HydrophobicContact CB-CD 4.19Å; E112-K114 HydrophobicContact CB-CG 4.13Å; E112-K114 PolarHBondContact O-N 3.48Å; E112-K114 WeakPolarHBondContact OE2-CD 3.29Å; E112-K114 WeakPolarHBondContact OE2-CE 3.36Å; E112-K114 IonicContact OE2-NZ 2.85Å; E112-K114 PolarHBondContact OE2-NZ 2.99Å
113G70.4Confident66.9Low58 Ų5871.6 Ų71.660%0.59839%0.392SS*.THydrogen-bonded Turntrans6821.6179.800000114.1R109 V110 I111 T115R109-G113 PolarHBondContact O-N 3.36Å; V110-G113 PolarHBondContact O-N 2.94Å; I111-G113 PolarHBondContact O-N 2.99Å; G113-T115 VanDerWaalsContact C-N 3.29Å; G113-T115 PolarHBondContact O-N 3.28Å
114K67.3Low66Low148 Ų14880.7 Ų80.764%0.64343%0.43SS*.  trans-86.14.2-178.3-67.7177.6177.9165.20113.7R109 E112R109-K114 HydrophobicContact CB-CB 4.33Å; R109-K114 PolarHBondContact O-N 3.03Å; E112-K114 VanDerWaalsContact C-N 3.26Å; E112-K114 HydrophobicContact CB-CD 4.19Å; E112-K114 HydrophobicContact CB-CG 4.13Å; E112-K114 PolarHBondContact O-N 3.48Å; E112-K114 WeakPolarHBondContact OE2-CD 3.29Å; E112-K114 WeakPolarHBondContact OE2-CE 3.36Å; E112-K114 IonicContact OE2-NZ 2.85Å; E112-K114 PolarHBondContact OE2-NZ 2.99Å
115T61.4Low65.4Low50 Ų5081 Ų8131%0.30744%0.44SS..SBendtrans-98.3161175.150.80000110.9V110 G113V110-T115 HydrophobicContact CG2-CG2 3.83Å; G113-T115 VanDerWaalsContact C-N 3.29Å; G113-T115 PolarHBondContact O-N 3.28Å
116A56.1Low65.4Low68 Ų6883 Ų8356%0.56245%0.453SS*.PPolyproline II helixtrans-53.8152.7-177.900000112.7I121A116-I121 HydrophobicContact CB-CD1 4.34Å
117S53.3Low65.4Low60 Ų6084 Ų8442%0.4247%0.465SS..PPolyproline II helixtrans-59.5141.4-17693.70000111.3N119 D120S117-N119 PolarHBondContact O-N 3.44Å; S117-N119 VanDerWaalsContact O-N 3.16Å; S117-D120 PolarHBondContact O-N 3.4Å; S117-D120 VanDerWaalsContact O-N 3.08Å; S117-D120 PolarHBondContact OG-OD2 3.41Å
118V53.7Low65.2Low72 Ų7286.2 Ų86.244%0.43647%0.474SS..Hα-helixtrans-53.7-37.3-179.1177.70000111.5D120 I121 E122V118-D120 VanDerWaalsContact C-N 3.33Å; V118-D120 PolarHBondContact O-N 3.06Å; V118-I121 PolarHBondContact O-N 3.33Å; V118-I121 VanDerWaalsContact O-N 3.08Å; V118-E122 PolarHBondContact O-N 3.48Å
119N52.1Low65.4Low129 Ų12986.8 Ų86.869%0.6948%0.476SS*.Hα-helixtrans-64.4-33.5-178.5-67.62000113.1S117 I121S117-N119 PolarHBondContact O-N 3.44Å; S117-N119 VanDerWaalsContact O-N 3.16Å; N119-I121 VanDerWaalsContact C-N 3.29Å
120D50.9Low65.2Low120 Ų12083.6 Ų83.664%0.64247%0.466SS*.Hα-helixtrans-73.8-25.6176.8-67.4-50.9000111.8S117 V118S117-D120 PolarHBondContact O-N 3.4Å; S117-D120 VanDerWaalsContact O-N 3.08Å; S117-D120 PolarHBondContact OG-OD2 3.41Å; V118-D120 VanDerWaalsContact C-N 3.33Å; V118-D120 PolarHBondContact O-N 3.06Å
121I53Low65.2Low32 Ų3287.1 Ų87.116%0.16449%0.487CS..Hα-helixtrans-89-35.8-175.2-51.7170.3000111.6F92 P94 A116 V118 N119 A123 K124 G125F92-I121 HydrophobicContact CE1-CG2 4.32Å; P94-I121 HydrophobicContact CB-CB 4.16Å; P94-I121 HydrophobicContact CB-CD1 3.89Å; P94-I121 HydrophobicContact CB-CG2 3.55Å; P94-I121 HydrophobicContact CG-CD1 4.05Å; A116-I121 HydrophobicContact CB-CD1 4.34Å; V118-I121 PolarHBondContact O-N 3.33Å; V118-I121 VanDerWaalsContact O-N 3.08Å; N119-I121 VanDerWaalsContact C-N 3.29Å; I121-A123 PolarHBondContact O-N 3.13Å; I121-A123 VanDerWaalsContact O-N 3.13Å; I121-K124 PolarHBondContact O-N 3.47Å; I121-K124 VanDerWaalsContact O-N 3.14Å; I121-G125 WeakPolarHBondContact O-CA 3.43Å; I121-G125 PolarHBondContact O-N 3.18Å
122E54.3Low65.2Low95 Ų9588.1 Ų88.144%0.44449%0.493SS..Hα-helixtrans-53.9-35.6177-91.4-170.9163.600113F92 V118 K124F92-E122 HydrophobicContact CB-CG 3.86Å; F92-E122 WeakPolarHBondContact CB-OE1 3.44Å; F92-E122 HydrophobicContact CD1-CB 4.43Å; F92-E122 HydrophobicContact CD1-CG 3.51Å; F92-E122 HydrophobicContact CE1-CG 4.26Å; F92-E122 HydrophobicContact CG-CG 3.85Å; V118-E122 PolarHBondContact O-N 3.48Å; E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.95Å
123A54.4Low65.2Low83 Ų8387 Ų8769%0.68649%0.488SS*.THydrogen-bonded Turntrans-72.2-22.4-176.200000114.2I121I121-A123 PolarHBondContact O-N 3.13Å; I121-A123 VanDerWaalsContact O-N 3.13Å
124K56.2Low65.4Low202 Ų20286.9 Ų86.988%0.87848%0.476SS*.THydrogen-bonded Turntrans-150.5-2.1-170.8-69.9-170.4179.7175.50117I121 E122I121-K124 PolarHBondContact O-N 3.47Å; I121-K124 VanDerWaalsContact O-N 3.14Å; E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.95Å
125G62.2Low65.9Low31 Ų3182.5 Ų82.532%0.3246%0.46SS..  trans-98.6152.9-173.200000114.5I121I121-G125 WeakPolarHBondContact O-CA 3.43Å; I121-G125 PolarHBondContact O-N 3.18Å
126D76.4Confident66.5Low136 Ų13687 Ų8773%0.72748%0.475SS*.  trans-71.3141165.8-68.9-39.2000109.9L95L95-D126 WeakPolarHBondContact CB-O 3.48Å; L95-D126 HydrophobicContact CD1-CB 4.49Å; L95-D126 PolarHBondContact N-O 2.77Å
127G80Confident67.5Low27 Ų2786.1 Ų86.128%0.27846%0.463SS..EExtended strand (participates in β ladder)trans-174.1-178.1-179.300000113.5V93V93-G127 CarbonylContact O-C 3.53Å; V93-G127 WeakPolarHBondContact O-CA 3.36Å
128F78.2Confident68.4Low79 Ų7986.2 Ų86.235%0.34646%0.463SS..EExtended strand (participates in β ladder)trans-114.8141.5177.8-55.4-72.8000110.8F26 F92 V93 L95F26-F128 HydrophobicContact CB-CD2 4.21Å; F26-F128 HydrophobicContact CB-CE2 3.84Å; F26-F128 HydrophobicContact CD1-CD2 4.3Å; F26-F128 HydrophobicContact CD1-CE2 4.43Å; F26-F128 HydrophobicContact CG-CD2 4.15Å; F26-F128 HydrophobicContact CG-CE2 4.23Å; F92-F128 CarbonylContact C-O 3.52Å; F92-F128 WeakPolarHBondContact CA-O 3.35Å; V93-F128 PolarHBondContact N-O 3.24Å; V93-F128 PolarHBondContact O-N 3.21Å; L95-F128 HydrophobicContact CD1-CD2 4.13Å; L95-F128 HydrophobicContact CD1-CE1 4.18Å; L95-F128 HydrophobicContact CD1-CE2 3.62Å; L95-F128 HydrophobicContact CD1-CZ 3.65Å; L95-F128 HydrophobicContact CD2-CD2 4.48Å; L95-F128 HydrophobicContact CD2-CE2 3.55Å; L95-F128 HydrophobicContact CD2-CZ 3.95Å; L95-F128 HydrophobicContact CG-CD2 4.07Å; L95-F128 HydrophobicContact CG-CE2 3.56Å; L95-F128 HydrophobicContact CG-CZ 4.07Å
129W81.3Confident69.4Low155 Ų15585.2 Ų85.259%0.58746%0.455SS*.EExtended strand (participates in β ladder)trans-91.4123.5165.4-71.3100.6000109.2R90 F92R90-W129 HydrophobicContact CB-CD2 4.44Å; R90-W129 HydrophobicContact CB-CE3 3.54Å; R90-W129 HydrophobicContact CB-CZ3 3.98Å; R90-W129 WeakPolarHBondContact O-CZ3 3.32Å; F92-W129 HydrophobicContact CB-CD2 4.28Å; F92-W129 HydrophobicContact CB-CE3 3.87Å; F92-W129 HydrophobicContact CB-CH2 3.77Å; F92-W129 HydrophobicContact CB-CZ2 4.15Å; F92-W129 HydrophobicContact CB-CZ3 3.63Å; F92-W129 AromaticContact CD2-CD2 3.98Å; F92-W129 HydrophobicContact CD2-CD2 3.98Å; F92-W129 AromaticContact CD2-CE2 3.68Å; F92-W129 HydrophobicContact CD2-CE3 4.42Å; F92-W129 HydrophobicContact CD2-CG 4.39Å; F92-W129 HydrophobicContact CD2-CH2 4.43Å; F92-W129 AromaticContact CD2-CZ2 3.93Å; F92-W129 HydrophobicContact CD2-CZ2 3.93Å; F92-W129 AromaticContact CD2-NE1 3.87Å; F92-W129 HydrophobicContact CG-CH2 4.42Å; F92-W129 HydrophobicContact CG-CZ2 4.32Å
130L78.4Confident70.6Confident29 Ų2986.3 Ų86.315%0.15246%0.456CS..EExtended strand (participates in β ladder)trans-113.2134.3-179.5-176.568.9000110.5I24 F26 L61 I91 V93 L132I24-L130 HydrophobicContact CD1-CD2 4.38Å; F26-L130 HydrophobicContact CZ-CD1 4.26Å; F26-L130 HydrophobicContact CZ-CD2 4.29Å; L61-L130 HydrophobicContact CD2-CD2 3.64Å; I91-L130 PolarHBondContact N-O 3.23Å; I91-L130 PolarHBondContact O-N 3.29Å; V93-L130 HydrophobicContact CG2-CB 4.35Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD1 3.85Å; L130-L132 HydrophobicContact CD2-CD2 4Å; L130-L132 HydrophobicContact CD2-CG 3.89Å; L130-L132 HydrophobicContact CG-CD1 4.44Å; L130-L132 HydrophobicContact CG-CD2 4.16Å; L130-L132 HydrophobicContact CG-CG 3.98Å
131T78.2Confident72Confident94 Ų9485.7 Ų85.758%0.57745%0.449SS*.  trans-117.5132.7168.250.80000108.5R90R90-T131 HydrophobicContact CG-CG2 3.88Å
132L75.6Confident73.3Confident72 Ų7284.4 Ų84.438%0.37744%0.443SS..  trans-123.1134.6-177.8-67.5167.1000109.9I24 L63 I91 L130I24-L132 HydrophobicContact CD1-CD2 4.19Å; L63-L132 HydrophobicContact CD1-CD1 3.57Å; L63-L132 HydrophobicContact CD1-CD2 4.42Å; L63-L132 HydrophobicContact CD2-CD1 3.33Å; L63-L132 HydrophobicContact CG-CD1 4.11Å; I91-L132 HydrophobicContact CD1-CD1 4.47Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD1 3.85Å; L130-L132 HydrophobicContact CD2-CD2 4Å; L130-L132 HydrophobicContact CD2-CG 3.89Å; L130-L132 HydrophobicContact CG-CD1 4.44Å; L130-L132 HydrophobicContact CG-CD2 4.16Å; L130-L132 HydrophobicContact CG-CG 3.98Å
133Q76.9Confident74.4Confident88 Ų8885 Ų8541%0.41144%0.444SS..  trans-133.5114.5177.9-176.1178.2-0.500109.3M86 L135M86-Q133 HydrophobicContact CE-CB 3.94Å; M86-Q133 HydrophobicContact CE-CG 3.68Å; Q133-L135 HydrophobicContact CG-CD2 4.09Å; Q133-L135 HydrophobicContact CG-CG 4.42Å
134P74.4Confident75.7Confident55 Ų5587.4 Ų87.436%0.35745%0.446SS..  trans-73.9139.6170.731.1-33.2000110.3C70 F71 F136C70-P134 HydrophobicContact CB-CB 4.45Å; C70-P134 HydrophobicContact CB-CG 4Å; F71-P134 HydrophobicContact CE2-CB 4.49Å; F71-P134 HydrophobicContact CZ-CB 4.35Å; P134-F136 HydrophobicContact CB-CE2 4.15Å
135L76.1Confident76.8Confident56 Ų5681.8 Ų81.829%0.29343%0.428SS..  trans-131.2118.1-179.1-64.1171.8000109.3L8 Q133 V137 L142 L149L8-L135 HydrophobicContact CD1-CD1 4.01Å; Q133-L135 HydrophobicContact CG-CD2 4.09Å; Q133-L135 HydrophobicContact CG-CG 4.42Å; L135-V137 HydrophobicContact CB-CG1 4.29Å; L135-V137 PolarHBondContact O-N 2.98Å; L135-L142 HydrophobicContact CD1-CD1 3.95Å; L135-L142 HydrophobicContact CD1-CD2 3.68Å; L135-L142 HydrophobicContact CD1-CG 4.49Å; L135-L142 HydrophobicContact CD2-CD1 4.17Å; L135-L149 HydrophobicContact CD1-CD1 4.32Å
136F75.3Confident77.5Confident144 Ų14483.3 Ų83.363%0.63243%0.427SS*.  trans-100.748.7-174.9-65.2-89.1000112.2F71 P134F71-F136 HydrophobicContact CD1-CD1 4.49Å; F71-F136 AromaticContact CD1-CE1 3.28Å; F71-F136 HydrophobicContact CD1-CE1 3.28Å; F71-F136 AromaticContact CD1-CZ 3.46Å; F71-F136 HydrophobicContact CD1-CZ 3.46Å; F71-F136 VanDerWaalsContact CD1-CZ 3.46Å; F71-F136 HydrophobicContact CE1-CD1 4.08Å; F71-F136 AromaticContact CE1-CE1 3.13Å; F71-F136 HydrophobicContact CE1-CE1 3.13Å; F71-F136 HydrophobicContact CE1-CE2 4.49Å; F71-F136 AromaticContact CE1-CZ 3.38Å; F71-F136 HydrophobicContact CE1-CZ 3.38Å; F71-F136 HydrophobicContact CG-CE1 4.38Å; F71-F136 HydrophobicContact CG-CZ 4.2Å; F71-F136 HydrophobicContact CZ-CE1 4.15Å; F71-F136 HydrophobicContact CZ-CZ 4.05Å; P134-F136 HydrophobicContact CB-CE2 4.15Å
137V75.7Confident77.6Confident49 Ų4980.7 Ų80.730%0.29742%0.417SS..SBendtrans-146.3148.8-168.258.90000110.3L135 E141 L142L135-V137 HydrophobicContact CB-CG1 4.29Å; L135-V137 PolarHBondContact O-N 2.98Å; V137-E141 HydrophobicContact CG2-CB 3.43Å; V137-E141 VanDerWaalsContact CG2-CB 3.43Å; V137-E141 VanDerWaalsContact CG2-CD 3.43Å; V137-E141 HydrophobicContact CG2-CG 3.38Å; V137-E141 WeakPolarHBondContact CG2-OE2 3.47Å; V137-L142 HydrophobicContact CG1-CB 3.89Å; V137-L142 HydrophobicContact CG1-CD1 3.67Å; V137-L142 HydrophobicContact CG1-CG 4.28Å
138S73.7Confident77.4Confident62 Ų6285.1 Ų85.143%0.43443%0.43SS..  trans-62.5153174.973.70000110.7E140 E141 L142S138-E140 PolarHBondContact O-N 3.42Å; S138-E141 PolarHBondContact O-N 2.94Å; S138-E141 WeakPolarHBondContact OG-CB 3.31Å; S138-E141 PolarHBondContact OG-N 3.49Å; S138-E141 VanDerWaalsContact OG-N 3.12Å; S138-L142 WeakPolarHBondContact O-CB 3.21Å; S138-L142 PolarHBondContact O-N 3.48Å
139L75Confident77Confident52 Ų5283.8 Ų83.827%0.27243%0.427SS..Hα-helixtrans-60.7-33178.9-174.367.7000112.1L8 K143 F150 L156L8-L139 HydrophobicContact CD2-CD1 3.46Å; L8-L139 VanDerWaalsContact CD2-CD1 3.46Å; L139-K143 VanDerWaalsContact O-CG 3.27Å; L139-K143 WeakPolarHBondContact O-CG 3.47Å; L139-K143 PolarHBondContact O-N 2.85Å; L139-K143 VanDerWaalsContact O-N 3.11Å; L139-F150 HydrophobicContact CD1-CE1 4.25Å; L139-F150 HydrophobicContact CD1-CZ 4.13Å; L139-L156 HydrophobicContact CD1-CD1 4.25Å; L139-L156 HydrophobicContact CD2-CD1 4.24Å; L139-L156 HydrophobicContact CD2-CD2 4.09Å
140E75.7Confident76.6Confident151 Ų15178.9 Ų78.971%0.70641%0.41SS*.Hα-helixtrans-68.9-46.1176.8-64.1-167.6160.700111.7S138 L142 K143 N144S138-E140 PolarHBondContact O-N 3.42Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 2.92Å; E140-K143 PolarHBondContact O-N 3.36Å; E140-N144 PolarHBondContact O-N 3.3Å; E140-N144 PolarHBondContact O-ND2 3.34Å
141E81.2Confident76.2Confident107 Ų10782.5 Ų82.550%0.544%0.438SS..Hα-helixtrans-68.7-34.2177.9-175.5-179-175.900111.6V137 S138 N144 T145V137-E141 HydrophobicContact CG2-CB 3.43Å; V137-E141 VanDerWaalsContact CG2-CB 3.43Å; V137-E141 VanDerWaalsContact CG2-CD 3.43Å; V137-E141 HydrophobicContact CG2-CG 3.38Å; V137-E141 WeakPolarHBondContact CG2-OE2 3.47Å; S138-E141 PolarHBondContact O-N 2.94Å; S138-E141 WeakPolarHBondContact OG-CB 3.31Å; S138-E141 PolarHBondContact OG-N 3.49Å; S138-E141 VanDerWaalsContact OG-N 3.12Å; E141-N144 PolarHBondContact O-N 2.94Å; E141-T145 HydrophobicContact CG-CG2 4.12Å; E141-T145 WeakPolarHBondContact O-CB 3.33Å; E141-T145 WeakPolarHBondContact O-CG2 3.37Å; E141-T145 PolarHBondContact O-N 2.9Å; E141-T145 PolarHBondContact O-OG1 2.92Å
142L79.3Confident75.7Confident6 Ų683.2 Ų83.23%0.03144%0.438CS..Hα-helixtrans-63.4-41.5173-171.966.9000112L8 L135 V137 S138 E140 N144 T145 Q146 L149 F150L8-L142 HydrophobicContact CD1-CD2 4.4Å; L8-L142 HydrophobicContact CD2-CD2 4.13Å; L135-L142 HydrophobicContact CD1-CD1 3.95Å; L135-L142 HydrophobicContact CD1-CD2 3.68Å; L135-L142 HydrophobicContact CD1-CG 4.49Å; L135-L142 HydrophobicContact CD2-CD1 4.17Å; V137-L142 HydrophobicContact CG1-CB 3.89Å; V137-L142 HydrophobicContact CG1-CD1 3.67Å; V137-L142 HydrophobicContact CG1-CG 4.28Å; S138-L142 WeakPolarHBondContact O-CB 3.21Å; S138-L142 PolarHBondContact O-N 3.48Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 2.92Å; L142-N144 PolarHBondContact O-N 3.42Å; L142-T145 WeakPolarHBondContact CA-OG1 3.3Å; L142-T145 PolarHBondContact O-N 3.15Å; L142-Q146 HydrophobicContact CD1-CB 4.21Å; L142-Q146 CarbonylContact O-C 3.55Å; L142-Q146 PolarHBondContact O-N 3.23Å; L142-L149 HydrophobicContact CD1-CD1 4.09Å; L142-F150 HydrophobicContact CD2-CE2 4.27Å; L142-F150 HydrophobicContact CD2-CZ 3.91Å; L142-F150 HydrophobicContact CG-CE2 4.03Å; L142-F150 HydrophobicContact CG-CZ 4.12Å
143K78.9Confident75.3Confident107 Ų10784.2 Ų84.247%0.46545%0.449SS..Hα-helixtrans-61.5-34.4174.8-76.3171.1-179176.80111.9L139 E140 F150L139-K143 VanDerWaalsContact O-CG 3.27Å; L139-K143 WeakPolarHBondContact O-CG 3.47Å; L139-K143 PolarHBondContact O-N 2.85Å; L139-K143 VanDerWaalsContact O-N 3.11Å; E140-K143 PolarHBondContact O-N 3.36Å; K143-F150 HydrophobicContact CB-CE2 4.28Å; K143-F150 HydrophobicContact CG-CD1 4.48Å; K143-F150 HydrophobicContact CG-CD2 4.18Å; K143-F150 HydrophobicContact CG-CE1 4.04Å; K143-F150 HydrophobicContact CG-CE2 3.7Å; K143-F150 HydrophobicContact CG-CZ 3.61Å
144N81.2Confident75.2Confident134 Ų13481.1 Ų81.172%0.71744%0.436SS*.Hα-helixtrans-80.2-39.4179.6-66.5-24.6000112.7E140 E141 L142E140-N144 PolarHBondContact O-N 3.3Å; E140-N144 PolarHBondContact O-ND2 3.34Å; E141-N144 PolarHBondContact O-N 2.94Å; L142-N144 PolarHBondContact O-N 3.42Å
145T79.6Confident75.2Confident84 Ų8480.6 Ų80.652%0.51543%0.432SS..Hα-helixtrans-85.9-35.2-174.753.20000113.1E141 L142E141-T145 HydrophobicContact CG-CG2 4.12Å; E141-T145 WeakPolarHBondContact O-CB 3.33Å; E141-T145 WeakPolarHBondContact O-CG2 3.37Å; E141-T145 PolarHBondContact O-N 2.9Å; E141-T145 PolarHBondContact O-OG1 2.92Å; L142-T145 WeakPolarHBondContact CA-OG1 3.3Å; L142-T145 PolarHBondContact O-N 3.15Å
146Q77.2Confident75.4Confident62 Ų6282 Ų8229%0.2944%0.439SS..  trans-134.561.5-175.5-64.6-172.5-12.900112.5L142 H148 L149L142-Q146 HydrophobicContact CD1-CB 4.21Å; L142-Q146 CarbonylContact O-C 3.55Å; L142-Q146 PolarHBondContact O-N 3.23Å; Q146-H148 PolarHBondContact O-N 2.91Å; Q146-H148 VanDerWaalsContact O-N 3.1Å; Q146-L149 HydrophobicContact CB-CD1 3.98Å; Q146-L149 HydrophobicContact CB-CG 4.24Å; Q146-L149 PolarHBondContact O-N 3.42Å; Q146-L149 VanDerWaalsContact OE1-CD1 3.27Å
147P78Confident75.6Confident81 Ų8176.8 Ų76.853%0.52642%0.419SS..G310 helixtrans-62.3-23.1-176.924.7-34.6000113.8L149 F150P147-L149 PolarHBondContact O-N 2.57Å; P147-F150 PolarHBondContact O-N 3.45Å
148H75.7Confident75.9Confident120 Ų12078 Ų7856%0.55642%0.418SS*.G310 helixtrans-62-30.2178.566.8-84.7000113Q146 F150 S151Q146-H148 PolarHBondContact O-N 2.91Å; Q146-H148 VanDerWaalsContact O-N 3.1Å; H148-F150 PolarHBondContact O-N 2.81Å; H148-S151 VanDerWaalsContact O-CB 3.31Å; H148-S151 WeakPolarHBondContact O-CB 3.46Å; H148-S151 PolarHBondContact O-N 3.3Å; H148-S151 VanDerWaalsContact O-N 3.12Å; H148-S151 PolarHBondContact O-OG 3.38Å
149L69.4Low76.4Confident52 Ų5277.2 Ų77.227%0.27241%0.407SS..G310 helixtrans-61.8-22.3174.2-67.5179.1000112.3L135 L142 Q146 P147 P154L135-L149 HydrophobicContact CD1-CD1 4.32Å; L142-L149 HydrophobicContact CD1-CD1 4.09Å; Q146-L149 HydrophobicContact CB-CD1 3.98Å; Q146-L149 HydrophobicContact CB-CG 4.24Å; Q146-L149 PolarHBondContact O-N 3.42Å; Q146-L149 VanDerWaalsContact OE1-CD1 3.27Å; P147-L149 PolarHBondContact O-N 2.57Å; L149-P154 VanDerWaalsContact O-CD 3.3Å; L149-P154 WeakPolarHBondContact O-CD 3.23Å
150F73.1Confident76.6Confident51 Ų5179.7 Ų79.722%0.22442%0.419CS..G310 helixtrans-99.94.3-179.9-57.7-86.6000113.5L8 L139 L142 K143 P147 H148 N152L8-F150 HydrophobicContact CD2-CE1 4.35Å; L8-F150 HydrophobicContact CD2-CZ 4.44Å; L139-F150 HydrophobicContact CD1-CE1 4.25Å; L139-F150 HydrophobicContact CD1-CZ 4.13Å; L142-F150 HydrophobicContact CD2-CE2 4.27Å; L142-F150 HydrophobicContact CD2-CZ 3.91Å; L142-F150 HydrophobicContact CG-CE2 4.03Å; L142-F150 HydrophobicContact CG-CZ 4.12Å; K143-F150 HydrophobicContact CB-CE2 4.28Å; K143-F150 HydrophobicContact CG-CD1 4.48Å; K143-F150 HydrophobicContact CG-CD2 4.18Å; K143-F150 HydrophobicContact CG-CE1 4.04Å; K143-F150 HydrophobicContact CG-CE2 3.7Å; K143-F150 HydrophobicContact CG-CZ 3.61Å; P147-F150 PolarHBondContact O-N 3.45Å; H148-F150 PolarHBondContact O-N 2.81Å; F150-N152 VanDerWaalsContact C-N 3.32Å; F150-N152 PolarHBondContact O-N 3.19Å
151S69.2Low76.7Confident106 Ų10673.2 Ų73.274%0.74139%0.392SS*.SBendtrans-64.2-36.217960.60000112.9H148H148-S151 VanDerWaalsContact O-CB 3.31Å; H148-S151 WeakPolarHBondContact O-CB 3.46Å; H148-S151 PolarHBondContact O-N 3.3Å; H148-S151 VanDerWaalsContact O-N 3.12Å; H148-S151 PolarHBondContact O-OG 3.38Å
152N68.6Low76.5Confident108 Ų10869.3 Ų69.358%0.57837%0.373SS*.SBendtrans-11693.3160.5-171.520.8000106.7F150 P154F150-N152 VanDerWaalsContact C-N 3.32Å; F150-N152 PolarHBondContact O-N 3.19Å; N152-P154 WeakPolarHBondContact O-CD 3.22Å; N152-P154 VanDerWaalsContact O-N 3.09Å
153P66.4Low76.3Confident93 Ų9370.1 Ų70.160%0.60438%0.379SS*.PPolyproline II helixtrans-57.4118.9-161.220-31.6000110.2
154P74.5Confident76.1Confident24 Ų2467.7 Ų67.716%0.15637%0.37CS..PPolyproline II helixtrans-62.3149177.125.6-33.2000109.3S6 L8 L149 N152 L156S6-P154 WeakPolarHBondContact O-CA 3.45Å; S6-P154 WeakPolarHBondContact OG-CA 3.42Å; L8-P154 HydrophobicContact CB-CB 4.2Å; L8-P154 HydrophobicContact CB-CG 4.11Å; L149-P154 VanDerWaalsContact O-CD 3.3Å; L149-P154 WeakPolarHBondContact O-CD 3.23Å; N152-P154 WeakPolarHBondContact O-CD 3.22Å; N152-P154 VanDerWaalsContact O-N 3.09Å; P154-L156 PolarHBondContact O-N 3.2Å; P154-L156 VanDerWaalsContact O-N 3.14Å
155V76.2Confident75.8Confident43 Ų4363.2 Ų63.226%0.26135%0.347SS..EExtended strand (participates in β ladder)trans-67.5116.6172.5178.10000107.7S6 F7 L8 V157S6-V155 PolarHBondContact O-N 2.82Å; F7-V155 WeakPolarHBondContact CA-O 3.28Å; F7-V155 HydrophobicContact CD1-CB 3.79Å; F7-V155 HydrophobicContact CD1-CG1 4.31Å; F7-V155 HydrophobicContact CD1-CG2 4.45Å; F7-V155 HydrophobicContact CE1-CB 4.11Å; F7-V155 HydrophobicContact CE1-CG2 4.33Å; L8-V155 PolarHBondContact N-O 3.07Å; V155-V157 HydrophobicContact CG1-CG2 4.21Å; V155-V157 PolarHBondContact O-N 3.48Å
156L79.3Confident75.5Confident85 Ų8559.7 Ų59.745%0.44533%0.325SS..EExtended strand (participates in β ladder)trans-76118.3177.8-171.570.2000109.7L8 T10 L139 P154L8-L156 HydrophobicContact CB-CD1 4.28Å; L8-L156 HydrophobicContact CD2-CD1 3.97Å; L8-L156 HydrophobicContact CG-CD1 4.25Å; T10-L156 HydrophobicContact CG2-CD1 3.47Å; T10-L156 VanDerWaalsContact CG2-CD1 3.47Å; L139-L156 HydrophobicContact CD1-CD1 4.25Å; L139-L156 HydrophobicContact CD2-CD1 4.24Å; L139-L156 HydrophobicContact CD2-CD2 4.09Å; P154-L156 PolarHBondContact O-N 3.2Å; P154-L156 VanDerWaalsContact O-N 3.14Å
157V79.6Confident75.3Confident35 Ų3560.9 Ų60.921%0.21234%0.336CS..EExtended strand (participates in β ladder)trans-115.9102.7-178.4-175.70000108.9F7 L8 I9 T10 V155F7-V157 HydrophobicContact CD1-CG2 4.3Å; L8-V157 PolarHBondContact O-N 2.77Å; I9-V157 VanDerWaalsContact CA-O 3.32Å; I9-V157 WeakPolarHBondContact CA-O 3.03Å; I9-V157 HydrophobicContact CG1-CB 4.48Å; T10-V157 PolarHBondContact N-O 3.46Å; V155-V157 HydrophobicContact CG1-CG2 4.21Å; V155-V157 PolarHBondContact O-N 3.48Å
158R81.3Confident74.9Confident75 Ų7561.3 Ų61.328%0.28333%0.327SS..EExtended strand (participates in β ladder)trans-75.2139.4173.6-59-167.775176.72.5110.2D11 D170D11-R158 IonicContact OD1-NE 3.76Å; D11-R158 IonicContact OD1-NH2 2.92Å; D11-R158 IonicContact OD2-CZ 3.24Å; D11-R158 IonicContact OD2-NE 3.06Å; D11-R158 PolarHBondContact OD2-NE 2.93Å; D11-R158 IonicContact OD2-NH2 3.84Å; D11-R158 PolarHBondContact OD2-NH2 3.39Å; D11-R158 VanDerWaalsContact OD2-NH2 3.09Å; R158-D170 IonicContact CZ-OD1 2.96Å; R158-D170 IonicContact CZ-OD2 3.34Å; R158-D170 IonicContact NH1-OD1 2.92Å; R158-D170 PolarHBondContact NH1-OD1 3.43Å; R158-D170 IonicContact NH1-OD2 3.22Å; R158-D170 IonicContact NH2-OD1 3.91Å; R158-D170 PolarHBondContact NH2-OD1 3.5Å; R158-D170 IonicContact NH2-OD2 3.77Å; R158-D170 PolarHBondContact NH2-OD2 3.17Å
159K84.1Confident74.5Confident46 Ų4662.1 Ų62.120%0.234%0.336CS..  trans-47.4141.3174.2177.6-177.2170.3-173.60112.1T10 D11 D16 G161 F162 R172T10-K159 PolarHBondContact O-N 3.16Å; T10-K159 VanDerWaalsContact O-N 3.09Å; D11-K159 HydrophobicContact CB-CB 3.85Å; D11-K159 WeakPolarHBondContact O-CD 3.46Å; D16-K159 WeakPolarHBondContact OD1-CE 3.31Å; D16-K159 IonicContact OD1-NZ 3.27Å; D16-K159 PolarHBondContact OD1-NZ 2.97Å; D16-K159 VanDerWaalsContact OD2-CE 3.28Å; D16-K159 WeakPolarHBondContact OD2-CE 3.42Å; D16-K159 IonicContact OD2-NZ 2.76Å; D16-K159 PolarHBondContact OD2-NZ 2.85Å; K159-G161 VanDerWaalsContact C-N 3.32Å; K159-G161 PolarHBondContact O-N 3.43Å; K159-G161 VanDerWaalsContact O-O 3.06Å; K159-F162 PolarHBondContact NZ-O 3.47Å; K159-R172 PolarHBondContact O-NH2 3.08Å
160M79.8Confident74.7Confident104 Ų10461.3 Ų61.351%0.51233%0.331SS..SBendtrans-73.587.5167.4-64.9-173-63.500109.6Y176 T243M160-Y176 HydrophobicContact CB-CD2 4.39Å; M160-Y176 HydrophobicContact CB-CE2 4.31Å; M160-Y176 HydrophobicContact CG-CD1 3.75Å; M160-Y176 HydrophobicContact CG-CD2 4.36Å; M160-Y176 HydrophobicContact CG-CE1 3.62Å; M160-Y176 HydrophobicContact CG-CE2 4.27Å; M160-Y176 HydrophobicContact CG-CG 4.11Å; M160-Y176 HydrophobicContact SD-CD1 3.89Å; M160-Y176 HydrophobicContact SD-CE1 4.3Å; M160-Y176 HydrophobicContact SD-CG 4.26Å; M160-T243 HydrophobicContact SD-CG2 3.94Å
161G77.4Confident74.7Confident14 Ų1464 Ų6414%0.14435%0.352CS..SBendtrans141.3172.8-16900000110.2K159 R172 C362K159-G161 VanDerWaalsContact C-N 3.32Å; K159-G161 PolarHBondContact O-N 3.43Å; K159-G161 VanDerWaalsContact O-O 3.06Å; G161-R172 PolarHBondContact O-NH1 2.92Å; G161-C362 WeakPolarHBondContact CA-SG 3.28Å; G161-C362 PolarHBondContact N-SG 3.3Å; G161-C362 VanDerWaalsContact N-SG 3.37Å
162F77.7Confident75.2Confident25 Ų2559 Ų5911%0.1132%0.317CS..  trans-76.7152.1175.5-67.3-74.3000112.1K159 I166 C362 S363 T364 K406K159-F162 PolarHBondContact NZ-O 3.47Å; F162-I166 HydrophobicContact CB-CD1 3.74Å; F162-I166 HydrophobicContact CB-CG1 3.83Å; F162-I166 HydrophobicContact CD1-CD1 3.72Å; F162-I166 HydrophobicContact CD1-CG1 3.9Å; F162-I166 HydrophobicContact CD2-CD1 4.05Å; F162-I166 HydrophobicContact CE1-CD1 4.34Å; F162-I166 HydrophobicContact CG-CD1 3.55Å; F162-I166 HydrophobicContact CG-CG1 3.98Å; F162-C362 HydrophobicContact CE1-CB 4.35Å; F162-C362 HydrophobicContact CE2-CB 4.38Å; F162-C362 HydrophobicContact CZ-CB 4.13Å; F162-S363 WeakPolarHBondContact CZ-O 3.05Å; F162-T364 HydrophobicContact CD1-CG2 4.28Å; F162-T364 HydrophobicContact CE1-CG2 3.56Å; F162-T364 HydrophobicContact CZ-CG2 4.34Å; F162-K406 HydrophobicContact CD2-CD 4.14Å; F162-K406 HydrophobicContact CD2-CG 4.27Å; F162-K406 HydrophobicContact CE2-CD 3.74Å; F162-K406 HydrophobicContact CE2-CG 4.17Å
163P75.5Confident75.8Confident23 Ų2354.8 Ų54.815%0.14929%0.294CS..  trans-55161.5158.226.9-34.4000110D11 V165D11-P163 HydrophobicContact CB-CB 3.86Å; P163-V165 WeakPolarHBondContact CG-O 3.45Å; P163-V165 PolarHBondContact O-N 3.46Å; P163-V165 VanDerWaalsContact O-N 3.16Å
164E74.7Confident76.7Confident57 Ų5751.1 Ų51.127%0.26627%0.27SS..SBendtrans-58.6-29.5-179.7-173.4161.8-164.200113.4G13 S14 N447 F448G13-E164 VanDerWaalsContact CA-OE2 3.28Å; G13-E164 WeakPolarHBondContact CA-OE2 3.44Å; S14-E164 PolarHBondContact N-OE2 3.25Å; S14-E164 PolarHBondContact OG-OE1 2.75Å; S14-E164 PolarHBondContact OG-OE2 2.87Å; E164-N447 HydrophobicContact CG-CB 4.44Å; E164-N447 PolarHBondContact OE1-ND2 3.29Å; E164-F448 WeakPolarHBondContact O-CE2 3.42Å
165V75.3Confident77.4Confident39 Ų3950 Ų5024%0.23626%0.262CS..SBendtrans-126.4127175.3-177.30000108.8P163 N447 V451P163-V165 WeakPolarHBondContact CG-O 3.45Å; P163-V165 PolarHBondContact O-N 3.46Å; P163-V165 VanDerWaalsContact O-N 3.16Å; V165-N447 HydrophobicContact CG2-CB 3.48Å; V165-N447 VanDerWaalsContact CG2-CB 3.48Å; V165-V451 HydrophobicContact CG1-CG2 3.13Å
166I73.8Confident78.2Confident10 Ų1048.4 Ų48.45%0.05125%0.251CS..  trans-97.6120.8178.3-61162000108.5F162 T364 K406F162-I166 HydrophobicContact CB-CD1 3.74Å; F162-I166 HydrophobicContact CB-CG1 3.83Å; F162-I166 HydrophobicContact CD1-CD1 3.72Å; F162-I166 HydrophobicContact CD1-CG1 3.9Å; F162-I166 HydrophobicContact CD2-CD1 4.05Å; F162-I166 HydrophobicContact CE1-CD1 4.34Å; F162-I166 HydrophobicContact CG-CD1 3.55Å; F162-I166 HydrophobicContact CG-CG1 3.98Å; I166-T364 HydrophobicContact CG2-CG2 3.67Å; I166-K406 HydrophobicContact CD1-CB 4.04Å; I166-K406 HydrophobicContact CD1-CG 3.59Å
167V72Confident78.9Confident88 Ų8844.3 Ų44.353%0.53323%0.23SC..  trans-98.1149177.6-172.10000108.9D169 D170V167-D169 VanDerWaalsContact C-N 3.32Å; V167-D169 PolarHBondContact O-N 3.45Å; V167-D170 WeakPolarHBondContact O-CB 3.49Å; V167-D170 PolarHBondContact O-N 3.32Å; V167-D170 VanDerWaalsContact O-N 3.11Å
168R69.2Low79.5Confident90 Ų9044.3 Ų44.334%0.3423%0.231SC..THydrogen-bonded Turntrans-57.3-43.9-173.3-157.6177.9-178.6145.58.5113.2D170 D413R168-D170 PolarHBondContact O-N 3.49Å; R168-D413 IonicContact CZ-OD2 3.33Å; R168-D413 IonicContact NH1-OD2 2.88Å; R168-D413 PolarHBondContact NH1-OD2 3.48Å; R168-D413 VanDerWaalsContact NH1-OD2 3.12Å; R168-D413 IonicContact NH2-OD2 2.81Å; R168-D413 PolarHBondContact NH2-OD2 3.05Å
169D68.7Low80.1Confident137 Ų13740.7 Ų40.773%0.73322%0.218SC*.THydrogen-bonded Turntrans-76.6-5.1-175.1-61.3-30.1000112.5V167 V171V167-D169 VanDerWaalsContact C-N 3.32Å; V167-D169 PolarHBondContact O-N 3.45Å; D169-V171 VanDerWaalsContact C-N 3.28Å; D169-V171 PolarHBondContact O-N 2.88Å
170D72.3Confident80.4Confident34 Ų3439.4 Ų39.418%0.18222%0.216CC..  trans-79.378.5170.9-166.418.7000110.2R158 V167 R168 R172 T364R158-D170 IonicContact CZ-OD1 2.96Å; R158-D170 IonicContact CZ-OD2 3.34Å; R158-D170 IonicContact NH1-OD1 2.92Å; R158-D170 PolarHBondContact NH1-OD1 3.43Å; R158-D170 IonicContact NH1-OD2 3.22Å; R158-D170 IonicContact NH2-OD1 3.91Å; R158-D170 PolarHBondContact NH2-OD1 3.5Å; R158-D170 IonicContact NH2-OD2 3.77Å; R158-D170 PolarHBondContact NH2-OD2 3.17Å; V167-D170 WeakPolarHBondContact O-CB 3.49Å; V167-D170 PolarHBondContact O-N 3.32Å; V167-D170 VanDerWaalsContact O-N 3.11Å; R168-D170 PolarHBondContact O-N 3.49Å; D170-R172 PolarHBondContact O-N 2.99Å; D170-R172 VanDerWaalsContact O-N 3.12Å; D170-T364 WeakPolarHBondContact O-CG2 3.24Å; D170-T364 PolarHBondContact O-OG1 2.89Å
171V73.3Confident81Confident107 Ų10736.3 Ų36.365%0.64820%0.204SC*.  trans-71.4105.8172.4-176.90000108.6D169D169-V171 VanDerWaalsContact C-N 3.28Å; D169-V171 PolarHBondContact O-N 2.88Å
172R79.1Confident81.6Confident3 Ų335.9 Ų35.91%0.01120%0.2CC..  trans-128.2125.5-178.2-169167.3-170.3-177.4-9.3109.4D11 K159 G161 D170 D174 Y176 C362 S363 T364D11-R172 IonicContact OD2-NH1 2.98Å; D11-R172 PolarHBondContact OD2-NH1 3.4Å; D11-R172 VanDerWaalsContact OD2-NH1 3.13Å; K159-R172 PolarHBondContact O-NH2 3.08Å; G161-R172 PolarHBondContact O-NH1 2.92Å; D170-R172 PolarHBondContact O-N 2.99Å; D170-R172 VanDerWaalsContact O-N 3.12Å; R172-D174 IonicContact CZ-OD2 3Å; R172-D174 IonicContact NE-OD2 2.73Å; R172-D174 PolarHBondContact NE-OD2 2.76Å; R172-D174 IonicContact NH2-OD2 2.77Å; R172-D174 PolarHBondContact NH2-OD2 3.02Å; R172-Y176 PolarHBondContact NH2-OH 2.73Å; R172-Y176 VanDerWaalsContact NH2-OH 3.08Å; R172-C362 CarbonylContact C-O 3.59Å; R172-S363 CarbonylContact O-C 3.39Å; R172-S363 WeakPolarHBondContact O-CA 3.25Å; R172-T364 HydrophobicContact CB-CG2 4.3Å; R172-T364 PolarHBondContact N-OG1 2.91Å; R172-T364 PolarHBondContact O-N 3.43Å; R172-T364 PolarHBondContact O-OG1 3.2Å
173N81.6Confident82.2Confident18 Ų1835.7 Ų35.710%0.09620%0.199CC..EExtended strand (participates in β ladder)trans-142.157.2-179.3-70.1-63.2000109.4V250 C362 S363N173-V250 HydrophobicContact CB-CG2 4.16Å; N173-V250 WeakPolarHBondContact ND2-CG2 3.4Å; N173-C362 WeakPolarHBondContact CA-O 3.4Å; N173-C362 PolarHBondContact N-O 3.5Å; N173-S363 WeakPolarHBondContact OD1-CB 3.49Å; N173-S363 PolarHBondContact OD1-OG 2.84Å
174D85Confident82.9Confident17 Ų1734.6 Ų34.69%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-94.4127.5-175.9-63.5-23.5000110.2R172 Y176 K245 C362R172-D174 IonicContact CZ-OD2 3Å; R172-D174 IonicContact NE-OD2 2.73Å; R172-D174 PolarHBondContact NE-OD2 2.76Å; R172-D174 IonicContact NH2-OD2 2.77Å; R172-D174 PolarHBondContact NH2-OD2 3.02Å; D174-Y176 HydrophobicContact CB-CD2 4.44Å; D174-Y176 HydrophobicContact CB-CE2 3.73Å; D174-Y176 PolarHBondContact OD2-OH 2.87Å; D174-K245 WeakPolarHBondContact OD1-CE 3.32Å; D174-K245 IonicContact OD1-NZ 2.66Å; D174-K245 PolarHBondContact OD1-NZ 3.44Å; D174-K245 IonicContact OD2-NZ 3.26Å; D174-K245 PolarHBondContact OD2-NZ 2.88Å; D174-C362 HydrophobicContact CB-CB 4.3Å; D174-C362 PolarHBondContact N-O 3.31Å; D174-C362 PolarHBondContact O-N 3.41Å
175L90.7Very high83.2Confident0 Ų033.8 Ų33.80%019%0.191CC..EExtended strand (participates in β ladder)trans-108.4117.216917162.7000109.5V177 K245 V246 I248 I258 L285 T359 V361L175-V177 HydrophobicContact CD1-CG2 4.32Å; L175-V177 HydrophobicContact CD2-CG2 4.21Å; L175-V177 HydrophobicContact CG-CG2 3.93Å; L175-K245 CarbonylContact O-C 3.51Å; L175-V246 HydrophobicContact CB-CB 4.35Å; L175-V246 HydrophobicContact CD2-CB 4.41Å; L175-V246 HydrophobicContact CG-CB 4.47Å; L175-V246 PolarHBondContact N-O 3.39Å; L175-V246 PolarHBondContact O-N 3.09Å; L175-I248 HydrophobicContact CB-CD1 3.88Å; L175-I248 HydrophobicContact CD2-CD1 3.75Å; L175-I248 HydrophobicContact CG-CD1 4.49Å; L175-I258 HydrophobicContact CD2-CD1 3.58Å; L175-L285 HydrophobicContact CD2-CD1 3.84Å; L175-L285 HydrophobicContact CD2-CD2 3.59Å; L175-L285 HydrophobicContact CD2-CG 4.4Å; L175-T359 HydrophobicContact CD1-CG2 4.44Å; L175-V361 HydrophobicContact CD1-CG2 3.76Å
176Y92.1Very high83.3Confident9 Ų936.1 Ų36.14%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-95.8127.7173-60.6-86.1000109.5M160 R172 D174 V217 T243 V244 K245 T359 V360M160-Y176 HydrophobicContact CB-CD2 4.39Å; M160-Y176 HydrophobicContact CB-CE2 4.31Å; M160-Y176 HydrophobicContact CG-CD1 3.75Å; M160-Y176 HydrophobicContact CG-CD2 4.36Å; M160-Y176 HydrophobicContact CG-CE1 3.62Å; M160-Y176 HydrophobicContact CG-CE2 4.27Å; M160-Y176 HydrophobicContact CG-CG 4.11Å; M160-Y176 HydrophobicContact SD-CD1 3.89Å; M160-Y176 HydrophobicContact SD-CE1 4.3Å; M160-Y176 HydrophobicContact SD-CG 4.26Å; R172-Y176 PolarHBondContact NH2-OH 2.73Å; R172-Y176 VanDerWaalsContact NH2-OH 3.08Å; D174-Y176 HydrophobicContact CB-CD2 4.44Å; D174-Y176 HydrophobicContact CB-CE2 3.73Å; D174-Y176 PolarHBondContact OD2-OH 2.87Å; Y176-V217 HydrophobicContact CD1-CG2 4.3Å; Y176-T243 HydrophobicContact CD1-CG2 4.4Å; Y176-V244 WeakPolarHBondContact CA-O 3.44Å; Y176-K245 HydrophobicContact CD1-CB 4.08Å; Y176-K245 HydrophobicContact CD1-CG 4.5Å; Y176-K245 HydrophobicContact CE1-CB 4.01Å; Y176-K245 HydrophobicContact CE1-CD 4.07Å; Y176-K245 HydrophobicContact CE1-CG 4.17Å; Y176-T359 VanDerWaalsContact O-CA 3.27Å; Y176-T359 WeakPolarHBondContact O-CA 3.38Å; Y176-V360 PolarHBondContact N-O 2.88Å; Y176-V360 PolarHBondContact O-N 2.68Å
177V94.4Very high83.2Confident0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-119.9116.2178.1-177.60000108.8L175 T243 V244 V246 I258 F260 I357 T359L175-V177 HydrophobicContact CD1-CG2 4.32Å; L175-V177 HydrophobicContact CD2-CG2 4.21Å; L175-V177 HydrophobicContact CG-CG2 3.93Å; V177-T243 WeakPolarHBondContact O-CA 3.46Å; V177-V244 HydrophobicContact CB-CG2 3.98Å; V177-V244 PolarHBondContact N-O 3.42Å; V177-V244 WeakPolarHBondContact O-CG2 3.26Å; V177-V244 PolarHBondContact O-N 3.13Å; V177-V246 HydrophobicContact CG2-CG2 3.98Å; V177-I258 HydrophobicContact CG2-CD1 3.77Å; V177-F260 HydrophobicContact CG1-CE1 4.14Å; V177-F260 HydrophobicContact CG1-CZ 4Å; V177-I357 HydrophobicContact CG1-CB 4.44Å; V177-I357 HydrophobicContact CG1-CD1 4.18Å; V177-T359 HydrophobicContact CG2-CG2 4.34Å
178S92.9Very high83Confident34 Ų3433.2 Ų33.224%0.23818%0.183CC..EExtended strand (participates in β ladder)trans-102.2120.1176.9-62.10000110.2A180 E242 T243 I357 N358S178-A180 PolarHBondContact O-N 3.1Å; S178-E242 CarbonylContact C-O 3.56Å; S178-E242 WeakPolarHBondContact CA-O 3.35Å; S178-T243 WeakPolarHBondContact OG-CG2 3.36Å; S178-T243 PolarHBondContact OG-OG1 3.22Å; S178-I357 CarbonylContact O-C 3.53Å; S178-I357 WeakPolarHBondContact O-CA 3.43Å; S178-N358 PolarHBondContact N-O 2.82Å; S178-N358 PolarHBondContact O-N 3.21Å
179L93.5Very high82.8Confident0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-73.5102.3171.4-60.1-175.9000109.1V197 I199 W240 F241 E242 F260 F355 I357L179-V197 HydrophobicContact CD1-CB 4.41Å; L179-I199 HydrophobicContact CD1-CD1 4.12Å; L179-I199 HydrophobicContact CD2-CD1 3.92Å; L179-I199 HydrophobicContact CG-CD1 4.17Å; L179-W240 HydrophobicContact CB-CB 3.82Å; L179-W240 HydrophobicContact CB-CD2 4.47Å; L179-W240 HydrophobicContact CB-CE3 4.24Å; L179-W240 HydrophobicContact CB-CG 4.35Å; L179-W240 HydrophobicContact CD1-CB 4.42Å; L179-W240 HydrophobicContact CD1-CG 4.41Å; L179-F241 PolarHBondContact O-N 2.87Å; L179-E242 PolarHBondContact N-O 3.37Å; L179-F260 HydrophobicContact CD2-CD1 4.23Å; L179-F260 HydrophobicContact CD2-CE1 4.02Å; L179-F355 HydrophobicContact CD2-CE2 4.28Å; L179-F355 HydrophobicContact CD2-CZ 3.73Å; L179-I357 HydrophobicContact CD2-CG2 4.28Å
180A90.6Very high82.7Confident18 Ų1836.1 Ų36.115%0.14920%0.196CC..EExtended strand (participates in β ladder)trans-79-69.4-177.800000110.8S178 R239 W240 T356S178-A180 PolarHBondContact O-N 3.1Å; A180-R239 WeakPolarHBondContact O-CA 3.42Å; A180-W240 PolarHBondContact O-N 2.88Å; A180-T356 HydrophobicContact CB-CG2 4.22Å; A180-T356 WeakPolarHBondContact CB-O 3.09Å; A180-T356 PolarHBondContact N-O 2.84Å
181C90.6Very high82.2Confident40 Ų4039 Ų3927%0.2722%0.219SC..EExtended strand (participates in β ladder)trans-160.9166.9-178.161.90000112.8P238 R239 T356C181-P238 CarbonylContact C-O 3.55Å; C181-P238 VanDerWaalsContact CA-O 3.25Å; C181-P238 WeakPolarHBondContact CA-O 3.45Å; C181-P238 WeakPolarHBondContact CB-O 3.33Å; C181-R239 HydrophobicContact CB-CB 4.47Å; C181-R239 HydrophobicContact CB-CG 3.93Å; C181-T356 PolarHBondContact N-O 2.7Å; C181-T356 PolarHBondContact O-N 3.49Å
182G90.9Very high81.6Confident5 Ų537.8 Ų37.85%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-145.9159.8168.800000112.4R237 P238 C354G182-R237 CarbonylContact O-C 3.49Å; G182-R237 VanDerWaalsContact O-C 3.29Å; G182-R237 WeakPolarHBondContact O-CA 3.37Å; G182-P238 PolarHBondContact N-O 3.47Å; G182-P238 WeakPolarHBondContact O-CD 3.4Å; G182-C354 CarbonylContact C-O 3.44Å; G182-C354 VanDerWaalsContact CA-O 3.23Å; G182-C354 WeakPolarHBondContact CA-O 3.49Å
183D90.5Very high81.3Confident20 Ų2037.7 Ų37.711%0.10721%0.208CC..EExtended strand (participates in β ladder)trans-128.6111.6171.2177.41000107.6T185 R237 D353 C354D183-T185 WeakPolarHBondContact OD1-CB 3.39Å; D183-T185 VanDerWaalsContact OD1-CG2 3.23Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.42Å; D183-T185 PolarHBondContact OD1-N 3.31Å; D183-T185 VanDerWaalsContact OD1-N 3.15Å; D183-T185 PolarHBondContact OD1-OG1 3.31Å; D183-R237 IonicContact OD1-CZ 2.79Å; D183-R237 IonicContact OD1-NH1 2.77Å; D183-R237 PolarHBondContact OD1-NH1 3.04Å; D183-R237 IonicContact OD2-CZ 2.89Å; D183-R237 IonicContact OD2-NH1 3.74Å; D183-R237 PolarHBondContact OD2-NH1 3.17Å; D183-R237 IonicContact OD2-NH2 3.53Å; D183-R237 PolarHBondContact OD2-NH2 3.18Å; D183-D353 CarbonylContact O-C 3.5Å; D183-D353 WeakPolarHBondContact O-CA 3.14Å; D183-D353 VanDerWaalsContact O-CB 3.28Å; D183-D353 WeakPolarHBondContact O-CB 3.28Å; D183-C354 VanDerWaalsContact CB-SG 3.59Å; D183-C354 PolarHBondContact N-O 3.29Å; D183-C354 PolarHBondContact O-N 3.16Å
184F89.1Confident81.6Confident0 Ų037.1 Ų37.10%021%0.205CC..  trans-115.719.3-177.1-57.1-79.4000112.7H186 C187 K193 V195 D236 P238 W240 F262 F278 V302 D353 F355F184-H186 PolarHBondContact O-N 2.99Å; F184-C187 PolarHBondContact O-N 3.38Å; F184-K193 HydrophobicContact CB-CD 4.44Å; F184-K193 WeakPolarHBondContact O-CE 3.47Å; F184-K193 PolarHBondContact O-NZ 3.22Å; F184-V195 HydrophobicContact CD2-CB 4.45Å; F184-V195 HydrophobicContact CD2-CG1 3.96Å; F184-V195 HydrophobicContact CD2-CG2 4.02Å; F184-V195 HydrophobicContact CE2-CG1 3.94Å; F184-D236 PolarHBondContact N-O 3.33Å; F184-P238 HydrophobicContact CD2-CG 4.42Å; F184-P238 HydrophobicContact CE2-CG 4.19Å; F184-W240 AromaticContact CE2-CH2 3.79Å; F184-W240 HydrophobicContact CE2-CH2 3.79Å; F184-W240 HydrophobicContact CZ-CH2 4.28Å; F184-F262 AromaticContact CE1-CD1 3.68Å; F184-F262 HydrophobicContact CE1-CD1 3.68Å; F184-F262 HydrophobicContact CE1-CD2 4.01Å; F184-F262 AromaticContact CE1-CE1 3.76Å; F184-F262 HydrophobicContact CE1-CE1 3.76Å; F184-F262 HydrophobicContact CE1-CE2 4.07Å; F184-F262 AromaticContact CE1-CG 3.82Å; F184-F262 HydrophobicContact CE1-CG 3.82Å; F184-F262 AromaticContact CE1-CZ 3.95Å; F184-F262 HydrophobicContact CE1-CZ 3.95Å; F184-F262 HydrophobicContact CE2-CD1 4.35Å; F184-F262 HydrophobicContact CE2-CE1 4.45Å; F184-F262 AromaticContact CZ-CD1 3.48Å; F184-F262 HydrophobicContact CZ-CD1 3.48Å; F184-F262 VanDerWaalsContact CZ-CD1 3.48Å; F184-F262 AromaticContact CZ-CE1 3.39Å; F184-F262 HydrophobicContact CZ-CE1 3.39Å; F184-F262 HydrophobicContact CZ-CE2 4.5Å; F184-F262 HydrophobicContact CZ-CG 4.12Å; F184-F262 AromaticContact CZ-CZ 3.94Å; F184-F262 HydrophobicContact CZ-CZ 3.94Å; F184-F278 HydrophobicContact CB-CE2 4.36Å; F184-F278 HydrophobicContact CB-CZ 4.45Å; F184-F278 HydrophobicContact CD1-CE2 4.02Å; F184-F278 HydrophobicContact CD1-CZ 4.35Å; F184-F278 HydrophobicContact CG-CE2 4.36Å; F184-F278 HydrophobicContact CG-CZ 4.37Å; F184-V302 HydrophobicContact CE1-CG1 4.4Å; F184-V302 HydrophobicContact CE1-CG2 4.41Å; F184-D353 WeakPolarHBondContact CA-OD1 3.43Å; F184-F355 HydrophobicContact CZ-CB 4.36Å; F184-F355 HydrophobicContact CZ-CD2 4.2Å
185T80.9Confident81.8Confident40 Ų4036.4 Ų36.425%0.24520%0.202CC..THydrogen-bonded Turntrans-48.6-31.4-177.244.50000113.5D183 K193 D236 R237 D353D183-T185 WeakPolarHBondContact OD1-CB 3.39Å; D183-T185 VanDerWaalsContact OD1-CG2 3.23Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.42Å; D183-T185 PolarHBondContact OD1-N 3.31Å; D183-T185 VanDerWaalsContact OD1-N 3.15Å; D183-T185 PolarHBondContact OD1-OG1 3.31Å; T185-K193 PolarHBondContact O-NZ 3.16Å; T185-D236 WeakPolarHBondContact CG2-OD2 3.48Å; T185-R237 HydrophobicContact CG2-CG 4.42Å; T185-D353 PolarHBondContact N-OD1 2.88Å
186H78.5Confident81.8Confident88 Ų8836.7 Ų36.741%0.40720%0.203SC..THydrogen-bonded Turntrans-105.2-13.2-170.1-59.9-66.9000116.2F184 T188 R304 K352 D353F184-H186 PolarHBondContact O-N 2.99Å; H186-T188 VanDerWaalsContact C-N 3.29Å; H186-T188 PolarHBondContact O-N 3.44Å; H186-R304 PolarHBondContact O-NH1 3.28Å; H186-R304 PolarHBondContact O-NH2 3.48Å; H186-K352 HydrophobicContact CB-CB 4.31Å; H186-K352 WeakPolarHBondContact CD2-CB 3.38Å; H186-D353 WeakPolarHBondContact CA-OD1 3.47Å; H186-D353 WeakPolarHBondContact CB-OD1 3.44Å; H186-D353 PolarHBondContact N-OD1 3.3Å
187C72.2Confident81.9Confident2 Ų236.2 Ų36.21%0.01420%0.201CC..SBendtrans-69.9-17-176-107.80000115.1F184 F278 R304 D353F184-C187 PolarHBondContact O-N 3.38Å; C187-F278 HydrophobicContact CB-CD2 3.69Å; C187-F278 HydrophobicContact CB-CE2 3.79Å; C187-R304 PolarHBondContact O-NE 3.29Å; C187-R304 PolarHBondContact O-NH2 3.46Å; C187-D353 WeakPolarHBondContact CA-OD2 3.38Å; C187-D353 WeakPolarHBondContact CB-OD2 3.27Å; C187-D353 PolarHBondContact N-OD1 3.15Å; C187-D353 PolarHBondContact N-OD2 3.17Å; C187-D353 PolarHBondContact SG-OD2 2.88Å
188T67.5Low81.9Confident35 Ų3537.9 Ų37.922%0.21521%0.207CC..SBendtrans-150.7155.3178.4640000109.8H186 R190 K193 F278H186-T188 VanDerWaalsContact C-N 3.29Å; H186-T188 PolarHBondContact O-N 3.44Å; T188-R190 PolarHBondContact O-N 2.94Å; T188-K193 VanDerWaalsContact N-NZ 3.16Å; T188-K193 PolarHBondContact O-NZ 3.15Å; T188-K193 WeakPolarHBondContact OG1-CE 3.27Å; T188-K193 PolarHBondContact OG1-NZ 2.95Å; T188-F278 HydrophobicContact CG2-CB 3.77Å; T188-F278 HydrophobicContact CG2-CD1 4.5Å; T188-F278 HydrophobicContact CG2-CD2 4.17Å; T188-F278 HydrophobicContact CG2-CG 3.91Å
189N65.2Low82Confident169 Ų16936.3 Ų36.390%0.90420%0.196SC*.SBendtrans-79.312.3177.6-70-6.1000113.6
190R65.8Low82Confident119 Ų11936.3 Ų36.345%0.44920%0.196SC..  trans-92.9126.6178.8-63.1-173.6-178172.85.9108.6T188 D192 K193 H264 E275T188-R190 PolarHBondContact O-N 2.94Å; R190-D192 PolarHBondContact O-N 3.24Å; R190-K193 WeakPolarHBondContact O-CE 3.44Å; R190-H264 PolarHBondContact NH1-ND1 2.87Å; R190-E275 IonicContact CZ-OE1 2.96Å; R190-E275 IonicContact CZ-OE2 3.73Å; R190-E275 VanDerWaalsContact NH1-CD 3.31Å; R190-E275 IonicContact NH1-OE1 3.47Å; R190-E275 PolarHBondContact NH1-OE1 3.41Å; R190-E275 IonicContact NH1-OE2 3.53Å; R190-E275 PolarHBondContact NH1-OE2 3Å; R190-E275 IonicContact NH2-OE1 3.63Å; R190-E275 IonicContact NH2-OE2 2.71Å; R190-E275 PolarHBondContact NH2-OE2 3.03Å
191S61.8Low82.1Confident94 Ų9435.5 Ų35.566%0.65719%0.189SC*.SBendtrans-71.5-20.2173.250.60000113.1
192D61.3Low82.1Confident82 Ų8233.6 Ų33.644%0.43918%0.176SC..  trans-112.465.5-161.6-74.520.5000110.9R190 H234 H264R190-D192 PolarHBondContact O-N 3.24Å; D192-H234 VanDerWaalsContact CB-CE1 3.41Å; D192-H234 WeakPolarHBondContact CB-CE1 3.38Å; D192-H234 WeakPolarHBondContact CB-ND1 3.36Å; D192-H234 VanDerWaalsContact CG-CE1 3.42Å; D192-H234 IonicContact OD2-CE1 3.5Å; D192-H234 PolarHBondContact OD2-CE1 3.27Å; D192-H234 IonicContact OD2-ND1 3.19Å; D192-H264 PolarHBondContact O-NE2 3.21Å
193K72.2Confident82.1Confident2 Ų234.4 Ų34.41%0.00918%0.179CC..  trans-90.8122-172.4-51.8-176.2-160.9-165.90111.7F184 T185 T188 R190 V195 Q235 D236F184-K193 HydrophobicContact CB-CD 4.44Å; F184-K193 WeakPolarHBondContact O-CE 3.47Å; F184-K193 PolarHBondContact O-NZ 3.22Å; T185-K193 PolarHBondContact O-NZ 3.16Å; T188-K193 VanDerWaalsContact N-NZ 3.16Å; T188-K193 PolarHBondContact O-NZ 3.15Å; T188-K193 WeakPolarHBondContact OG1-CE 3.27Å; T188-K193 PolarHBondContact OG1-NZ 2.95Å; R190-K193 WeakPolarHBondContact O-CE 3.44Å; K193-V195 HydrophobicContact CB-CG2 3.85Å; K193-Q235 CarbonylContact O-C 3.57Å; K193-Q235 PolarHBondContact O-N 2.89Å; K193-Q235 VanDerWaalsContact O-O 3.05Å; K193-D236 HydrophobicContact CB-CB 3.82Å; K193-D236 HydrophobicContact CD-CB 4.11Å; K193-D236 HydrophobicContact CG-CB 4.09Å
194N87.7Confident81.8Confident6 Ų636.3 Ų36.33%0.03219%0.188CC..BIsolated β-bridgetrans-10098.7164-48.8-50.7000107.1F34 V231 F232 Y233 H234 H264 R265F34-N194 HydrophobicContact CE1-CB 3.98Å; F34-N194 VanDerWaalsContact CE1-ND2 3.27Å; F34-N194 WeakPolarHBondContact CE1-ND2 3.44Å; F34-N194 HydrophobicContact CE2-CB 4.48Å; F34-N194 HydrophobicContact CZ-CB 3.7Å; F34-N194 VanDerWaalsContact CZ-CG 3.46Å; N194-V231 HydrophobicContact CB-CG1 3.56Å; N194-F232 PolarHBondContact OD1-O 2.98Å; N194-Y233 WeakPolarHBondContact OD1-CA 3.11Å; N194-H234 PolarHBondContact OD1-N 3.45Å; N194-H264 PolarHBondContact N-CD2 3.37Å; N194-H264 PolarHBondContact N-NE2 3.25Å; N194-H264 CarbonylContact O-C 3.51Å; N194-H264 WeakPolarHBondContact O-CA 3.34Å; N194-R265 HydrophobicContact CB-CB 4.49Å; N194-R265 VanDerWaalsContact CB-O 3.29Å; N194-R265 WeakPolarHBondContact CB-O 3.31Å; N194-R265 PolarHBondContact ND2-O 2.97Å; N194-R265 PolarHBondContact O-N 3.38Å
195V89.3Confident81.5Confident2 Ų242.3 Ų42.31%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-92.6120.4-169.5-175.50000111.3F184 K193 P238 W240 F262 F278F184-V195 HydrophobicContact CD2-CB 4.45Å; F184-V195 HydrophobicContact CD2-CG1 3.96Å; F184-V195 HydrophobicContact CD2-CG2 4.02Å; F184-V195 HydrophobicContact CE2-CG1 3.94Å; K193-V195 HydrophobicContact CB-CG2 3.85Å; V195-P238 HydrophobicContact CB-CG 4.32Å; V195-W240 HydrophobicContact CG1-CZ2 4.18Å; V195-F262 HydrophobicContact CG1-CD1 4.35Å; V195-F278 HydrophobicContact CG1-CZ 4.18Å; V195-F278 HydrophobicContact CG2-CZ 4.41Å
196E91.5Very high81.7Confident5 Ų544.1 Ų44.12%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-101.7131.9168.2-176.4177.6-108.600109.8T228 V231 F262 R263 R265E196-T228 HydrophobicContact CG-CG2 4.41Å; E196-V231 HydrophobicContact CB-CG2 3.6Å; E196-V231 HydrophobicContact CG-CG2 4.05Å; E196-F262 WeakPolarHBondContact O-CA 3.33Å; E196-R263 PolarHBondContact N-O 2.83Å; E196-R263 PolarHBondContact O-N 3.28Å; E196-R265 HydrophobicContact CB-CG 3.82Å; E196-R265 VanDerWaalsContact CD-NH1 3.3Å; E196-R265 IonicContact OE1-CZ 3.3Å; E196-R265 IonicContact OE1-NH1 3.32Å; E196-R265 PolarHBondContact OE1-NH1 2.78Å; E196-R265 IonicContact OE2-CZ 3.45Å; E196-R265 IonicContact OE2-NH1 3.72Å; E196-R265 PolarHBondContact OE2-NH1 3.01Å
197V94.5Very high81.8Confident0 Ų043.5 Ų43.50%023%0.23CC..EExtended strand (participates in β ladder)trans-102123.2170.3-169.90000108.4L179 I199 T228 S229 W240 F260 T261 F262 F355L179-V197 HydrophobicContact CD1-CB 4.41Å; V197-I199 HydrophobicContact CG1-CG1 4.39Å; V197-T228 CarbonylContact O-C 3.29Å; V197-T228 WeakPolarHBondContact O-CA 3.46Å; V197-S229 PolarHBondContact N-OG 3.49Å; V197-S229 PolarHBondContact O-N 3.09Å; V197-W240 HydrophobicContact CG2-CD2 4.42Å; V197-W240 HydrophobicContact CG2-CH2 3.35Å; V197-W240 HydrophobicContact CG2-CZ2 3.23Å; V197-W240 HydrophobicContact CG2-CZ3 4.08Å; V197-F260 HydrophobicContact CG1-CB 4.11Å; V197-F260 HydrophobicContact CG1-CD1 4.06Å; V197-T261 CarbonylContact C-O 3.54Å; V197-T261 WeakPolarHBondContact CA-O 3.46Å; V197-F262 HydrophobicContact CG1-CD1 4.37Å; V197-F262 HydrophobicContact CG1-CE1 4.03Å; V197-F262 HydrophobicContact CG2-CD1 3.89Å; V197-F262 HydrophobicContact CG2-CE1 3.86Å; V197-F355 HydrophobicContact CG1-CZ 4.23Å; V197-F355 HydrophobicContact CG2-CE2 4.41Å
198R93.8Very high82.6Confident35 Ų3547 Ų4713%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-102.1122.9169-171177.375-171.52.7109.6Y226 Y227 T228 F260 T261 E311R198-Y226 HydrophobicContact CG-CD1 4.02Å; R198-Y226 HydrophobicContact CG-CG 4.5Å; R198-Y227 CarbonylContact C-O 3.58Å; R198-Y227 VanDerWaalsContact CA-O 3.32Å; R198-Y227 WeakPolarHBondContact CA-O 3.41Å; R198-T228 HydrophobicContact CB-CG2 4.34Å; R198-T228 HydrophobicContact CG-CG2 4.18Å; R198-F260 WeakPolarHBondContact O-CA 3.42Å; R198-T261 PolarHBondContact N-O 3.26Å; R198-T261 PolarHBondContact O-N 2.97Å; R198-E311 IonicContact CZ-OE2 3.4Å; R198-E311 IonicContact NH1-OE1 3.13Å; R198-E311 IonicContact NH1-OE2 3.3Å; R198-E311 PolarHBondContact NH1-OE2 3.21Å; R198-E311 IonicContact NH2-OE2 3.07Å; R198-E311 PolarHBondContact NH2-OE2 3.02Å
199I95Very high83.6Confident0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-102.2135.3178.4-46.1176.6000108.6L179 V197 I214 Y226 Y227 V244 I258 Q259 F260L179-I199 HydrophobicContact CD1-CD1 4.12Å; L179-I199 HydrophobicContact CD2-CD1 3.92Å; L179-I199 HydrophobicContact CG-CD1 4.17Å; V197-I199 HydrophobicContact CG1-CG1 4.39Å; I199-I214 HydrophobicContact CB-CD1 4.14Å; I199-I214 HydrophobicContact CG2-CD1 3.99Å; I199-I214 WeakPolarHBondContact O-CD1 3.41Å; I199-Y226 WeakPolarHBondContact O-CA 3.31Å; I199-Y227 HydrophobicContact CD1-CD1 3.74Å; I199-Y227 HydrophobicContact CD1-CE1 4.4Å; I199-Y227 HydrophobicContact CD1-CG 4.49Å; I199-Y227 HydrophobicContact CG1-CD1 4.23Å; I199-Y227 PolarHBondContact N-O 3.09Å; I199-Y227 PolarHBondContact O-N 3.05Å; I199-Y227 VanDerWaalsContact O-N 3.07Å; I199-V244 HydrophobicContact CD1-CG1 4.26Å; I199-V244 HydrophobicContact CD1-CG2 3.75Å; I199-I258 HydrophobicContact CG2-CG2 3.56Å; I199-Q259 WeakPolarHBondContact CA-O 3.35Å; I199-F260 HydrophobicContact CD1-CE1 4.23Å; I199-F260 HydrophobicContact CG1-CD1 3.95Å; I199-F260 HydrophobicContact CG1-CE1 4.07Å; I199-F260 HydrophobicContact CG2-CD1 4.35Å; I199-F260 HydrophobicContact CG2-CE1 4.03Å
200C92.9Very high84.7Confident1 Ų139.7 Ų39.71%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-149.5155.4166.665.30000111.5V209 Y226 I258 Q259C200-V209 HydrophobicContact CB-CG1 3.72Å; C200-Y226 HydrophobicContact CB-CD1 3.57Å; C200-Y226 HydrophobicContact CB-CE1 3.66Å; C200-I258 WeakPolarHBondContact O-CA 3.3Å; C200-Q259 PolarHBondContact N-O 3.32Å; C200-Q259 VanDerWaalsContact N-O 3.1Å; C200-Q259 PolarHBondContact O-N 3.34Å; C200-Q259 PolarHBondContact SG-OE1 2.99Å; C200-Q259 VanDerWaalsContact SG-OE1 3.41Å
201L93.2Very high85.9Confident0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-92.3130172.2-173.969.7000109V209 V210 V246 I248 V256 I258 L285L201-V209 WeakPolarHBondContact O-CA 2.81Å; L201-V210 HydrophobicContact CB-CB 4.18Å; L201-V210 HydrophobicContact CB-CG2 4.42Å; L201-V210 HydrophobicContact CD2-CB 4Å; L201-V210 HydrophobicContact CD2-CG1 4.2Å; L201-V210 HydrophobicContact CD2-CG2 4.01Å; L201-V210 HydrophobicContact CG-CB 4.21Å; L201-V210 HydrophobicContact CG-CG2 4.01Å; L201-V210 PolarHBondContact O-N 3.34Å; L201-V246 HydrophobicContact CB-CG1 4.42Å; L201-V246 HydrophobicContact CD1-CG1 4.28Å; L201-V246 HydrophobicContact CD2-CG1 4.36Å; L201-I248 HydrophobicContact CD1-CG1 4.43Å; L201-I248 HydrophobicContact CD2-CG1 3.93Å; L201-I248 HydrophobicContact CD2-CG2 4.44Å; L201-V256 HydrophobicContact CD1-CB 3.94Å; L201-V256 HydrophobicContact CD1-CG2 4.14Å; L201-V256 HydrophobicContact CG-CB 4.34Å; L201-I258 HydrophobicContact CD1-CG1 3.95Å; L201-L285 HydrophobicContact CD1-CD1 4.05Å
202V91.4Very high87.1Confident0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-118.1134.1-178.5-177.90000108.8T208 V209 V256 H257 Q259 F314V202-T208 WeakPolarHBondContact CA-O 3.1Å; V202-V209 HydrophobicContact CG2-CG2 4.46Å; V202-V256 VanDerWaalsContact O-CA 3.24Å; V202-V256 WeakPolarHBondContact O-CA 3.4Å; V202-V256 WeakPolarHBondContact O-CB 3.42Å; V202-H257 WeakPolarHBondContact CB-NE2 3.23Å; V202-H257 PolarHBondContact N-O 3.25Å; V202-H257 PolarHBondContact O-N 2.94Å; V202-Q259 HydrophobicContact CG2-CB 3.97Å; V202-F314 HydrophobicContact CB-CE1 4.43Å; V202-F314 HydrophobicContact CG1-CD1 3.85Å; V202-F314 HydrophobicContact CG1-CE1 3.77Å; V202-F314 HydrophobicContact CG1-CE2 4.47Å; V202-F314 HydrophobicContact CG1-CG 4.24Å; V202-F314 HydrophobicContact CG1-CZ 4.09Å; V202-F314 HydrophobicContact CG2-CD1 4.3Å; V202-F314 HydrophobicContact CG2-CE1 3.73Å; V202-F314 HydrophobicContact CG2-CZ 4.37Å
203D89.4Confident88.4Confident22 Ų2236 Ų3612%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-88.5119171.4172.65.1000109.6L205 T206 N207 T208 V210 V256D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 2.95Å; D203-L205 WeakPolarHBondContact OD1-CB 3.37Å; D203-L205 PolarHBondContact OD1-N 3.49Å; D203-T206 WeakPolarHBondContact CB-OG1 3.19Å; D203-T206 PolarHBondContact OD1-N 2.85Å; D203-T206 WeakPolarHBondContact OD2-CB 3.44Å; D203-T206 VanDerWaalsContact OD2-CG2 3.24Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.42Å; D203-T206 PolarHBondContact OD2-OG1 3.44Å; D203-N207 WeakPolarHBondContact O-CA 3.39Å; D203-N207 PolarHBondContact O-N 3.05Å; D203-T208 PolarHBondContact N-O 3.2Å; D203-T208 PolarHBondContact O-N 3.04Å; D203-V210 HydrophobicContact CB-CG2 4.07Å; D203-V256 HydrophobicContact CB-CG1 4.36Å
204E84.8Confident89.2Confident60 Ų6036 Ų3628%0.2819%0.191SC..THydrogen-bonded Turntrans-69.5-26.3-177.7-63.7-176.8174.700112.3N255 H257E204-N255 VanDerWaalsContact CB-O 3.3Å; E204-N255 WeakPolarHBondContact CB-O 3.26Å; E204-N255 WeakPolarHBondContact CG-O 3.48Å; E204-N255 PolarHBondContact N-O 2.92Å; E204-H257 VanDerWaalsContact CG-ND1 3.34Å; E204-H257 WeakPolarHBondContact CG-ND1 3.44Å; E204-H257 IonicContact OE1-ND1 3.71Å; E204-H257 PolarHBondContact OE1-ND1 3.49Å
205L83.3Confident88.9Confident127 Ų12736.6 Ų36.667%0.66520%0.197SC*.THydrogen-bonded Turntrans-75.1-48.3178.1-74.6161.2000111.1D203 N255D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 2.95Å; D203-L205 WeakPolarHBondContact OD1-CB 3.37Å; D203-L205 PolarHBondContact OD1-N 3.49Å; L205-N255 HydrophobicContact CD1-CB 3.85Å; L205-N255 VanDerWaalsContact CD1-ND2 3.28Å; L205-N255 WeakPolarHBondContact CD1-ND2 3.47Å; L205-N255 HydrophobicContact CG-CB 4.04Å
206T83.9Confident88.2Confident77 Ų7738.3 Ų38.347%0.47221%0.207SC..THydrogen-bonded Turntrans-87.4-15.2-177.660.50000112.9D203 T208D203-T206 WeakPolarHBondContact CB-OG1 3.19Å; D203-T206 PolarHBondContact OD1-N 2.85Å; D203-T206 WeakPolarHBondContact OD2-CB 3.44Å; D203-T206 VanDerWaalsContact OD2-CG2 3.24Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.42Å; D203-T206 PolarHBondContact OD2-OG1 3.44Å; T206-T208 WeakPolarHBondContact O-CG2 3.34Å; T206-T208 PolarHBondContact O-N 3.21Å; T206-T208 PolarHBondContact OG1-OG1 3.46Å
207N82Confident87Confident76 Ų7640.8 Ų40.841%0.40622%0.223SC..THydrogen-bonded Turntrans51.440.1-168.7-71.2-75.4000111.8D203 F314D203-N207 WeakPolarHBondContact O-CA 3.39Å; D203-N207 PolarHBondContact O-N 3.05Å; N207-F314 HydrophobicContact CB-CD2 4.01Å; N207-F314 WeakPolarHBondContact O-CD2 3.34Å; N207-F314 WeakPolarHBondContact O-CE2 3.39Å
208T87.7Confident85.4Confident75 Ų7542.4 Ų42.446%0.4624%0.24SC..EExtended strand (participates in β ladder)trans-125.1156.9178.367.70000111.8V202 D203 T206V202-T208 WeakPolarHBondContact CA-O 3.1Å; D203-T208 PolarHBondContact N-O 3.2Å; D203-T208 PolarHBondContact O-N 3.04Å; T206-T208 WeakPolarHBondContact O-CG2 3.34Å; T206-T208 PolarHBondContact O-N 3.21Å; T206-T208 PolarHBondContact OG1-OG1 3.46Å
209V89Confident83.8Confident22 Ų2243.8 Ų43.813%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-79.3125.4175.3-178.70000109.4C200 L201 V202 Q211 T225 Y226 F314C200-V209 HydrophobicContact CB-CG1 3.72Å; L201-V209 WeakPolarHBondContact O-CA 2.81Å; V202-V209 HydrophobicContact CG2-CG2 4.46Å; V209-Q211 PolarHBondContact O-N 2.84Å; V209-Q211 PolarHBondContact O-NE2 3.38Å; V209-T225 HydrophobicContact CG1-CG2 3.55Å; V209-Y226 HydrophobicContact CG1-CE1 3.98Å; V209-Y226 HydrophobicContact CG2-CE1 4.36Å; V209-F314 HydrophobicContact CG2-CZ 4.24Å
210V88.8Confident81.8Confident28 Ų2847.2 Ų47.217%0.1728%0.278CS..  trans-68.5113.8176.9-174.60000109L201 D203 S213 I252L201-V210 HydrophobicContact CB-CB 4.18Å; L201-V210 HydrophobicContact CB-CG2 4.42Å; L201-V210 HydrophobicContact CD2-CB 4Å; L201-V210 HydrophobicContact CD2-CG1 4.2Å; L201-V210 HydrophobicContact CD2-CG2 4.01Å; L201-V210 HydrophobicContact CG-CB 4.21Å; L201-V210 HydrophobicContact CG-CG2 4.01Å; L201-V210 PolarHBondContact O-N 3.34Å; D203-V210 HydrophobicContact CB-CG2 4.07Å; V210-S213 PolarHBondContact O-OG 2.97Å; V210-I252 HydrophobicContact CG1-CD1 4.32Å; V210-I252 HydrophobicContact CG2-CD1 4.19Å
211Q89.9Confident80.1Confident121 Ų12152.1 Ų52.157%0.56532%0.319SS*.THydrogen-bonded Turntrans-67.6146.1-178-59.5-61.2-4400111.5V209 S213 T225V209-Q211 PolarHBondContact O-N 2.84Å; V209-Q211 PolarHBondContact O-NE2 3.38Å; Q211-S213 PolarHBondContact O-N 2.84Å; Q211-T225 WeakPolarHBondContact CA-OG1 3.48Å; Q211-T225 PolarHBondContact OE1-OG1 3.49Å
212N88.1Confident79.1Confident94 Ų9455 Ų5550%0.50334%0.34SS..THydrogen-bonded Turntrans52.638.8173.8-59.7-25.5000114.2L223 T225N212-L223 HydrophobicContact CB-CB 3.82Å; N212-L223 WeakPolarHBondContact O-CB 3.27Å; N212-L223 PolarHBondContact OD1-O 3.35Å; N212-T225 PolarHBondContact N-OG1 3.27Å; N212-T225 VanDerWaalsContact N-OG1 3.08Å
213S87.6Confident78.6Confident3 Ų358.2 Ų58.22%0.02136%0.356CS..  trans-98.5-8.8-175.952.60000113.9V210 Q211 N224 V246 I247V210-S213 PolarHBondContact O-OG 2.97Å; Q211-S213 PolarHBondContact O-N 2.84Å; S213-N224 PolarHBondContact N-O 3.33Å; S213-V246 CarbonylContact O-C 3.55Å; S213-V246 WeakPolarHBondContact O-CA 3.44Å; S213-I247 PolarHBondContact O-N 3.46Å
214I88.8Confident78.4Confident1 Ų160.4 Ų60.41%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-117.9124.6-175.5-57.1173.7000111.2I199 N224 V244I199-I214 HydrophobicContact CB-CD1 4.14Å; I199-I214 HydrophobicContact CG2-CD1 3.99Å; I199-I214 WeakPolarHBondContact O-CD1 3.41Å; I214-N224 PolarHBondContact N-O 2.75Å; I214-N224 PolarHBondContact O-N 2.77Å; I214-V244 HydrophobicContact CG2-CB 4.19Å
215A82.8Confident78.7Confident20 Ų2058.2 Ų58.217%0.16536%0.359CS..EExtended strand (participates in β ladder)trans-104.6136.416900000110.4L223 K245 I247A215-L223 HydrophobicContact CB-CD2 3.88Å; A215-K245 HydrophobicContact CB-CB 4.22Å; A215-K245 PolarHBondContact N-O 2.75Å; A215-K245 PolarHBondContact O-N 3.32Å; A215-I247 HydrophobicContact CB-CD1 4.49Å
216T73.2Confident79Confident37 Ų3756.7 Ų56.723%0.22735%0.345CS..EExtended strand (participates in β ladder)trans-80125.7169.3-56.80000108.7G218 S219 Y227T216-G218 PolarHBondContact O-N 3.23Å; T216-S219 PolarHBondContact O-N 2.92Å; T216-Y227 HydrophobicContact CG2-CE2 4.03Å
217V66.8Low79.4Confident58 Ų5853.4 Ų53.435%0.35232%0.324SS..THydrogen-bonded Turntrans-59.7127.3-178.5179.40000109.7Y176 T243 K245Y176-V217 HydrophobicContact CD1-CG2 4.3Å; V217-T243 HydrophobicContact CG2-CG2 4.09Å; V217-T243 VanDerWaalsContact CG2-O 3.32Å; V217-T243 WeakPolarHBondContact CG2-O 3.17Å; V217-K245 HydrophobicContact CG2-CB 4.23Å
218G62Low79.9Confident34 Ų3451.8 Ų51.835%0.35132%0.316SS..THydrogen-bonded Turntrans82.5-0.5179.200000116.2F7 T216F7-G218 VanDerWaalsContact CE1-O 3.26Å; F7-G218 WeakPolarHBondContact CE1-O 3.23Å; T216-G218 PolarHBondContact O-N 3.23Å
219S58.4Low80Confident64 Ų6448.2 Ų48.245%0.44830%0.295SS..SBendtrans-95.9163.9176.2-167.80000112.2T216T216-S219 PolarHBondContact O-N 2.92Å
220S54.1Low80Confident71 Ų7147.1 Ų47.150%0.49729%0.288SS..  trans-50.8153.817498.40000111.4S222S220-S222 PolarHBondContact O-N 3.45Å; S220-S222 PolarHBondContact O-OG 3.22Å
221A57.7Low80Confident104 Ų10446 Ų4686%0.8628%0.281SS*.SBendtrans-57.28.8-173.100000117.1L223A221-L223 PolarHBondContact O-N 3.26Å; A221-L223 VanDerWaalsContact O-N 3.13Å
222S71.1Confident79.7Confident62 Ų6242.1 Ų42.143%0.43426%0.263SS..  trans-64.1110.2172.157.70000110.7S220S220-S222 PolarHBondContact O-N 3.45Å; S220-S222 PolarHBondContact O-OG 3.22Å
223L80.5Confident79.3Confident66 Ų6642.3 Ų42.335%0.34626%0.257SS..  trans-80.8137.5169.9-68.4165.8000110N212 A215 A221 I247N212-L223 HydrophobicContact CB-CB 3.82Å; N212-L223 WeakPolarHBondContact O-CB 3.27Å; N212-L223 PolarHBondContact OD1-O 3.35Å; A215-L223 HydrophobicContact CB-CD2 3.88Å; A221-L223 PolarHBondContact O-N 3.26Å; A221-L223 VanDerWaalsContact O-N 3.13Å; L223-I247 HydrophobicContact CD1-CD1 4.45Å; L223-I247 HydrophobicContact CD2-CD1 3.42Å; L223-I247 VanDerWaalsContact CD2-CD1 3.42Å; L223-I247 HydrophobicContact CD2-CG1 4.13Å
224N86.8Confident79Confident68 Ų6846.2 Ų46.236%0.36428%0.275SS..BIsolated β-bridgetrans-114.7149.2177.6-63.4-32.9000109.7S213 I214 Y226S213-N224 PolarHBondContact N-O 3.33Å; I214-N224 PolarHBondContact N-O 2.75Å; I214-N224 PolarHBondContact O-N 2.77Å; N224-Y226 WeakPolarHBondContact CB-O 3.44Å
225T89.7Confident78.8Confident15 Ų1549.5 Ų49.59%0.09229%0.29CS..SBendtrans-73.8-31.8170.3-57.20000112V209 Q211 N212V209-T225 HydrophobicContact CG1-CG2 3.55Å; Q211-T225 WeakPolarHBondContact CA-OG1 3.48Å; Q211-T225 PolarHBondContact OE1-OG1 3.49Å; N212-T225 PolarHBondContact N-OG1 3.27Å; N212-T225 VanDerWaalsContact N-OG1 3.08Å
226Y90.8Very high78.7Confident94 Ų9450.2 Ų50.237%0.36929%0.291SS..  trans-128.8143.3-178.2-58.4-83.1000110.2R198 I199 C200 V209 N224R198-Y226 HydrophobicContact CG-CD1 4.02Å; R198-Y226 HydrophobicContact CG-CG 4.5Å; I199-Y226 WeakPolarHBondContact O-CA 3.31Å; C200-Y226 HydrophobicContact CB-CD1 3.57Å; C200-Y226 HydrophobicContact CB-CE1 3.66Å; V209-Y226 HydrophobicContact CG1-CE1 3.98Å; V209-Y226 HydrophobicContact CG2-CE1 4.36Å; N224-Y226 WeakPolarHBondContact CB-O 3.44Å
227Y91.3Very high79.4Confident9 Ų954.5 Ų54.54%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-115.4135.3164.9178.1-86.8000109.5R53 R198 I199 T216 E242 V244R53-Y227 PolarHBondContact NH1-OH 3.49Å; R53-Y227 PolarHBondContact NH2-OH 2.79Å; R198-Y227 CarbonylContact C-O 3.58Å; R198-Y227 VanDerWaalsContact CA-O 3.32Å; R198-Y227 WeakPolarHBondContact CA-O 3.41Å; I199-Y227 HydrophobicContact CD1-CD1 3.74Å; I199-Y227 HydrophobicContact CD1-CE1 4.4Å; I199-Y227 HydrophobicContact CD1-CG 4.49Å; I199-Y227 HydrophobicContact CG1-CD1 4.23Å; I199-Y227 PolarHBondContact N-O 3.09Å; I199-Y227 PolarHBondContact O-N 3.05Å; I199-Y227 VanDerWaalsContact O-N 3.07Å; T216-Y227 HydrophobicContact CG2-CE2 4.03Å; Y227-E242 WeakPolarHBondContact CE1-OE2 3.34Å; Y227-E242 PolarHBondContact OH-OE2 3.25Å; Y227-V244 HydrophobicContact CD1-CG1 3.52Å; Y227-V244 HydrophobicContact CD2-CG1 3.48Å; Y227-V244 VanDerWaalsContact CD2-CG1 3.48Å; Y227-V244 HydrophobicContact CE1-CG1 3.49Å; Y227-V244 VanDerWaalsContact CE1-CG1 3.49Å; Y227-V244 HydrophobicContact CE2-CG1 3.42Å; Y227-V244 VanDerWaalsContact CE2-CG1 3.42Å; Y227-V244 HydrophobicContact CG-CG1 3.52Å; Y227-V244 VanDerWaalsContact CZ-CG1 3.43Å
228T92.2Very high80.4Confident41 Ų4151.8 Ų51.825%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-111136171.453.60000110.3R53 E196 V197 R198R53-T228 WeakPolarHBondContact CD-O 3.43Å; R53-T228 PolarHBondContact NH1-O 3.34Å; E196-T228 HydrophobicContact CG-CG2 4.41Å; V197-T228 CarbonylContact O-C 3.29Å; V197-T228 WeakPolarHBondContact O-CA 3.46Å; R198-T228 HydrophobicContact CB-CG2 4.34Å; R198-T228 HydrophobicContact CG-CG2 4.18Å
229S91.4Very high81.5Confident0 Ų056.1 Ų56.10%029%0.293CS..  trans-71164.8176.472.50000111.9V197 W240 E242V197-S229 PolarHBondContact N-OG 3.49Å; V197-S229 PolarHBondContact O-N 3.09Å; S229-W240 PolarHBondContact OG-NE1 2.88Å; S229-E242 WeakPolarHBondContact CA-OE2 3.38Å
230S88.3Confident82.8Confident0 Ų053.4 Ų53.40%027%0.272CS..BIsolated β-bridgetrans-65.4150.4164.2-54.70000111.5R53 T55 W240 E242R53-S230 CarbonylContact O-C 3.09Å; R53-S230 VanDerWaalsContact O-CA 3.25Å; R53-S230 WeakPolarHBondContact O-CA 3.44Å; T55-S230 PolarHBondContact OG1-OG 2.77Å; S230-W240 VanDerWaalsContact O-CD1 3.23Å; S230-W240 PolarHBondContact O-NE1 2.82Å; S230-E242 WeakPolarHBondContact CB-OE1 3.37Å; S230-E242 PolarHBondContact N-OE1 2.89Å; S230-E242 PolarHBondContact N-OE2 2.79Å; S230-E242 PolarHBondContact OG-OE1 2.7Å
231V88Confident84Confident3 Ų354.9 Ų54.92%0.01827%0.27CS..  trans-117.3123.6179.9-176.30000109.3F34 V52 R53 N194 E196 R265F34-V231 HydrophobicContact CD2-CB 4.44Å; F34-V231 HydrophobicContact CD2-CG1 4.26Å; F34-V231 HydrophobicContact CE2-CB 4.04Å; F34-V231 HydrophobicContact CE2-CG1 3.61Å; F34-V231 HydrophobicContact CZ-CG1 4.05Å; V52-V231 HydrophobicContact CG1-CB 3.55Å; V52-V231 HydrophobicContact CG1-CG1 4.39Å; V52-V231 HydrophobicContact CG1-CG2 3.4Å; V52-V231 VanDerWaalsContact CG1-CG2 3.4Å; R53-V231 PolarHBondContact O-N 3.14Å; N194-V231 HydrophobicContact CB-CG1 3.56Å; E196-V231 HydrophobicContact CB-CG2 3.6Å; E196-V231 HydrophobicContact CG-CG2 4.05Å; V231-R265 HydrophobicContact CG1-CB 4.3Å; V231-R265 HydrophobicContact CG1-CG 4.46Å; V231-R265 HydrophobicContact CG2-CG 4.12Å
232F83.6Confident85.4Confident41 Ų4150.9 Ų50.918%0.1823%0.234CC..  trans-98142.1177.2-53.3-69.3000110.2N194 Q235 P238 W240N194-F232 PolarHBondContact OD1-O 2.98Å; F232-Q235 HydrophobicContact CB-CB 3.74Å; F232-Q235 HydrophobicContact CB-CG 4.28Å; F232-P238 HydrophobicContact CD2-CB 4.17Å; F232-W240 AromaticContact CE2-CD1 3.92Å
233Y80.9Confident86.2Confident97 Ų9749.6 Ų49.638%0.3822%0.223SC..THydrogen-bonded Turntrans-73.4127.1-176.7-165.2-101.3000110.6F34 N194 Q235F34-Y233 AromaticContact CE1-CD2 3.65Å; F34-Y233 HydrophobicContact CE1-CD2 3.65Å; F34-Y233 HydrophobicContact CE1-CE2 4.05Å; F34-Y233 AromaticContact CZ-CD2 3.62Å; F34-Y233 HydrophobicContact CZ-CD2 3.62Å; F34-Y233 HydrophobicContact CZ-CE2 4.47Å; F34-Y233 HydrophobicContact CZ-CG 4.45Å; N194-Y233 WeakPolarHBondContact OD1-CA 3.11Å; Y233-Q235 VanDerWaalsContact C-N 3.26Å; Y233-Q235 PolarHBondContact O-N 2.84Å
234H81.8Confident86.7Confident85 Ų8546.5 Ų46.539%0.39421%0.207SC..THydrogen-bonded Turntrans49.639.5-177.4-66.4-52.4000114.8D192 N194D192-H234 VanDerWaalsContact CB-CE1 3.41Å; D192-H234 WeakPolarHBondContact CB-CE1 3.38Å; D192-H234 WeakPolarHBondContact CB-ND1 3.36Å; D192-H234 VanDerWaalsContact CG-CE1 3.42Å; D192-H234 IonicContact OD2-CE1 3.5Å; D192-H234 PolarHBondContact OD2-CE1 3.27Å; D192-H234 IonicContact OD2-ND1 3.19Å; N194-H234 PolarHBondContact OD1-N 3.45Å
235Q82.8Confident86.9Confident71 Ų7145.2 Ų45.233%0.33220%0.198SC..BIsolated β-bridgetrans-115.997.6179.7-174.457.9-88.500111.2K193 F232 Y233 R237 P238K193-Q235 CarbonylContact O-C 3.57Å; K193-Q235 PolarHBondContact O-N 2.89Å; K193-Q235 VanDerWaalsContact O-O 3.05Å; F232-Q235 HydrophobicContact CB-CB 3.74Å; F232-Q235 HydrophobicContact CB-CG 4.28Å; Y233-Q235 VanDerWaalsContact C-N 3.26Å; Y233-Q235 PolarHBondContact O-N 2.84Å; Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 VanDerWaalsContact OE1-N 3.14Å; Q235-P238 HydrophobicContact CG-CB 4.28Å
236D82Confident86.8Confident35 Ų3544.6 Ų44.619%0.18719%0.194CC..SBendtrans-84.9-8.1176.268.1-14.2000113.7F184 T185 K193 P238F184-D236 PolarHBondContact N-O 3.33Å; T185-D236 WeakPolarHBondContact CG2-OD2 3.48Å; K193-D236 HydrophobicContact CB-CB 3.82Å; K193-D236 HydrophobicContact CD-CB 4.11Å; K193-D236 HydrophobicContact CG-CB 4.09Å; D236-P238 WeakPolarHBondContact O-CD 3.44Å
237R86.7Confident86.6Confident126 Ų12643.1 Ų43.148%0.47519%0.192SC..SBendtrans-118.256.9173.2-57.6173.293.780.45.9111.9G182 D183 T185 Q235G182-R237 CarbonylContact O-C 3.49Å; G182-R237 VanDerWaalsContact O-C 3.29Å; G182-R237 WeakPolarHBondContact O-CA 3.37Å; D183-R237 IonicContact OD1-CZ 2.79Å; D183-R237 IonicContact OD1-NH1 2.77Å; D183-R237 PolarHBondContact OD1-NH1 3.04Å; D183-R237 IonicContact OD2-CZ 2.89Å; D183-R237 IonicContact OD2-NH1 3.74Å; D183-R237 PolarHBondContact OD2-NH1 3.17Å; D183-R237 IonicContact OD2-NH2 3.53Å; D183-R237 PolarHBondContact OD2-NH2 3.18Å; T185-R237 HydrophobicContact CG2-CG 4.42Å; Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 VanDerWaalsContact OE1-N 3.14Å
238P87.7Confident86.1Confident2 Ų242.9 Ų42.91%0.01319%0.192CC..  trans-65.7146.2-172.329.7-38.1000112.6C181 G182 F184 V195 F232 Q235 D236 W240C181-P238 CarbonylContact C-O 3.55Å; C181-P238 VanDerWaalsContact CA-O 3.25Å; C181-P238 WeakPolarHBondContact CA-O 3.45Å; C181-P238 WeakPolarHBondContact CB-O 3.33Å; G182-P238 PolarHBondContact N-O 3.47Å; G182-P238 WeakPolarHBondContact O-CD 3.4Å; F184-P238 HydrophobicContact CD2-CG 4.42Å; F184-P238 HydrophobicContact CE2-CG 4.19Å; V195-P238 HydrophobicContact CB-CG 4.32Å; F232-P238 HydrophobicContact CD2-CB 4.17Å; Q235-P238 HydrophobicContact CG-CB 4.28Å; D236-P238 WeakPolarHBondContact O-CD 3.44Å; P238-W240 HydrophobicContact CB-CD2 4.17Å; P238-W240 HydrophobicContact CB-CE3 4.49Å; P238-W240 HydrophobicContact CB-CH2 4.08Å; P238-W240 HydrophobicContact CB-CZ2 3.63Å; P238-W240 HydrophobicContact CB-CZ3 4.45Å; P238-W240 HydrophobicContact CG-CD2 4.41Å; P238-W240 HydrophobicContact CG-CE3 4.41Å; P238-W240 HydrophobicContact CG-CH2 3.28Å; P238-W240 HydrophobicContact CG-CZ2 3.17Å; P238-W240 HydrophobicContact CG-CZ3 3.89Å
239R86.7Confident85.4Confident125 Ų12543.8 Ų43.847%0.47220%0.198SC..EExtended strand (participates in β ladder)trans-121.5108166.2-59.4-171.9179.5-174.60.7108.3E104 A180 C181 F241E104-R239 IonicContact OE2-NH1 3.17Å; E104-R239 PolarHBondContact OE2-NH1 3.19Å; E104-R239 VanDerWaalsContact OE2-NH1 3.09Å; A180-R239 WeakPolarHBondContact O-CA 3.42Å; C181-R239 HydrophobicContact CB-CB 4.47Å; C181-R239 HydrophobicContact CB-CG 3.93Å; R239-F241 HydrophobicContact CB-CD2 4Å; R239-F241 HydrophobicContact CB-CE2 3.72Å; R239-F241 HydrophobicContact CG-CE2 4.47Å
240W85.6Confident84.5Confident6 Ų646.8 Ų46.82%0.02322%0.216CC..EExtended strand (participates in β ladder)trans-84.5-44.2-171.1-66.9-80.5000112.4L179 A180 F184 V195 V197 S229 S230 F232 P238 E242 F355L179-W240 HydrophobicContact CB-CB 3.82Å; L179-W240 HydrophobicContact CB-CD2 4.47Å; L179-W240 HydrophobicContact CB-CE3 4.24Å; L179-W240 HydrophobicContact CB-CG 4.35Å; L179-W240 HydrophobicContact CD1-CB 4.42Å; L179-W240 HydrophobicContact CD1-CG 4.41Å; A180-W240 PolarHBondContact O-N 2.88Å; F184-W240 AromaticContact CE2-CH2 3.79Å; F184-W240 HydrophobicContact CE2-CH2 3.79Å; F184-W240 HydrophobicContact CZ-CH2 4.28Å; V195-W240 HydrophobicContact CG1-CZ2 4.18Å; V197-W240 HydrophobicContact CG2-CD2 4.42Å; V197-W240 HydrophobicContact CG2-CH2 3.35Å; V197-W240 HydrophobicContact CG2-CZ2 3.23Å; V197-W240 HydrophobicContact CG2-CZ3 4.08Å; S229-W240 PolarHBondContact OG-NE1 2.88Å; S230-W240 VanDerWaalsContact O-CD1 3.23Å; S230-W240 PolarHBondContact O-NE1 2.82Å; F232-W240 AromaticContact CE2-CD1 3.92Å; P238-W240 HydrophobicContact CB-CD2 4.17Å; P238-W240 HydrophobicContact CB-CE3 4.49Å; P238-W240 HydrophobicContact CB-CH2 4.08Å; P238-W240 HydrophobicContact CB-CZ2 3.63Å; P238-W240 HydrophobicContact CB-CZ3 4.45Å; P238-W240 HydrophobicContact CG-CD2 4.41Å; P238-W240 HydrophobicContact CG-CE3 4.41Å; P238-W240 HydrophobicContact CG-CH2 3.28Å; P238-W240 HydrophobicContact CG-CZ2 3.17Å; P238-W240 HydrophobicContact CG-CZ3 3.89Å; W240-E242 HydrophobicContact CB-CB 4.36Å; W240-E242 HydrophobicContact CB-CG 4.2Å; W240-E242 PolarHBondContact O-N 2.99Å; W240-F355 HydrophobicContact CE3-CE2 4.41Å; W240-F355 HydrophobicContact CH2-CD2 4.42Å; W240-F355 HydrophobicContact CH2-CE2 4.19Å; W240-F355 AromaticContact CZ3-CD2 3.97Å; W240-F355 HydrophobicContact CZ3-CD2 3.97Å; W240-F355 AromaticContact CZ3-CE2 3.67Å; W240-F355 HydrophobicContact CZ3-CE2 3.67Å
241F78.7Confident84Confident102 Ų10253.1 Ų53.145%0.44725%0.25SS..EExtended strand (participates in β ladder)trans52.538.3-172.3-70.5-85000112.4E104 L179 R239E104-F241 HydrophobicContact CB-CD2 3.72Å; E104-F241 HydrophobicContact CB-CE2 3.47Å; E104-F241 VanDerWaalsContact CB-CE2 3.47Å; E104-F241 HydrophobicContact CB-CG 4.38Å; E104-F241 HydrophobicContact CB-CZ 3.98Å; E104-F241 HydrophobicContact CG-CD2 4.34Å; E104-F241 HydrophobicContact CG-CE1 4.21Å; E104-F241 HydrophobicContact CG-CE2 3.76Å; E104-F241 HydrophobicContact CG-CZ 3.72Å; E104-F241 VanDerWaalsContact OE1-CZ 3.3Å; E104-F241 WeakPolarHBondContact OE1-CZ 3.47Å; E104-F241 WeakPolarHBondContact OE2-CE2 3.21Å; E104-F241 WeakPolarHBondContact OE2-CZ 3.38Å; L179-F241 PolarHBondContact O-N 2.87Å; R239-F241 HydrophobicContact CB-CD2 4Å; R239-F241 HydrophobicContact CB-CE2 3.72Å; R239-F241 HydrophobicContact CG-CE2 4.47Å
242E86.5Confident83.6Confident20 Ų2054.7 Ų54.79%0.09326%0.258CS..EExtended strand (participates in β ladder)trans-108.6128.1-179.8-69.6-179.7-161.900110.3S178 L179 Y227 S229 S230 W240S178-E242 CarbonylContact C-O 3.56Å; S178-E242 WeakPolarHBondContact CA-O 3.35Å; L179-E242 PolarHBondContact N-O 3.37Å; Y227-E242 WeakPolarHBondContact CE1-OE2 3.34Å; Y227-E242 PolarHBondContact OH-OE2 3.25Å; S229-E242 WeakPolarHBondContact CA-OE2 3.38Å; S230-E242 WeakPolarHBondContact CB-OE1 3.37Å; S230-E242 PolarHBondContact N-OE1 2.89Å; S230-E242 PolarHBondContact N-OE2 2.79Å; S230-E242 PolarHBondContact OG-OE1 2.7Å; W240-E242 HydrophobicContact CB-CB 4.36Å; W240-E242 HydrophobicContact CB-CG 4.2Å; W240-E242 PolarHBondContact O-N 2.99Å
243T89.2Confident83.5Confident36 Ų3653.2 Ų53.222%0.22125%0.251CS..EExtended strand (participates in β ladder)trans-106.4132.5175.5-51.50000110.6M160 Y176 V177 S178 V217M160-T243 HydrophobicContact SD-CG2 3.94Å; Y176-T243 HydrophobicContact CD1-CG2 4.4Å; V177-T243 WeakPolarHBondContact O-CA 3.46Å; S178-T243 WeakPolarHBondContact OG-CG2 3.36Å; S178-T243 PolarHBondContact OG-OG1 3.22Å; V217-T243 HydrophobicContact CG2-CG2 4.09Å; V217-T243 VanDerWaalsContact CG2-O 3.32Å; V217-T243 WeakPolarHBondContact CG2-O 3.17Å
244V90.3Very high83.2Confident0 Ų049.9 Ų49.90%025%0.246CC..EExtended strand (participates in β ladder)trans-118.1149.2172.3-59.40000110Y176 V177 I199 I214 Y227 V246Y176-V244 WeakPolarHBondContact CA-O 3.44Å; V177-V244 HydrophobicContact CB-CG2 3.98Å; V177-V244 PolarHBondContact N-O 3.42Å; V177-V244 WeakPolarHBondContact O-CG2 3.26Å; V177-V244 PolarHBondContact O-N 3.13Å; I199-V244 HydrophobicContact CD1-CG1 4.26Å; I199-V244 HydrophobicContact CD1-CG2 3.75Å; I214-V244 HydrophobicContact CG2-CB 4.19Å; Y227-V244 HydrophobicContact CD1-CG1 3.52Å; Y227-V244 HydrophobicContact CD2-CG1 3.48Å; Y227-V244 VanDerWaalsContact CD2-CG1 3.48Å; Y227-V244 HydrophobicContact CE1-CG1 3.49Å; Y227-V244 VanDerWaalsContact CE1-CG1 3.49Å; Y227-V244 HydrophobicContact CE2-CG1 3.42Å; Y227-V244 VanDerWaalsContact CE2-CG1 3.42Å; Y227-V244 HydrophobicContact CG-CG1 3.52Å; Y227-V244 VanDerWaalsContact CZ-CG1 3.43Å; V244-V246 HydrophobicContact CG2-CG2 4.39Å
245K90.4Very high83.3Confident42 Ų4249 Ų4918%0.18325%0.245CC..EExtended strand (participates in β ladder)trans-100.7121.4172.3173.1175.3169.6164.10108.3D174 L175 Y176 A215 V217 I247D174-K245 WeakPolarHBondContact OD1-CE 3.32Å; D174-K245 IonicContact OD1-NZ 2.66Å; D174-K245 PolarHBondContact OD1-NZ 3.44Å; D174-K245 IonicContact OD2-NZ 3.26Å; D174-K245 PolarHBondContact OD2-NZ 2.88Å; L175-K245 CarbonylContact O-C 3.51Å; Y176-K245 HydrophobicContact CD1-CB 4.08Å; Y176-K245 HydrophobicContact CD1-CG 4.5Å; Y176-K245 HydrophobicContact CE1-CB 4.01Å; Y176-K245 HydrophobicContact CE1-CD 4.07Å; Y176-K245 HydrophobicContact CE1-CG 4.17Å; A215-K245 HydrophobicContact CB-CB 4.22Å; A215-K245 PolarHBondContact N-O 2.75Å; A215-K245 PolarHBondContact O-N 3.32Å; V217-K245 HydrophobicContact CG2-CB 4.23Å; K245-I247 HydrophobicContact CG-CG1 4.34Å
246V89Confident83.7Confident1 Ų145.8 Ų45.81%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-99.1120.2173.8-169.90000107.5L175 V177 L201 S213 V244 I248 I258L175-V246 HydrophobicContact CB-CB 4.35Å; L175-V246 HydrophobicContact CD2-CB 4.41Å; L175-V246 HydrophobicContact CG-CB 4.47Å; L175-V246 PolarHBondContact N-O 3.39Å; L175-V246 PolarHBondContact O-N 3.09Å; V177-V246 HydrophobicContact CG2-CG2 3.98Å; L201-V246 HydrophobicContact CB-CG1 4.42Å; L201-V246 HydrophobicContact CD1-CG1 4.28Å; L201-V246 HydrophobicContact CD2-CG1 4.36Å; S213-V246 CarbonylContact O-C 3.55Å; S213-V246 WeakPolarHBondContact O-CA 3.44Å; V244-V246 HydrophobicContact CG2-CG2 4.39Å; V246-I248 HydrophobicContact CG1-CD1 4.19Å; V246-I248 HydrophobicContact CG1-CG1 3.88Å; V246-I258 HydrophobicContact CB-CD1 4.46Å; V246-I258 HydrophobicContact CG1-CD1 4.37Å; V246-I258 HydrophobicContact CG2-CD1 3.95Å
247I85.3Confident84.2Confident63 Ų6344.1 Ų44.132%0.32322%0.221SC..EExtended strand (participates in β ladder)trans-95.8120.2178.1-54.4-166.1000107.7S213 A215 L223 K245S213-I247 PolarHBondContact O-N 3.46Å; A215-I247 HydrophobicContact CB-CD1 4.49Å; L223-I247 HydrophobicContact CD1-CD1 4.45Å; L223-I247 HydrophobicContact CD2-CD1 3.42Å; L223-I247 VanDerWaalsContact CD2-CD1 3.42Å; L223-I247 HydrophobicContact CD2-CG1 4.13Å; K245-I247 HydrophobicContact CG-CG1 4.34Å
248I80.4Confident84.6Confident5 Ų538.2 Ų38.23%0.02620%0.198CC..  trans-125.6117.8-173.4-54.5152.2000107.6L175 L201 V246 V250 I252 Y253 V256 L285L175-I248 HydrophobicContact CB-CD1 3.88Å; L175-I248 HydrophobicContact CD2-CD1 3.75Å; L175-I248 HydrophobicContact CG-CD1 4.49Å; L201-I248 HydrophobicContact CD1-CG1 4.43Å; L201-I248 HydrophobicContact CD2-CG1 3.93Å; L201-I248 HydrophobicContact CD2-CG2 4.44Å; V246-I248 HydrophobicContact CG1-CD1 4.19Å; V246-I248 HydrophobicContact CG1-CG1 3.88Å; I248-V250 PolarHBondContact O-N 3.08Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; I248-Y253 HydrophobicContact CB-CD2 3.83Å; I248-Y253 HydrophobicContact CB-CE2 4.12Å; I248-Y253 HydrophobicContact CD1-CD2 4.01Å; I248-Y253 HydrophobicContact CD1-CE2 3.49Å; I248-Y253 VanDerWaalsContact CD1-CE2 3.49Å; I248-Y253 HydrophobicContact CG1-CE2 4.43Å; I248-Y253 HydrophobicContact CG2-CD2 3.45Å; I248-Y253 VanDerWaalsContact CG2-CD2 3.45Å; I248-Y253 HydrophobicContact CG2-CE2 4.14Å; I248-Y253 HydrophobicContact CG2-CG 4.11Å; I248-V256 HydrophobicContact CG2-CG2 4.08Å; I248-L285 HydrophobicContact CD1-CD1 3.26Å; I248-L285 HydrophobicContact CG1-CD1 4.18Å
249P77.9Confident84.9Confident60 Ų6038.5 Ų38.539%0.3920%0.2SC..  trans-56.2132.8167.5-21.732000110.5D251 I252 Y253P249-D251 WeakPolarHBondContact CB-OD1 3.33Å; P249-D251 PolarHBondContact O-N 3.06Å; P249-I252 HydrophobicContact CB-CD1 4.41Å; P249-I252 HydrophobicContact CB-CG1 4.1Å; P249-I252 HydrophobicContact CG-CD1 4.06Å; P249-I252 HydrophobicContact CG-CG1 4.27Å; P249-I252 WeakPolarHBondContact O-CG1 3.35Å; P249-I252 PolarHBondContact O-N 3.02Å; P249-Y253 PolarHBondContact O-N 2.89Å
250V72.9Confident85.3Confident62 Ų6232.6 Ų32.638%0.37618%0.177SC..THydrogen-bonded Turntrans-59.3-34-172.6-178.60000111.9N173 I248 I252 Y253N173-V250 HydrophobicContact CB-CG2 4.16Å; N173-V250 WeakPolarHBondContact ND2-CG2 3.4Å; I248-V250 PolarHBondContact O-N 3.08Å; V250-I252 VanDerWaalsContact C-N 3.35Å; V250-I252 PolarHBondContact O-N 2.9Å; V250-Y253 WeakPolarHBondContact O-CB 3.49Å; V250-Y253 PolarHBondContact O-N 3.32Å
251D77.2Confident85.7Confident134 Ų13432.8 Ų32.872%0.71718%0.179SC*.THydrogen-bonded Turntrans-65.3-31.2-178.954.8-57.8000113.9P249P249-D251 WeakPolarHBondContact CB-OD1 3.33Å; P249-D251 PolarHBondContact O-N 3.06Å
252I80.4Confident86.4Confident36 Ų3627.9 Ų27.919%0.18516%0.158CC..THydrogen-bonded Turntrans-98.1-7.7179.869.3174.3000113.5V210 I248 P249 V250 G254 N255 V256V210-I252 HydrophobicContact CG1-CD1 4.32Å; V210-I252 HydrophobicContact CG2-CD1 4.19Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; P249-I252 HydrophobicContact CB-CD1 4.41Å; P249-I252 HydrophobicContact CB-CG1 4.1Å; P249-I252 HydrophobicContact CG-CD1 4.06Å; P249-I252 HydrophobicContact CG-CG1 4.27Å; P249-I252 WeakPolarHBondContact O-CG1 3.35Å; P249-I252 PolarHBondContact O-N 3.02Å; V250-I252 VanDerWaalsContact C-N 3.35Å; V250-I252 PolarHBondContact O-N 2.9Å; I252-G254 PolarHBondContact O-N 3.38Å; I252-N255 PolarHBondContact O-N 2.78Å; I252-V256 HydrophobicContact CB-CG1 4.16Å; I252-V256 HydrophobicContact CD1-CG1 3.91Å; I252-V256 HydrophobicContact CG1-CG1 3.97Å; I252-V256 WeakPolarHBondContact O-CG1 3.39Å
253Y80.4Confident86.6Confident10 Ų1029.2 Ų29.24%0.03916%0.162CC..G310 helixtrans-53.6-31.8-171.4-158.2-77000113.5I248 P249 V250 N255 V256 L285 V292 L366I248-Y253 HydrophobicContact CB-CD2 3.83Å; I248-Y253 HydrophobicContact CB-CE2 4.12Å; I248-Y253 HydrophobicContact CD1-CD2 4.01Å; I248-Y253 HydrophobicContact CD1-CE2 3.49Å; I248-Y253 VanDerWaalsContact CD1-CE2 3.49Å; I248-Y253 HydrophobicContact CG1-CE2 4.43Å; I248-Y253 HydrophobicContact CG2-CD2 3.45Å; I248-Y253 VanDerWaalsContact CG2-CD2 3.45Å; I248-Y253 HydrophobicContact CG2-CE2 4.14Å; I248-Y253 HydrophobicContact CG2-CG 4.11Å; P249-Y253 PolarHBondContact O-N 2.89Å; V250-Y253 WeakPolarHBondContact O-CB 3.49Å; V250-Y253 PolarHBondContact O-N 3.32Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.85Å; Y253-V256 WeakPolarHBondContact O-CG2 3.45Å; Y253-L285 HydrophobicContact CD1-CB 4.21Å; Y253-L285 HydrophobicContact CE1-CB 3.63Å; Y253-L285 WeakPolarHBondContact CE1-O 3.44Å; Y253-L285 HydrophobicContact CE2-CD1 4.49Å; Y253-V292 HydrophobicContact CE1-CB 3.97Å; Y253-V292 HydrophobicContact CE1-CG2 3.36Å; Y253-V292 VanDerWaalsContact CZ-CG2 3.46Å; Y253-V292 WeakPolarHBondContact OH-CG2 3.37Å; Y253-L366 HydrophobicContact CD1-CD1 3.47Å; Y253-L366 VanDerWaalsContact CD1-CD1 3.47Å; Y253-L366 HydrophobicContact CD2-CD1 3.58Å; Y253-L366 HydrophobicContact CE1-CD1 3.84Å; Y253-L366 HydrophobicContact CE2-CD1 3.93Å; Y253-L366 HydrophobicContact CG-CD1 3.37Å
254G75.3Confident86.6Confident26 Ų2628.3 Ų28.327%0.26816%0.155SC..G310 helixtrans-72.2-20.3179.800000115.8I252I252-G254 PolarHBondContact O-N 3.38Å
255N84.9Confident86.4Confident68 Ų6829.1 Ų29.136%0.36416%0.158SC..G310 helixtrans-126.130.2-170.6-55-45.1000111.8E204 L205 I252 Y253E204-N255 VanDerWaalsContact CB-O 3.3Å; E204-N255 WeakPolarHBondContact CB-O 3.26Å; E204-N255 WeakPolarHBondContact CG-O 3.48Å; E204-N255 PolarHBondContact N-O 2.92Å; L205-N255 HydrophobicContact CD1-CB 3.85Å; L205-N255 VanDerWaalsContact CD1-ND2 3.28Å; L205-N255 WeakPolarHBondContact CD1-ND2 3.47Å; L205-N255 HydrophobicContact CG-CB 4.04Å; I252-N255 PolarHBondContact O-N 2.78Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.85Å
256V90.3Very high86Confident2 Ų228 Ų281%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-127.6148.2-179.6-68.10000111.8L201 V202 D203 I248 I252 Y253 L285L201-V256 HydrophobicContact CD1-CB 3.94Å; L201-V256 HydrophobicContact CD1-CG2 4.14Å; L201-V256 HydrophobicContact CG-CB 4.34Å; V202-V256 VanDerWaalsContact O-CA 3.24Å; V202-V256 WeakPolarHBondContact O-CA 3.4Å; V202-V256 WeakPolarHBondContact O-CB 3.42Å; D203-V256 HydrophobicContact CB-CG1 4.36Å; I248-V256 HydrophobicContact CG2-CG2 4.08Å; I252-V256 HydrophobicContact CB-CG1 4.16Å; I252-V256 HydrophobicContact CD1-CG1 3.91Å; I252-V256 HydrophobicContact CG1-CG1 3.97Å; I252-V256 WeakPolarHBondContact O-CG1 3.39Å; Y253-V256 WeakPolarHBondContact O-CG2 3.45Å; V256-L285 HydrophobicContact CG2-CD1 3.86Å; V256-L285 HydrophobicContact CG2-CG 4.39Å; V256-L285 PolarHBondContact O-N 3.32Å
257H92.6Very high85.4Confident1 Ų131.1 Ų31.11%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-132.1155.1170.167.2-91.8000111.1V202 E204 F282 I283 R284 Y316V202-H257 WeakPolarHBondContact CB-NE2 3.23Å; V202-H257 PolarHBondContact N-O 3.25Å; V202-H257 PolarHBondContact O-N 2.94Å; E204-H257 VanDerWaalsContact CG-ND1 3.34Å; E204-H257 WeakPolarHBondContact CG-ND1 3.44Å; E204-H257 IonicContact OE1-ND1 3.71Å; E204-H257 PolarHBondContact OE1-ND1 3.49Å; H257-F282 HydrophobicContact CB-CD2 4.33Å; H257-I283 VanDerWaalsContact CA-O 3.32Å; H257-I283 WeakPolarHBondContact CA-O 3.35Å; H257-I283 VanDerWaalsContact CB-O 3.28Å; H257-I283 WeakPolarHBondContact CB-O 3.28Å; H257-R284 HydrophobicContact CB-CG 4.45Å; H257-Y316 AromaticContact NE2-CE2 3.76Å; H257-Y316 AromaticContact NE2-CZ 3.78Å; H257-Y316 PolarHBondContact NE2-OH 2.82Å
258I94.6Very high85.2Confident1 Ų131.5 Ų31.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-92.7126.8171.8-60.5174000108.3L175 V177 I199 C200 L201 V246 F260 F282 I283 L285L175-I258 HydrophobicContact CD2-CD1 3.58Å; V177-I258 HydrophobicContact CG2-CD1 3.77Å; I199-I258 HydrophobicContact CG2-CG2 3.56Å; C200-I258 WeakPolarHBondContact O-CA 3.3Å; L201-I258 HydrophobicContact CD1-CG1 3.95Å; V246-I258 HydrophobicContact CB-CD1 4.46Å; V246-I258 HydrophobicContact CG1-CD1 4.37Å; V246-I258 HydrophobicContact CG2-CD1 3.95Å; I258-F260 HydrophobicContact CB-CE2 4.18Å; I258-F260 HydrophobicContact CB-CZ 4.28Å; I258-F260 HydrophobicContact CG2-CD2 4.34Å; I258-F260 HydrophobicContact CG2-CE1 4.01Å; I258-F260 HydrophobicContact CG2-CE2 3.68Å; I258-F260 HydrophobicContact CG2-CZ 3.48Å; I258-F260 VanDerWaalsContact CG2-CZ 3.48Å; I258-F282 CarbonylContact O-C 3.59Å; I258-F282 WeakPolarHBondContact O-CA 3.43Å; I258-F282 WeakPolarHBondContact O-CB 3.37Å; I258-I283 HydrophobicContact CB-CG2 4.08Å; I258-I283 PolarHBondContact N-O 3.03Å; I258-I283 PolarHBondContact O-N 3.23Å; I258-L285 HydrophobicContact CD1-CD2 3.98Å; I258-L285 HydrophobicContact CG1-CD1 4.43Å; I258-L285 HydrophobicContact CG1-CD2 4.12Å
259Q94.5Very high84.8Confident9 Ų934.5 Ų34.54%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-98.8135.6173.7-175.3-16765.300110.2I199 C200 V202 T261 V280 Y316I199-Q259 WeakPolarHBondContact CA-O 3.35Å; C200-Q259 PolarHBondContact N-O 3.32Å; C200-Q259 VanDerWaalsContact N-O 3.1Å; C200-Q259 PolarHBondContact O-N 3.34Å; C200-Q259 PolarHBondContact SG-OE1 2.99Å; C200-Q259 VanDerWaalsContact SG-OE1 3.41Å; V202-Q259 HydrophobicContact CG2-CB 3.97Å; Q259-T261 PolarHBondContact OE1-OG1 3.38Å; Q259-V280 HydrophobicContact CG-CG2 3.61Å; Q259-Y316 VanDerWaalsContact CG-OH 3.24Å; Q259-Y316 WeakPolarHBondContact CG-OH 3.23Å; Q259-Y316 PolarHBondContact NE2-OH 3.18Å
260F96.1Very high84.8Confident0 Ų035.9 Ų35.90%021%0.205CC..EExtended strand (participates in β ladder)trans-116.8113.2172.5-55.8-88.9000108.8V177 L179 V197 R198 I199 I258 F262 V280 S281 I283 L300 F355 I357V177-F260 HydrophobicContact CG1-CE1 4.14Å; V177-F260 HydrophobicContact CG1-CZ 4Å; L179-F260 HydrophobicContact CD2-CD1 4.23Å; L179-F260 HydrophobicContact CD2-CE1 4.02Å; V197-F260 HydrophobicContact CG1-CB 4.11Å; V197-F260 HydrophobicContact CG1-CD1 4.06Å; R198-F260 WeakPolarHBondContact O-CA 3.42Å; I199-F260 HydrophobicContact CD1-CE1 4.23Å; I199-F260 HydrophobicContact CG1-CD1 3.95Å; I199-F260 HydrophobicContact CG1-CE1 4.07Å; I199-F260 HydrophobicContact CG2-CD1 4.35Å; I199-F260 HydrophobicContact CG2-CE1 4.03Å; I258-F260 HydrophobicContact CB-CE2 4.18Å; I258-F260 HydrophobicContact CB-CZ 4.28Å; I258-F260 HydrophobicContact CG2-CD2 4.34Å; I258-F260 HydrophobicContact CG2-CE1 4.01Å; I258-F260 HydrophobicContact CG2-CE2 3.68Å; I258-F260 HydrophobicContact CG2-CZ 3.48Å; I258-F260 VanDerWaalsContact CG2-CZ 3.48Å; F260-F262 HydrophobicContact CB-CZ 4.12Å; F260-V280 CarbonylContact O-C 3.5Å; F260-V280 VanDerWaalsContact O-CA 3.28Å; F260-V280 WeakPolarHBondContact O-CA 3.45Å; F260-V280 WeakPolarHBondContact O-CG2 3.45Å; F260-S281 PolarHBondContact N-O 2.92Å; F260-S281 PolarHBondContact O-N 3.35Å; F260-I283 HydrophobicContact CE2-CG2 4.05Å; F260-L300 HydrophobicContact CD2-CD1 3.82Å; F260-L300 HydrophobicContact CE2-CD1 3.68Å; F260-F355 HydrophobicContact CB-CE1 3.83Å; F260-F355 HydrophobicContact CB-CZ 4.35Å; F260-F355 AromaticContact CD1-CE1 3.69Å; F260-F355 HydrophobicContact CD1-CE1 3.69Å; F260-F355 AromaticContact CD1-CZ 3.8Å; F260-F355 HydrophobicContact CD1-CZ 3.8Å; F260-F355 AromaticContact CD2-CE1 3.94Å; F260-F355 HydrophobicContact CD2-CE1 3.94Å; F260-F355 HydrophobicContact CE1-CE1 4.21Å; F260-F355 HydrophobicContact CE1-CZ 4.31Å; F260-F355 HydrophobicContact CE2-CE1 4.43Å; F260-F355 AromaticContact CG-CE1 3.54Å; F260-F355 HydrophobicContact CG-CE1 3.54Å; F260-F355 HydrophobicContact CG-CZ 4.09Å; F260-I357 HydrophobicContact CE1-CG2 4.26Å; F260-I357 HydrophobicContact CE2-CD1 4.14Å; F260-I357 HydrophobicContact CZ-CD1 3.86Å; F260-I357 HydrophobicContact CZ-CG2 4.18Å
261T93.5Very high85.2Confident10 Ų1039.3 Ų39.36%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-106.3129.9-179.1-60.10000109.7V197 R198 Q259 P277V197-T261 CarbonylContact C-O 3.54Å; V197-T261 WeakPolarHBondContact CA-O 3.46Å; R198-T261 PolarHBondContact N-O 3.26Å; R198-T261 PolarHBondContact O-N 2.97Å; Q259-T261 PolarHBondContact OE1-OG1 3.38Å; T261-P277 HydrophobicContact CG2-CB 3.35Å; T261-P277 HydrophobicContact CG2-CG 3.56Å
262F93.1Very high85.3Confident0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-104.7122.9-177.4-51.6-76.6000111F184 V195 E196 V197 F260 P277 F278 A279 S281 F355F184-F262 AromaticContact CE1-CD1 3.68Å; F184-F262 HydrophobicContact CE1-CD1 3.68Å; F184-F262 HydrophobicContact CE1-CD2 4.01Å; F184-F262 AromaticContact CE1-CE1 3.76Å; F184-F262 HydrophobicContact CE1-CE1 3.76Å; F184-F262 HydrophobicContact CE1-CE2 4.07Å; F184-F262 AromaticContact CE1-CG 3.82Å; F184-F262 HydrophobicContact CE1-CG 3.82Å; F184-F262 AromaticContact CE1-CZ 3.95Å; F184-F262 HydrophobicContact CE1-CZ 3.95Å; F184-F262 HydrophobicContact CE2-CD1 4.35Å; F184-F262 HydrophobicContact CE2-CE1 4.45Å; F184-F262 AromaticContact CZ-CD1 3.48Å; F184-F262 HydrophobicContact CZ-CD1 3.48Å; F184-F262 VanDerWaalsContact CZ-CD1 3.48Å; F184-F262 AromaticContact CZ-CE1 3.39Å; F184-F262 HydrophobicContact CZ-CE1 3.39Å; F184-F262 HydrophobicContact CZ-CE2 4.5Å; F184-F262 HydrophobicContact CZ-CG 4.12Å; F184-F262 AromaticContact CZ-CZ 3.94Å; F184-F262 HydrophobicContact CZ-CZ 3.94Å; V195-F262 HydrophobicContact CG1-CD1 4.35Å; E196-F262 WeakPolarHBondContact O-CA 3.33Å; V197-F262 HydrophobicContact CG1-CD1 4.37Å; V197-F262 HydrophobicContact CG1-CE1 4.03Å; V197-F262 HydrophobicContact CG2-CD1 3.89Å; V197-F262 HydrophobicContact CG2-CE1 3.86Å; F260-F262 HydrophobicContact CB-CZ 4.12Å; F262-P277 CarbonylContact O-C 3.6Å; F262-P277 VanDerWaalsContact O-CA 3.25Å; F262-P277 WeakPolarHBondContact O-CA 3.4Å; F262-F278 HydrophobicContact CB-CD2 4.42Å; F262-F278 HydrophobicContact CB-CE1 3.94Å; F262-F278 HydrophobicContact CB-CE2 3.79Å; F262-F278 HydrophobicContact CB-CZ 3.52Å; F262-F278 WeakPolarHBondContact O-CD1 3.46Å; F262-F278 PolarHBondContact O-N 3.46Å; F262-A279 HydrophobicContact CB-CB 4.33Å; F262-A279 HydrophobicContact CD2-CB 3.77Å; F262-A279 WeakPolarHBondContact CD2-O 3.46Å; F262-A279 HydrophobicContact CG-CB 4.48Å; F262-A279 PolarHBondContact N-O 3.26Å; F262-S281 WeakPolarHBondContact CE2-OG 3.36Å; F262-F355 HydrophobicContact CE1-CD1 4.24Å; F262-F355 AromaticContact CE1-CD2 3.81Å; F262-F355 HydrophobicContact CE1-CD2 3.81Å; F262-F355 HydrophobicContact CE1-CE1 4.34Å; F262-F355 AromaticContact CE1-CE2 3.92Å; F262-F355 HydrophobicContact CE1-CE2 3.92Å; F262-F355 AromaticContact CE1-CG 3.96Å; F262-F355 HydrophobicContact CE1-CG 3.96Å; F262-F355 HydrophobicContact CE1-CZ 4.17Å; F262-F355 HydrophobicContact CZ-CB 4.01Å; F262-F355 AromaticContact CZ-CD1 3.61Å; F262-F355 HydrophobicContact CZ-CD1 3.61Å; F262-F355 AromaticContact CZ-CD2 3.94Å; F262-F355 HydrophobicContact CZ-CD2 3.94Å; F262-F355 AromaticContact CZ-CE1 3.96Å; F262-F355 HydrophobicContact CZ-CE1 3.96Å; F262-F355 HydrophobicContact CZ-CE2 4.27Å; F262-F355 AromaticContact CZ-CG 3.58Å; F262-F355 HydrophobicContact CZ-CG 3.58Å; F262-F355 HydrophobicContact CZ-CZ 4.26Å
263R89.8Confident85.3Confident48 Ų4837.4 Ų37.418%0.18120%0.199CC..EExtended strand (participates in β ladder)trans-126.3143.7179.7178.1179.9-911360.7110.3E196 E275 E311E196-R263 PolarHBondContact N-O 2.83Å; E196-R263 PolarHBondContact O-N 3.28Å; R263-E275 PolarHBondContact NE-O 3.12Å; R263-E311 IonicContact CZ-OE1 2.99Å; R263-E311 IonicContact NH2-OE1 3.95Å; R263-E311 PolarHBondContact NH2-OE1 2.99Å
264H89Confident85.1Confident16 Ų1639.8 Ų39.87%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-80.8136.7169.1179.2-108.1000109.3R190 D192 N194 E275R190-H264 PolarHBondContact NH1-ND1 2.87Å; D192-H264 PolarHBondContact O-NE2 3.21Å; N194-H264 PolarHBondContact N-CD2 3.37Å; N194-H264 PolarHBondContact N-NE2 3.25Å; N194-H264 CarbonylContact O-C 3.51Å; N194-H264 WeakPolarHBondContact O-CA 3.34Å; H264-E275 HydrophobicContact CB-CG 3.87Å; H264-E275 WeakPolarHBondContact O-CG 3.37Å
265R87.7Confident85.5Confident18 Ų1840.1 Ų40.17%0.06822%0.221CC..  trans-107.2131.3171.2-57.4-54.4-63.4-106.1-4.7111.1V52 N194 E196 V231 D272V52-R265 HydrophobicContact CG1-CG 4.47Å; V52-R265 HydrophobicContact CG2-CB 4.18Å; V52-R265 HydrophobicContact CG2-CG 3.95Å; N194-R265 HydrophobicContact CB-CB 4.49Å; N194-R265 VanDerWaalsContact CB-O 3.29Å; N194-R265 WeakPolarHBondContact CB-O 3.31Å; N194-R265 PolarHBondContact ND2-O 2.97Å; N194-R265 PolarHBondContact O-N 3.38Å; E196-R265 HydrophobicContact CB-CG 3.82Å; E196-R265 VanDerWaalsContact CD-NH1 3.3Å; E196-R265 IonicContact OE1-CZ 3.3Å; E196-R265 IonicContact OE1-NH1 3.32Å; E196-R265 PolarHBondContact OE1-NH1 2.78Å; E196-R265 IonicContact OE2-CZ 3.45Å; E196-R265 IonicContact OE2-NH1 3.72Å; E196-R265 PolarHBondContact OE2-NH1 3.01Å; V231-R265 HydrophobicContact CG1-CB 4.3Å; V231-R265 HydrophobicContact CG1-CG 4.46Å; V231-R265 HydrophobicContact CG2-CG 4.12Å; R265-D272 VanDerWaalsContact CA-OD1 3.25Å; R265-D272 WeakPolarHBondContact CA-OD1 3.48Å; R265-D272 IonicContact CZ-OD1 2.81Å; R265-D272 IonicContact CZ-OD2 2.75Å; R265-D272 IonicContact NE-OD1 3.18Å; R265-D272 PolarHBondContact NE-OD1 3.36Å; R265-D272 IonicContact NE-OD2 3.84Å; R265-D272 PolarHBondContact NE-OD2 3.22Å; R265-D272 IonicContact NH2-OD2 3.05Å; R265-D272 PolarHBondContact NH2-OD2 3.25Å
266S82Confident85.4Confident18 Ų1844.2 Ų44.213%0.12623%0.231CC..  trans-101.4142.7178.3-165.90000110.8N268 D272S266-N268 PolarHBondContact O-N 2.96Å; S266-N268 PolarHBondContact OG-N 3.43Å; S266-D272 PolarHBondContact N-OD1 2.76Å
267S76.6Confident85.3Confident66 Ų6645.1 Ų45.146%0.46224%0.238SC..SBendtrans-70.5-12.6168.452.10000112.5F34F34-S267 VanDerWaalsContact O-CA 3.31Å; F34-S267 WeakPolarHBondContact O-CA 3.4Å
268N80.1Confident85.2Confident71 Ų7146 Ų4638%0.3824%0.241SC..SBendtrans-94.9106.9171.2-176.2-24.6000109.6S266 S270 K271 D272S266-N268 PolarHBondContact O-N 2.96Å; S266-N268 PolarHBondContact OG-N 3.43Å; N268-S270 PolarHBondContact O-N 2.86Å; N268-S270 VanDerWaalsContact O-N 3.15Å; N268-S270 WeakPolarHBondContact OD1-CB 3.33Å; N268-S270 PolarHBondContact OD1-N 2.88Å; N268-S270 VanDerWaalsContact OD1-N 3.08Å; N268-S270 PolarHBondContact OD1-OG 3.13Å; N268-K271 HydrophobicContact CB-CB 4.24Å; N268-K271 HydrophobicContact CB-CD 4.29Å; N268-K271 HydrophobicContact CB-CG 4.23Å; N268-K271 PolarHBondContact O-N 3.12Å; N268-D272 PolarHBondContact O-N 2.73Å
269E72.5Confident85Confident68 Ų6846 Ų4632%0.31824%0.241SC..Hα-helixtrans-52.3-37.7-178.9-164.1-169.3157.800113.3K271 D272 K273E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 2.96Å; E269-D272 PolarHBondContact O-N 3.47Å; E269-K273 WeakPolarHBondContact O-CG 3.46Å; E269-K273 PolarHBondContact O-N 2.91Å; E269-K273 WeakPolarHBondContact OE1-CE 3.38Å; E269-K273 IonicContact OE1-NZ 3.32Å; E269-K273 PolarHBondContact OE1-NZ 3.26Å
270S77.7Confident84.9Confident89 Ų8945.6 Ų45.662%0.62224%0.24SC*.Hα-helixtrans-66.8-34.117970.20000112.7N268N268-S270 PolarHBondContact O-N 2.86Å; N268-S270 VanDerWaalsContact O-N 3.15Å; N268-S270 WeakPolarHBondContact OD1-CB 3.33Å; N268-S270 PolarHBondContact OD1-N 2.88Å; N268-S270 VanDerWaalsContact OD1-N 3.08Å; N268-S270 PolarHBondContact OD1-OG 3.13Å
271K80.5Confident84.8Confident134 Ų13445.6 Ų45.658%0.58324%0.24SC*.Hα-helixtrans-76.9-39.3173.6-68.1-173.8177.4-178.30111N268 E269 G274 E275N268-K271 HydrophobicContact CB-CB 4.24Å; N268-K271 HydrophobicContact CB-CD 4.29Å; N268-K271 HydrophobicContact CB-CG 4.23Å; N268-K271 PolarHBondContact O-N 3.12Å; E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 2.96Å; K271-G274 PolarHBondContact O-N 2.95Å; K271-E275 PolarHBondContact O-N 3.42Å
272D81Confident84.9Confident9 Ų945.1 Ų45.15%0.04824%0.237CC..Hα-helixtrans-62.2-42.8-178.5-162.359.7000112.4T50 R265 S266 N268 E269 G274 E275T50-D272 WeakPolarHBondContact CB-OD2 3.18Å; T50-D272 PolarHBondContact OG1-OD2 2.87Å; R265-D272 VanDerWaalsContact CA-OD1 3.25Å; R265-D272 WeakPolarHBondContact CA-OD1 3.48Å; R265-D272 IonicContact CZ-OD1 2.81Å; R265-D272 IonicContact CZ-OD2 2.75Å; R265-D272 IonicContact NE-OD1 3.18Å; R265-D272 PolarHBondContact NE-OD1 3.36Å; R265-D272 IonicContact NE-OD2 3.84Å; R265-D272 PolarHBondContact NE-OD2 3.22Å; R265-D272 IonicContact NH2-OD2 3.05Å; R265-D272 PolarHBondContact NH2-OD2 3.25Å; S266-D272 PolarHBondContact N-OD1 2.76Å; N268-D272 PolarHBondContact O-N 2.73Å; E269-D272 PolarHBondContact O-N 3.47Å; D272-G274 PolarHBondContact O-N 2.96Å; D272-E275 WeakPolarHBondContact O-CB 3.41Å; D272-E275 PolarHBondContact O-N 2.9Å
273K78.5Confident85Confident122 Ų12245.2 Ų45.253%0.5324%0.237SC..THydrogen-bonded Turntrans-59.2-29176.9-76.7178.7-176.5171.40113.9S49 T50 E269S49-K273 WeakPolarHBondContact OG-CE 3.19Å; S49-K273 PolarHBondContact OG-NZ 2.67Å; T50-K273 HydrophobicContact CG2-CG 4.13Å; E269-K273 WeakPolarHBondContact O-CG 3.46Å; E269-K273 PolarHBondContact O-N 2.91Å; E269-K273 WeakPolarHBondContact OE1-CE 3.38Å; E269-K273 IonicContact OE1-NZ 3.32Å; E269-K273 PolarHBondContact OE1-NZ 3.26Å
274G77.9Confident85.1Confident59 Ų5946.1 Ų46.161%0.60824%0.241SC*.THydrogen-bonded Turntrans-91.9-5178.700000114.3K271 D272 R276K271-G274 PolarHBondContact O-N 2.95Å; D272-G274 PolarHBondContact O-N 2.96Å; G274-R276 PolarHBondContact O-N 3.35Å
275E82.5Confident85.1Confident34 Ų3445.4 Ų45.416%0.15924%0.237CC..PPolyproline II helixtrans-80.3117-170.8-161.965.8-141.300110.8R190 R263 H264 K271 D272R190-E275 IonicContact CZ-OE1 2.96Å; R190-E275 IonicContact CZ-OE2 3.73Å; R190-E275 VanDerWaalsContact NH1-CD 3.31Å; R190-E275 IonicContact NH1-OE1 3.47Å; R190-E275 PolarHBondContact NH1-OE1 3.41Å; R190-E275 IonicContact NH1-OE2 3.53Å; R190-E275 PolarHBondContact NH1-OE2 3Å; R190-E275 IonicContact NH2-OE1 3.63Å; R190-E275 IonicContact NH2-OE2 2.71Å; R190-E275 PolarHBondContact NH2-OE2 3.03Å; R263-E275 PolarHBondContact NE-O 3.12Å; H264-E275 HydrophobicContact CB-CG 3.87Å; H264-E275 WeakPolarHBondContact O-CG 3.37Å; K271-E275 PolarHBondContact O-N 3.42Å; D272-E275 WeakPolarHBondContact O-CB 3.41Å; D272-E275 PolarHBondContact O-N 2.9Å
276R83.9Confident85.2Confident153 Ų15351 Ų5158%0.57726%0.258SS*.PPolyproline II helixtrans-89.2156.4179.4-65.2-177.7-178.1-169.2-7110.4G274 F278 A307G274-R276 PolarHBondContact O-N 3.35Å; R276-F278 PolarHBondContact O-N 2.74Å; R276-A307 PolarHBondContact NH1-O 2.95Å
277P87.9Confident85.4Confident22 Ų2252.5 Ų52.514%0.14326%0.264CS..EExtended strand (participates in β ladder)trans-58.1139.5169.1-22.535.8000111T261 F262 L305T261-P277 HydrophobicContact CG2-CB 3.35Å; T261-P277 HydrophobicContact CG2-CG 3.56Å; F262-P277 CarbonylContact O-C 3.6Å; F262-P277 VanDerWaalsContact O-CA 3.25Å; F262-P277 WeakPolarHBondContact O-CA 3.4Å; P277-L305 HydrophobicContact CB-CD1 3.65Å; P277-L305 WeakPolarHBondContact O-CD1 3.23Å
278F89.1Confident85.6Confident19 Ų1956 Ų568%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-103.2-21-177.663.7-99.6000113F184 C187 T188 V195 F262 R276 L305F184-F278 HydrophobicContact CB-CE2 4.36Å; F184-F278 HydrophobicContact CB-CZ 4.45Å; F184-F278 HydrophobicContact CD1-CE2 4.02Å; F184-F278 HydrophobicContact CD1-CZ 4.35Å; F184-F278 HydrophobicContact CG-CE2 4.36Å; F184-F278 HydrophobicContact CG-CZ 4.37Å; C187-F278 HydrophobicContact CB-CD2 3.69Å; C187-F278 HydrophobicContact CB-CE2 3.79Å; T188-F278 HydrophobicContact CG2-CB 3.77Å; T188-F278 HydrophobicContact CG2-CD1 4.5Å; T188-F278 HydrophobicContact CG2-CD2 4.17Å; T188-F278 HydrophobicContact CG2-CG 3.91Å; V195-F278 HydrophobicContact CG1-CZ 4.18Å; V195-F278 HydrophobicContact CG2-CZ 4.41Å; F262-F278 HydrophobicContact CB-CD2 4.42Å; F262-F278 HydrophobicContact CB-CE1 3.94Å; F262-F278 HydrophobicContact CB-CE2 3.79Å; F262-F278 HydrophobicContact CB-CZ 3.52Å; F262-F278 WeakPolarHBondContact O-CD1 3.46Å; F262-F278 PolarHBondContact O-N 3.46Å; R276-F278 PolarHBondContact O-N 2.74Å; F278-L305 PolarHBondContact O-N 3.09Å
279A91Very high85.6Confident0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-151.3164.4177.800000111.9F262 V302 Y303F262-A279 HydrophobicContact CB-CB 4.33Å; F262-A279 HydrophobicContact CD2-CB 3.77Å; F262-A279 WeakPolarHBondContact CD2-O 3.46Å; F262-A279 HydrophobicContact CG-CB 4.48Å; F262-A279 PolarHBondContact N-O 3.26Å; A279-V302 HydrophobicContact CB-CG1 3.76Å; A279-Y303 CarbonylContact C-O 3.57Å; A279-Y303 WeakPolarHBondContact CA-O 3.41Å; A279-Y303 WeakPolarHBondContact CB-O 3.43Å
280V92.4Very high86.1Confident2 Ų252.9 Ų52.91%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-137.9148.3173.872.20000110.5Q259 F260 Y303 L305 Y316 F347Q259-V280 HydrophobicContact CG-CG2 3.61Å; F260-V280 CarbonylContact O-C 3.5Å; F260-V280 VanDerWaalsContact O-CA 3.28Å; F260-V280 WeakPolarHBondContact O-CA 3.45Å; F260-V280 WeakPolarHBondContact O-CG2 3.45Å; V280-Y303 PolarHBondContact N-O 3.29Å; V280-Y303 PolarHBondContact O-N 2.94Å; V280-L305 HydrophobicContact CB-CD2 4.44Å; V280-L305 HydrophobicContact CG1-CD2 4.17Å; V280-Y316 HydrophobicContact CG1-CD1 4.42Å; V280-Y316 HydrophobicContact CG2-CE1 4.45Å; V280-F347 HydrophobicContact CG1-CD1 3.56Å; V280-F347 HydrophobicContact CG1-CE1 3.66Å
281S95.3Very high86.7Confident0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-132.7160.4165.9-71.60000108.7F260 F262 V301 V302F260-S281 PolarHBondContact N-O 2.92Å; F260-S281 PolarHBondContact O-N 3.35Å; F262-S281 WeakPolarHBondContact CE2-OG 3.36Å; S281-V301 WeakPolarHBondContact CB-O 3.41Å; S281-V301 PolarHBondContact OG-O 3.42Å; S281-V302 WeakPolarHBondContact OG-CA 3.4Å
282F95Very high87.1Confident0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-152.8160.4176.873.6-73.3000111.8H257 I258 R284 Y303 Y316 L319 S321H257-F282 HydrophobicContact CB-CD2 4.33Å; I258-F282 CarbonylContact O-C 3.59Å; I258-F282 WeakPolarHBondContact O-CA 3.43Å; I258-F282 WeakPolarHBondContact O-CB 3.37Å; F282-R284 HydrophobicContact CE2-CG 4.31Å; F282-Y303 HydrophobicContact CE1-CE2 4.05Å; F282-Y316 HydrophobicContact CB-CD2 4.43Å; F282-Y316 HydrophobicContact CB-CE2 3.82Å; F282-Y316 AromaticContact CD1-CD2 3.47Å; F282-Y316 HydrophobicContact CD1-CD2 3.47Å; F282-Y316 VanDerWaalsContact CD1-CD2 3.47Å; F282-Y316 AromaticContact CD1-CE2 3.74Å; F282-Y316 HydrophobicContact CD1-CE2 3.74Å; F282-Y316 HydrophobicContact CD2-CD2 4.33Å; F282-Y316 HydrophobicContact CD2-CE2 4.1Å; F282-Y316 AromaticContact CE1-CD2 3.64Å; F282-Y316 HydrophobicContact CE1-CD2 3.64Å; F282-Y316 HydrophobicContact CE1-CE2 4.29Å; F282-Y316 HydrophobicContact CE2-CD2 4.45Å; F282-Y316 AromaticContact CG-CD2 3.84Å; F282-Y316 HydrophobicContact CG-CD2 3.84Å; F282-Y316 AromaticContact CG-CE2 3.62Å; F282-Y316 HydrophobicContact CG-CE2 3.62Å; F282-Y316 HydrophobicContact CZ-CD2 4.11Å; F282-Y316 WeakPolarHBondContact CZ-O 3.27Å; F282-L319 VanDerWaalsContact CZ-O 3.29Å; F282-L319 WeakPolarHBondContact CZ-O 3.13Å; F282-S321 VanDerWaalsContact O-CB 3.22Å; F282-S321 WeakPolarHBondContact O-CB 3.05Å
283I94.5Very high87.6Confident1 Ų142.7 Ų42.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-138.1134173.9-164.9172.2000110.6H257 I258 F260 L293 H298 L300 I357H257-I283 VanDerWaalsContact CA-O 3.32Å; H257-I283 WeakPolarHBondContact CA-O 3.35Å; H257-I283 VanDerWaalsContact CB-O 3.28Å; H257-I283 WeakPolarHBondContact CB-O 3.28Å; I258-I283 HydrophobicContact CB-CG2 4.08Å; I258-I283 PolarHBondContact N-O 3.03Å; I258-I283 PolarHBondContact O-N 3.23Å; F260-I283 HydrophobicContact CE2-CG2 4.05Å; I283-L293 HydrophobicContact CD1-CD1 3.73Å; I283-L293 HydrophobicContact CD1-CD2 3.68Å; I283-L293 HydrophobicContact CD1-CG 4.36Å; I283-L293 HydrophobicContact CG1-CD1 4.2Å; I283-L293 HydrophobicContact CG1-CD2 4.32Å; I283-H298 HydrophobicContact CD1-CB 3.9Å; I283-L300 HydrophobicContact CB-CD1 4.42Å; I283-L300 HydrophobicContact CB-CD2 4.04Å; I283-L300 HydrophobicContact CD1-CD2 4.03Å; I283-L300 HydrophobicContact CG1-CD2 4.2Å; I283-I357 HydrophobicContact CD1-CD1 4.07Å; I283-I357 HydrophobicContact CG2-CD1 4.1Å
284R91.4Very high88.1Confident68 Ų6842.3 Ų42.326%0.25722%0.221SC..EExtended strand (participates in β ladder)trans-82.7141.1175.6-62.4-177.4-172.185.6-3.5110.2H257 F282 H317 L319 S321H257-R284 HydrophobicContact CB-CG 4.45Å; F282-R284 HydrophobicContact CE2-CG 4.31Å; R284-H317 PolarHBondContact NH2-O 3.42Å; R284-L319 PolarHBondContact NH2-O 3.21Å; R284-S321 PolarHBondContact NH1-OG 2.73Å
285L90.2Very high88.7Confident0 Ų042.7 Ų42.70%021%0.208CC..SBendtrans-89.4-22-177.1-56.9-167.7000113.1L175 L201 I248 Y253 V256 I258 V292 L293L175-L285 HydrophobicContact CD2-CD1 3.84Å; L175-L285 HydrophobicContact CD2-CD2 3.59Å; L175-L285 HydrophobicContact CD2-CG 4.4Å; L201-L285 HydrophobicContact CD1-CD1 4.05Å; I248-L285 HydrophobicContact CD1-CD1 3.26Å; I248-L285 HydrophobicContact CG1-CD1 4.18Å; Y253-L285 HydrophobicContact CD1-CB 4.21Å; Y253-L285 HydrophobicContact CE1-CB 3.63Å; Y253-L285 WeakPolarHBondContact CE1-O 3.44Å; Y253-L285 HydrophobicContact CE2-CD1 4.49Å; V256-L285 HydrophobicContact CG2-CD1 3.86Å; V256-L285 HydrophobicContact CG2-CG 4.39Å; V256-L285 PolarHBondContact O-N 3.32Å; I258-L285 HydrophobicContact CD1-CD2 3.98Å; I258-L285 HydrophobicContact CG1-CD1 4.43Å; I258-L285 HydrophobicContact CG1-CD2 4.12Å; L285-V292 CarbonylContact O-C 3.59Å; L285-L293 HydrophobicContact CD2-CD2 4.29Å; L285-L293 PolarHBondContact O-N 3.44Å
286R88.6Confident89.1Confident136 Ų13642.5 Ų42.551%0.51322%0.216SC..BIsolated β-bridgetrans-104.6133.9172.1-177.7176.3168138.41.1110.5
287Q87.1Confident89.6Confident50 Ų5043 Ų4323%0.23422%0.218CC..  trans-85.1162.5175.9-66.4-171.2-5.300111.5N289 G290 T291Q287-N289 WeakPolarHBondContact CB-OD1 3.44Å; Q287-N289 PolarHBondContact O-N 3.48Å; Q287-N289 PolarHBondContact OE1-ND2 3.35Å; Q287-G290 PolarHBondContact O-N 3.18Å; Q287-T291 WeakPolarHBondContact CB-O 3.45Å; Q287-T291 PolarHBondContact N-O 3.35Å; Q287-T291 PolarHBondContact OE1-OG1 3.4Å
288S79.9Confident90Very high138 Ų13843.1 Ų43.197%0.96522%0.216SC*.THydrogen-bonded Turntrans-63.2-26-179.351.90000114G290S288-G290 VanDerWaalsContact C-N 3.27Å
289N81.9Confident90.2Very high59 Ų5945.1 Ų45.132%0.31623%0.228SC..THydrogen-bonded Turntrans-78.5-5.6173.360.28000113.5Q287 T291 V370Q287-N289 WeakPolarHBondContact CB-OD1 3.44Å; Q287-N289 PolarHBondContact O-N 3.48Å; Q287-N289 PolarHBondContact OE1-ND2 3.35Å; N289-T291 PolarHBondContact ND2-OG1 2.86Å; N289-T291 PolarHBondContact OD1-N 2.68Å; N289-T291 PolarHBondContact OD1-OG1 3.43Å; N289-V370 HydrophobicContact CB-CG1 4.42Å; N289-V370 HydrophobicContact CB-CG2 4.07Å; N289-V370 WeakPolarHBondContact ND2-CG2 3.24Å
290G82.5Confident90.4Very high16 Ų1645.5 Ų45.517%0.16523%0.23CC..SBendtrans93.9-9.3-17900000115.8Q287 S288 L373Q287-G290 PolarHBondContact O-N 3.18Å; S288-G290 VanDerWaalsContact C-N 3.27Å; G290-L373 WeakPolarHBondContact O-CD2 3.41Å
291T89Confident90.4Very high2 Ų245.9 Ų45.91%0.01223%0.232CC..  trans-77.5163178.160.90000111.7Q287 N289 T367 V370 L373Q287-T291 WeakPolarHBondContact CB-O 3.45Å; Q287-T291 PolarHBondContact N-O 3.35Å; Q287-T291 PolarHBondContact OE1-OG1 3.4Å; N289-T291 PolarHBondContact ND2-OG1 2.86Å; N289-T291 PolarHBondContact OD1-N 2.68Å; N289-T291 PolarHBondContact OD1-OG1 3.43Å; T291-T367 WeakPolarHBondContact CB-O 3.46Å; T291-V370 HydrophobicContact CG2-CB 4.28Å; T291-V370 HydrophobicContact CG2-CG2 3.75Å; T291-L373 HydrophobicContact CG2-CB 4.33Å; T291-L373 HydrophobicContact CG2-CD2 3.92Å
292V90.2Very high90.2Very high6 Ų645.9 Ų45.94%0.03623%0.232CC..BIsolated β-bridgetrans-69.2156.3169.353.40000111Y253 L285 K294 V361 L366 T367 Q368Y253-V292 HydrophobicContact CE1-CB 3.97Å; Y253-V292 HydrophobicContact CE1-CG2 3.36Å; Y253-V292 VanDerWaalsContact CZ-CG2 3.46Å; Y253-V292 WeakPolarHBondContact OH-CG2 3.37Å; L285-V292 CarbonylContact O-C 3.59Å; V292-K294 PolarHBondContact O-N 3.12Å; V292-V361 HydrophobicContact CG1-CG1 4.4Å; V292-V361 HydrophobicContact CG2-CB 4.48Å; V292-V361 HydrophobicContact CG2-CG1 3.81Å; V292-V361 HydrophobicContact CG2-CG2 4Å; V292-L366 HydrophobicContact CB-CB 4.08Å; V292-L366 HydrophobicContact CG1-CB 3.86Å; V292-T367 WeakPolarHBondContact CG1-O 3.34Å; V292-T367 PolarHBondContact N-O 3.48Å; V292-Q368 HydrophobicContact CG1-CG 3.75Å
293L90.8Very high90Very high10 Ų1045.9 Ų45.95%0.05223%0.232CC..  trans-43.3133170.5-177.366.5000111.2I283 L285 T359 Q368I283-L293 HydrophobicContact CD1-CD1 3.73Å; I283-L293 HydrophobicContact CD1-CD2 3.68Å; I283-L293 HydrophobicContact CD1-CG 4.36Å; I283-L293 HydrophobicContact CG1-CD1 4.2Å; I283-L293 HydrophobicContact CG1-CD2 4.32Å; L285-L293 HydrophobicContact CD2-CD2 4.29Å; L285-L293 PolarHBondContact O-N 3.44Å; L293-T359 HydrophobicContact CD2-CG2 3.82Å; L293-Q368 PolarHBondContact O-NE2 3.13Å
294K88.9Confident89.7Confident114 Ų11450.4 Ų50.450%0.49625%0.249SC..  trans-75.1142.2178.7-76.1-179.6-179.3-171.90111.7V292 H298 T359V292-K294 PolarHBondContact O-N 3.12Å; K294-H298 PolarHBondContact O-CE1 2.75Å; K294-H298 PolarHBondContact O-NE2 2.94Å; K294-H298 VanDerWaalsContact O-NE2 3.14Å; K294-T359 PolarHBondContact O-OG1 2.86Å
295D90.5Very high89.4Confident66 Ų6648.9 Ų48.935%0.35325%0.246SC..SBendtrans-63.7145.8173.8-72.81000111.5T359 V360 V361 Q368D295-T359 WeakPolarHBondContact CA-O 3.14Å; D295-V360 WeakPolarHBondContact OD1-CA 3.45Å; D295-V361 WeakPolarHBondContact OD1-CB 3.33Å; D295-V361 PolarHBondContact OD1-N 3.21Å; D295-Q368 PolarHBondContact OD1-NE2 2.96Å
296G91.6Very high88.8Confident30 Ų3051.3 Ų51.331%0.30927%0.266SS..EExtended strand (participates in β ladder)trans125-152.9173.400000113.7H298 N358 T359G296-H298 PolarHBondContact O-CD2 3.48Å; G296-H298 PolarHBondContact O-NE2 3Å; G296-N358 CarbonylContact O-C 3.39Å; G296-N358 WeakPolarHBondContact O-CA 3.39Å; G296-T359 PolarHBondContact N-O 3.15Å; G296-T359 PolarHBondContact O-N 3.12Å
297R94.7Very high87.9Confident164 Ų16448.8 Ų48.862%0.61927%0.274SS*.EExtended strand (participates in β ladder)trans-89.1133.9-173.8-179.4-178.4163.8171.9-0.4110.6D299 T356R297-D299 IonicContact CZ-OD1 2.64Å; R297-D299 IonicContact CZ-OD2 2.67Å; R297-D299 IonicContact NE-OD1 2.97Å; R297-D299 PolarHBondContact NE-OD1 2.91Å; R297-D299 IonicContact NE-OD2 3.95Å; R297-D299 IonicContact NH2-OD1 2.76Å; R297-D299 PolarHBondContact NH2-OD1 3.25Å; R297-D299 IonicContact NH2-OD2 3.41Å; R297-T356 HydrophobicContact CG-CG2 3.58Å
298H94.8Very high87.1Confident24 Ų2455.9 Ų55.911%0.11130%0.304CS..EExtended strand (participates in β ladder)trans-124.6121.6173.9-49.5-84.5000110.1I283 K294 G296 L300 T356 I357 T359I283-H298 HydrophobicContact CD1-CB 3.9Å; K294-H298 PolarHBondContact O-CE1 2.75Å; K294-H298 PolarHBondContact O-NE2 2.94Å; K294-H298 VanDerWaalsContact O-NE2 3.14Å; G296-H298 PolarHBondContact O-CD2 3.48Å; G296-H298 PolarHBondContact O-NE2 3Å; H298-L300 HydrophobicContact CB-CD2 4.05Å; H298-T356 WeakPolarHBondContact O-CA 3.31Å; H298-I357 HydrophobicContact CB-CG1 3.94Å; H298-I357 PolarHBondContact N-O 3.06Å; H298-I357 PolarHBondContact O-N 3.31Å; H298-T359 PolarHBondContact NE2-OG1 3.45Å
299D94.9Very high86.6Confident62 Ų6251 Ų5133%0.33227%0.267SS..EExtended strand (participates in β ladder)trans-92108.7172-64-36.8000108.5R297 T322 R323 T356R297-D299 IonicContact CZ-OD1 2.64Å; R297-D299 IonicContact CZ-OD2 2.67Å; R297-D299 IonicContact NE-OD1 2.97Å; R297-D299 PolarHBondContact NE-OD1 2.91Å; R297-D299 IonicContact NE-OD2 3.95Å; R297-D299 IonicContact NH2-OD1 2.76Å; R297-D299 PolarHBondContact NH2-OD1 3.25Å; R297-D299 IonicContact NH2-OD2 3.41Å; D299-T322 WeakPolarHBondContact O-CA 3.46Å; D299-R323 HydrophobicContact CB-CB 4.38Å; D299-R323 PolarHBondContact O-N 3.14Å; D299-T356 VanDerWaalsContact OD1-CG2 3.31Å; D299-T356 WeakPolarHBondContact OD1-CG2 3.42Å; D299-T356 PolarHBondContact OD1-OG1 3.22Å
300L95.4Very high86Confident7 Ų755.1 Ų55.14%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-89148.6-174.3-56.7-170000111.6F260 I283 H298 T322 F355 I357F260-L300 HydrophobicContact CD2-CD1 3.82Å; F260-L300 HydrophobicContact CE2-CD1 3.68Å; I283-L300 HydrophobicContact CB-CD1 4.42Å; I283-L300 HydrophobicContact CB-CD2 4.04Å; I283-L300 HydrophobicContact CD1-CD2 4.03Å; I283-L300 HydrophobicContact CG1-CD2 4.2Å; H298-L300 HydrophobicContact CB-CD2 4.05Å; L300-T322 HydrophobicContact CD2-CG2 4.02Å; L300-F355 HydrophobicContact CB-CD1 4.18Å; L300-F355 HydrophobicContact CD1-CD1 3.83Å; L300-F355 HydrophobicContact CD1-CE1 3.93Å; L300-F355 HydrophobicContact CG-CD1 4.33Å; L300-F355 PolarHBondContact N-O 3.03Å; L300-I357 HydrophobicContact CD1-CD1 3.94Å; L300-I357 HydrophobicContact CD1-CG1 4.13Å; L300-I357 HydrophobicContact CD1-CG2 4.36Å; L300-I357 HydrophobicContact CG-CG1 4.3Å
301V91.3Very high85.3Confident10 Ų1059.1 Ų59.16%0.06130%0.299CS..PPolyproline II helixtrans-78133172.8-174.80000109.2S281 Y303 S321 L326 I349S281-V301 WeakPolarHBondContact CB-O 3.41Å; S281-V301 PolarHBondContact OG-O 3.42Å; V301-Y303 HydrophobicContact CB-CE2 3.77Å; V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE1 3.97Å; V301-Y303 HydrophobicContact CG1-CE2 3.66Å; V301-Y303 VanDerWaalsContact CG1-CZ 3.47Å; V301-S321 PolarHBondContact N-O 3.08Å; V301-L326 HydrophobicContact CG2-CB 4.24Å; V301-L326 HydrophobicContact CG2-CD2 4.23Å; V301-I349 HydrophobicContact CG1-CD1 3.69Å; V301-I349 HydrophobicContact CG1-CG1 3.71Å
302V91.5Very high84.4Confident1 Ų162.6 Ų62.61%0.00632%0.324CS..PPolyproline II helixtrans-96.6118.8176.1-177.70000109.1F184 A279 S281 S350 D353 F355F184-V302 HydrophobicContact CE1-CG1 4.4Å; F184-V302 HydrophobicContact CE1-CG2 4.41Å; A279-V302 HydrophobicContact CB-CG1 3.76Å; S281-V302 WeakPolarHBondContact OG-CA 3.4Å; V302-S350 PolarHBondContact O-N 2.87Å; V302-D353 HydrophobicContact CB-CB 4.18Å; V302-D353 HydrophobicContact CG1-CB 4.2Å; V302-D353 HydrophobicContact CG2-CB 4.36Å; V302-F355 HydrophobicContact CG2-CB 3.89Å
303Y90.1Very high83.9Confident0 Ų064.4 Ų64.40%033%0.333CS..EExtended strand (participates in β ladder)trans-103.4121.3176.9-66.6-77.6000110.3A279 V280 F282 V301 L319 P320 A348 I349A279-Y303 CarbonylContact C-O 3.57Å; A279-Y303 WeakPolarHBondContact CA-O 3.41Å; A279-Y303 WeakPolarHBondContact CB-O 3.43Å; V280-Y303 PolarHBondContact N-O 3.29Å; V280-Y303 PolarHBondContact O-N 2.94Å; F282-Y303 HydrophobicContact CE1-CE2 4.05Å; V301-Y303 HydrophobicContact CB-CE2 3.77Å; V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE1 3.97Å; V301-Y303 HydrophobicContact CG1-CE2 3.66Å; V301-Y303 VanDerWaalsContact CG1-CZ 3.47Å; Y303-L319 HydrophobicContact CD1-CD1 3.8Å; Y303-L319 HydrophobicContact CE1-CB 4.1Å; Y303-L319 HydrophobicContact CE1-CD1 3.59Å; Y303-L319 HydrophobicContact CE1-CG 4.38Å; Y303-L319 HydrophobicContact CE2-CB 4.28Å; Y303-L319 HydrophobicContact CG-CD1 4.4Å; Y303-L319 WeakPolarHBondContact OH-CB 3.49Å; Y303-P320 WeakPolarHBondContact CE2-O 3.37Å; Y303-P320 WeakPolarHBondContact OH-CD 3.37Å; Y303-P320 PolarHBondContact OH-O 3.01Å; Y303-A348 CarbonylContact C-O 3.54Å; Y303-A348 WeakPolarHBondContact CA-O 3.22Å; Y303-I349 HydrophobicContact CD1-CB 4.35Å; Y303-I349 HydrophobicContact CE1-CB 4.14Å
304R88.2Confident83.4Confident96 Ų9664.5 Ų64.536%0.36233%0.333SS..EExtended strand (participates in β ladder)trans-71.9135.3174.2-162.2-175.5-152137.9-1.2110H186 C187 A348H186-R304 PolarHBondContact O-NH1 3.28Å; H186-R304 PolarHBondContact O-NH2 3.48Å; C187-R304 PolarHBondContact O-NE 3.29Å; C187-R304 PolarHBondContact O-NH2 3.46Å; R304-A348 PolarHBondContact N-O 2.82Å; R304-A348 PolarHBondContact O-N 3.11Å; R304-A348 VanDerWaalsContact O-N 3.08Å
305L85.6Confident83Confident35 Ų3560 Ų6018%0.18332%0.316CS..EExtended strand (participates in β ladder)trans-89.5133.7178.3-67.5168.1000110.8P277 F278 V280 I309 F347P277-L305 HydrophobicContact CB-CD1 3.65Å; P277-L305 WeakPolarHBondContact O-CD1 3.23Å; F278-L305 PolarHBondContact O-N 3.09Å; V280-L305 HydrophobicContact CB-CD2 4.44Å; V280-L305 HydrophobicContact CG1-CD2 4.17Å; L305-I309 HydrophobicContact CB-CD1 4.01Å; L305-I309 HydrophobicContact CD2-CD1 3.75Å; L305-F347 HydrophobicContact CD2-CD1 3.55Å; L305-F347 HydrophobicContact CD2-CE1 3.16Å; L305-F347 HydrophobicContact CD2-CZ 4.01Å
306A78.3Confident82.7Confident52 Ų5256.9 Ų56.943%0.4330%0.299SS..PPolyproline II helixtrans-67.6151.9164.900000111.6K308 I309 A346A306-K308 VanDerWaalsContact C-N 3.25Å; A306-K308 PolarHBondContact O-N 3.27Å; A306-K308 VanDerWaalsContact O-N 3.1Å; A306-I309 HydrophobicContact CB-CD1 3.88Å; A306-I309 HydrophobicContact CB-CG1 4.18Å; A306-I309 WeakPolarHBondContact O-CD1 3.25Å; A306-I309 WeakPolarHBondContact O-CG1 3.45Å; A306-A346 PolarHBondContact N-O 3.29Å; A306-A346 VanDerWaalsContact N-O 3.09Å
307A68.2Low82.2Confident83 Ų8359 Ų5969%0.68630%0.301SS*.THydrogen-bonded Turntrans-64.9-19-170.100000115.7R276R276-A307 PolarHBondContact NH1-O 2.95Å
308K70.4Confident81.5Confident198 Ų19855 Ų5586%0.86130%0.295SS*.THydrogen-bonded Turntrans-112.536.4-174.4-70.7-171.9177.5-178.40113.7A306A306-K308 VanDerWaalsContact C-N 3.25Å; A306-K308 PolarHBondContact O-N 3.27Å; A306-K308 VanDerWaalsContact O-N 3.1Å
309I69.9Low81.1Confident37 Ų3754.5 Ų54.519%0.1929%0.293CS..  trans-93.7138.5179.4-63.7168.6000110.3L305 A306 D313 A346 F347L305-I309 HydrophobicContact CB-CD1 4.01Å; L305-I309 HydrophobicContact CD2-CD1 3.75Å; A306-I309 HydrophobicContact CB-CD1 3.88Å; A306-I309 HydrophobicContact CB-CG1 4.18Å; A306-I309 WeakPolarHBondContact O-CD1 3.25Å; A306-I309 WeakPolarHBondContact O-CG1 3.45Å; I309-D313 HydrophobicContact CG2-CB 3.76Å; I309-A346 HydrophobicContact CD1-CB 3.63Å; I309-A346 WeakPolarHBondContact CD1-O 3.48Å; I309-A346 HydrophobicContact CG1-CB 3.88Å; I309-F347 HydrophobicContact CG2-CZ 4.29Å
310E69.7Low80.8Confident145 Ų14552.4 Ų52.468%0.67828%0.283SS*.  trans-78.4142.8168.3-65.8-173.4167.700110S312 D313E310-S312 PolarHBondContact O-N 3.45Å; E310-D313 WeakPolarHBondContact O-CB 3.33Å; E310-D313 PolarHBondContact O-N 3.29Å
311E67.9Low80.6Confident99 Ų9952.3 Ų52.346%0.46328%0.282SS..THydrogen-bonded Turntrans-60.9-14.9179.2-70.9-164.3179.500113.2R198 R263R198-E311 IonicContact CZ-OE2 3.4Å; R198-E311 IonicContact NH1-OE1 3.13Å; R198-E311 IonicContact NH1-OE2 3.3Å; R198-E311 PolarHBondContact NH1-OE2 3.21Å; R198-E311 IonicContact NH2-OE2 3.07Å; R198-E311 PolarHBondContact NH2-OE2 3.02Å; R263-E311 IonicContact CZ-OE1 2.99Å; R263-E311 IonicContact NH2-OE1 3.95Å; R263-E311 PolarHBondContact NH2-OE1 2.99Å
312S70.9Confident80.6Confident76 Ų7652.7 Ų52.753%0.53129%0.285SS..THydrogen-bonded Turntrans-91.96.5175.945.30000114.9E310 F314E310-S312 PolarHBondContact O-N 3.45Å; S312-F314 WeakPolarHBondContact O-CD2 3.16Å; S312-F314 WeakPolarHBondContact O-CE2 3.48Å; S312-F314 PolarHBondContact O-N 2.85Å
313D78.2Confident80.4Confident44 Ų4458.2 Ų58.224%0.23531%0.306CS..  trans-81.9110.5174.7-174.1-7.7000111.1I309 E310 S315 F347I309-D313 HydrophobicContact CG2-CB 3.76Å; E310-D313 WeakPolarHBondContact O-CB 3.33Å; E310-D313 PolarHBondContact O-N 3.29Å; D313-S315 WeakPolarHBondContact OD1-CB 3.48Å; D313-S315 PolarHBondContact OD1-N 2.81Å; D313-S315 PolarHBondContact OD1-OG 3.15Å; D313-S315 PolarHBondContact OD2-OG 2.83Å; D313-F347 HydrophobicContact CB-CE2 4.48Å; D313-F347 HydrophobicContact CB-CZ 4.34Å; D313-F347 WeakPolarHBondContact O-CZ 3.48Å
314F80.4Confident80.1Confident12 Ų1261 Ų615%0.05333%0.329CS..  trans-106.319178.1-55.9-72.7000113.2V202 N207 V209 S312 Y316 H317V202-F314 HydrophobicContact CB-CE1 4.43Å; V202-F314 HydrophobicContact CG1-CD1 3.85Å; V202-F314 HydrophobicContact CG1-CE1 3.77Å; V202-F314 HydrophobicContact CG1-CE2 4.47Å; V202-F314 HydrophobicContact CG1-CG 4.24Å; V202-F314 HydrophobicContact CG1-CZ 4.09Å; V202-F314 HydrophobicContact CG2-CD1 4.3Å; V202-F314 HydrophobicContact CG2-CE1 3.73Å; V202-F314 HydrophobicContact CG2-CZ 4.37Å; N207-F314 HydrophobicContact CB-CD2 4.01Å; N207-F314 WeakPolarHBondContact O-CD2 3.34Å; N207-F314 WeakPolarHBondContact O-CE2 3.39Å; V209-F314 HydrophobicContact CG2-CZ 4.24Å; S312-F314 WeakPolarHBondContact O-CD2 3.16Å; S312-F314 WeakPolarHBondContact O-CE2 3.48Å; S312-F314 PolarHBondContact O-N 2.85Å; F314-Y316 HydrophobicContact CB-CE1 4.35Å; F314-Y316 AromaticContact CD1-CE1 3.92Å; F314-Y316 HydrophobicContact CD1-CE1 3.92Å; F314-Y316 AromaticContact CD1-CZ 3.97Å; F314-Y316 WeakPolarHBondContact CD1-OH 3.28Å; F314-Y316 PolarHBondContact O-N 2.79Å; F314-H317 PolarHBondContact O-N 2.86Å; F314-H317 VanDerWaalsContact O-N 3.08Å; F314-H317 PolarHBondContact O-ND1 2.93Å
315S80.5Confident79.9Confident19 Ų1959.3 Ų59.313%0.13333%0.327CS..G310 helixtrans-63.7-10.6-177.158.60000114.8D313 H317 T318 T344 F347D313-S315 WeakPolarHBondContact OD1-CB 3.48Å; D313-S315 PolarHBondContact OD1-N 2.81Å; D313-S315 PolarHBondContact OD1-OG 3.15Å; D313-S315 PolarHBondContact OD2-OG 2.83Å; S315-H317 PolarHBondContact O-N 2.91Å; S315-T318 PolarHBondContact O-OG1 3.44Å; S315-T344 PolarHBondContact OG-OG1 3.03Å; S315-F347 VanDerWaalsContact OG-CE2 3.23Å; S315-F347 WeakPolarHBondContact OG-CE2 3.34Å
316Y85.3Confident79.8Confident0 Ų058.4 Ų58.40%032%0.322CS..G310 helixtrans-69.5-14.4171.664.4-98.3000114.2H257 Q259 V280 F282 F314 T318 L319 F347H257-Y316 AromaticContact NE2-CE2 3.76Å; H257-Y316 AromaticContact NE2-CZ 3.78Å; H257-Y316 PolarHBondContact NE2-OH 2.82Å; Q259-Y316 VanDerWaalsContact CG-OH 3.24Å; Q259-Y316 WeakPolarHBondContact CG-OH 3.23Å; Q259-Y316 PolarHBondContact NE2-OH 3.18Å; V280-Y316 HydrophobicContact CG1-CD1 4.42Å; V280-Y316 HydrophobicContact CG2-CE1 4.45Å; F282-Y316 HydrophobicContact CB-CD2 4.43Å; F282-Y316 HydrophobicContact CB-CE2 3.82Å; F282-Y316 AromaticContact CD1-CD2 3.47Å; F282-Y316 HydrophobicContact CD1-CD2 3.47Å; F282-Y316 VanDerWaalsContact CD1-CD2 3.47Å; F282-Y316 AromaticContact CD1-CE2 3.74Å; F282-Y316 HydrophobicContact CD1-CE2 3.74Å; F282-Y316 HydrophobicContact CD2-CD2 4.33Å; F282-Y316 HydrophobicContact CD2-CE2 4.1Å; F282-Y316 AromaticContact CE1-CD2 3.64Å; F282-Y316 HydrophobicContact CE1-CD2 3.64Å; F282-Y316 HydrophobicContact CE1-CE2 4.29Å; F282-Y316 HydrophobicContact CE2-CD2 4.45Å; F282-Y316 AromaticContact CG-CD2 3.84Å; F282-Y316 HydrophobicContact CG-CD2 3.84Å; F282-Y316 AromaticContact CG-CE2 3.62Å; F282-Y316 HydrophobicContact CG-CE2 3.62Å; F282-Y316 HydrophobicContact CZ-CD2 4.11Å; F282-Y316 WeakPolarHBondContact CZ-O 3.27Å; F314-Y316 HydrophobicContact CB-CE1 4.35Å; F314-Y316 AromaticContact CD1-CE1 3.92Å; F314-Y316 HydrophobicContact CD1-CE1 3.92Å; F314-Y316 AromaticContact CD1-CZ 3.97Å; F314-Y316 WeakPolarHBondContact CD1-OH 3.28Å; F314-Y316 PolarHBondContact O-N 2.79Å; Y316-T318 PolarHBondContact O-N 3.22Å; Y316-L319 VanDerWaalsContact O-CB 3.24Å; Y316-L319 WeakPolarHBondContact O-CB 3.44Å; Y316-L319 WeakPolarHBondContact O-CG 3.37Å; Y316-L319 PolarHBondContact O-N 2.92Å; Y316-F347 HydrophobicContact CD1-CD1 4.02Å; Y316-F347 AromaticContact CD1-CE1 3.45Å; Y316-F347 HydrophobicContact CD1-CE1 3.45Å; Y316-F347 VanDerWaalsContact CD1-CE1 3.45Å; Y316-F347 HydrophobicContact CD1-CE2 4.08Å; Y316-F347 AromaticContact CD1-CZ 3.54Å; Y316-F347 HydrophobicContact CD1-CZ 3.54Å; Y316-F347 HydrophobicContact CE1-CE1 4.29Å; Y316-F347 HydrophobicContact CE1-CZ 4.37Å; Y316-F347 HydrophobicContact CG-CD1 4.29Å; Y316-F347 HydrophobicContact CG-CE1 4.17Å; Y316-F347 HydrophobicContact CG-CZ 4.44Å
317H79.3Confident79.8Confident74 Ų7461.3 Ų61.334%0.34333%0.327SS..G310 helixtrans-60.9-16.7-177.374.7-85.7000113.8R284 F314 S315 L319R284-H317 PolarHBondContact NH2-O 3.42Å; F314-H317 PolarHBondContact O-N 2.86Å; F314-H317 VanDerWaalsContact O-N 3.08Å; F314-H317 PolarHBondContact O-ND1 2.93Å; S315-H317 PolarHBondContact O-N 2.91Å; H317-L319 VanDerWaalsContact C-N 3.3Å
318T80.8Confident80.1Confident82 Ų8265.3 Ų65.350%0.50333%0.333SS..G310 helixtrans-81.5-9.3174.555.40000113.1S315 Y316S315-T318 PolarHBondContact O-OG1 3.44Å; Y316-T318 PolarHBondContact O-N 3.22Å
319L86.8Confident80.1Confident12 Ų1258.6 Ų58.66%0.06331%0.312CS..SBendtrans-89.2162.7-176.5-55.7175.4000111.8F282 R284 Y303 Y316 H317 I340 F347F282-L319 VanDerWaalsContact CZ-O 3.29Å; F282-L319 WeakPolarHBondContact CZ-O 3.13Å; R284-L319 PolarHBondContact NH2-O 3.21Å; Y303-L319 HydrophobicContact CD1-CD1 3.8Å; Y303-L319 HydrophobicContact CE1-CB 4.1Å; Y303-L319 HydrophobicContact CE1-CD1 3.59Å; Y303-L319 HydrophobicContact CE1-CG 4.38Å; Y303-L319 HydrophobicContact CE2-CB 4.28Å; Y303-L319 HydrophobicContact CG-CD1 4.4Å; Y303-L319 WeakPolarHBondContact OH-CB 3.49Å; Y316-L319 VanDerWaalsContact O-CB 3.24Å; Y316-L319 WeakPolarHBondContact O-CB 3.44Å; Y316-L319 WeakPolarHBondContact O-CG 3.37Å; Y316-L319 PolarHBondContact O-N 2.92Å; H317-L319 VanDerWaalsContact C-N 3.3Å; L319-I340 HydrophobicContact CD2-CG2 4.21Å; L319-F347 HydrophobicContact CD1-CB 4.02Å
320P88.9Confident79.9Confident18 Ų1859.5 Ų59.512%0.11733%0.33CS..  trans-62.7136.3172.6-25.536000112.8Y303 D325 L326Y303-P320 WeakPolarHBondContact CE2-O 3.37Å; Y303-P320 WeakPolarHBondContact OH-CD 3.37Å; Y303-P320 PolarHBondContact OH-O 3.01Å; P320-D325 HydrophobicContact CB-CB 4Å; P320-L326 HydrophobicContact CB-CB 4.04Å; P320-L326 HydrophobicContact CB-CD1 4.28Å; P320-L326 HydrophobicContact CG-CB 4.47Å; P320-L326 HydrophobicContact CG-CD1 3.94Å
321S90.6Very high79.6Confident5 Ų555.9 Ų55.94%0.03532%0.315CS..SBendtrans-85.3-44.117934.50000112.6F282 R284 V301 D325F282-S321 VanDerWaalsContact O-CB 3.22Å; F282-S321 WeakPolarHBondContact O-CB 3.05Å; R284-S321 PolarHBondContact NH1-OG 2.73Å; V301-S321 PolarHBondContact N-O 3.08Å; S321-D325 PolarHBondContact OG-OD2 3.32Å
322T90.9Very high79.1Confident19 Ų1953.7 Ų53.712%0.11731%0.311CS..BIsolated β-bridgetrans-109.1159.5-176.373.30000111.5D299 L300 A324 D325 L326D299-T322 WeakPolarHBondContact O-CA 3.46Å; L300-T322 HydrophobicContact CD2-CG2 4.02Å; T322-A324 PolarHBondContact O-N 3.09Å; T322-D325 WeakPolarHBondContact CB-OD2 3.46Å; T322-D325 PolarHBondContact N-OD2 2.88Å; T322-D325 WeakPolarHBondContact O-CB 3.26Å; T322-D325 PolarHBondContact O-N 2.86Å; T322-D325 PolarHBondContact OG1-N 3.42Å; T322-D325 VanDerWaalsContact OG1-N 3.14Å; T322-D325 PolarHBondContact OG1-OD1 2.95Å; T322-D325 PolarHBondContact OG1-OD2 2.89Å; T322-L326 PolarHBondContact O-N 3.06Å
323R87.4Confident78.3Confident116 Ų11656.9 Ų56.944%0.43832%0.322SS..Hα-helixtrans-63.5-32.6176.4-161163.7-175133.41.3112.1D299 L326 E327D299-R323 HydrophobicContact CB-CB 4.38Å; D299-R323 PolarHBondContact O-N 3.14Å; R323-L326 WeakPolarHBondContact O-CB 3.37Å; R323-L326 PolarHBondContact O-N 3.13Å; R323-E327 WeakPolarHBondContact O-CG 3.18Å; R323-E327 PolarHBondContact O-N 3.33Å
324A84.3Confident77Confident59 Ų5958.1 Ų58.149%0.48833%0.331SS..Hα-helixtrans-64.8-42.9172.800000112T322 L326 E327 M328T322-A324 PolarHBondContact O-N 3.09Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.42Å; A324-E327 PolarHBondContact O-N 3.1Å; A324-M328 WeakPolarHBondContact O-CB 3.42Å; A324-M328 PolarHBondContact O-N 3.1Å
325D83.8Confident75.4Confident61 Ų6163.5 Ų63.533%0.32637%0.37SS..Hα-helixtrans-62.4-40175.5-56.5-33.6000111.1P320 S321 T322 M328 S329P320-D325 HydrophobicContact CB-CB 4Å; S321-D325 PolarHBondContact OG-OD2 3.32Å; T322-D325 WeakPolarHBondContact CB-OD2 3.46Å; T322-D325 PolarHBondContact N-OD2 2.88Å; T322-D325 WeakPolarHBondContact O-CB 3.26Å; T322-D325 PolarHBondContact O-N 2.86Å; T322-D325 PolarHBondContact OG1-N 3.42Å; T322-D325 VanDerWaalsContact OG1-N 3.14Å; T322-D325 PolarHBondContact OG1-OD1 2.95Å; T322-D325 PolarHBondContact OG1-OD2 2.89Å; D325-M328 PolarHBondContact O-N 3.2Å; D325-S329 WeakPolarHBondContact O-CB 3.49Å; D325-S329 PolarHBondContact O-N 3.18Å; D325-S329 PolarHBondContact O-OG 3.14Å
326L83Confident73.8Confident15 Ų1566.2 Ų66.28%0.07939%0.389CS..Hα-helixtrans-64.8-42.7177.8-177.771.1000111.9V301 P320 T322 R323 A324 S329 L331 I340 I349V301-L326 HydrophobicContact CG2-CB 4.24Å; V301-L326 HydrophobicContact CG2-CD2 4.23Å; P320-L326 HydrophobicContact CB-CB 4.04Å; P320-L326 HydrophobicContact CB-CD1 4.28Å; P320-L326 HydrophobicContact CG-CB 4.47Å; P320-L326 HydrophobicContact CG-CD1 3.94Å; T322-L326 PolarHBondContact O-N 3.06Å; R323-L326 WeakPolarHBondContact O-CB 3.37Å; R323-L326 PolarHBondContact O-N 3.13Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.42Å; L326-S329 PolarHBondContact O-N 3.38Å; L326-S329 PolarHBondContact O-OG 2.7Å; L326-L331 HydrophobicContact CD1-CB 4.08Å; L326-L331 PolarHBondContact O-N 3.41Å; L326-I340 HydrophobicContact CD1-CD1 3.76Å; L326-I349 HydrophobicContact CD1-CD1 4.02Å; L326-I349 HydrophobicContact CD2-CD1 3.4Å; L326-I349 HydrophobicContact CG-CD1 4.37Å
327E79.6Confident72Confident113 Ų11378.3 Ų78.353%0.52844%0.435SS..Hα-helixtrans-64.5-43.1174.7-74170.4-170.900111.6R323 A324 S329 G330R323-E327 WeakPolarHBondContact O-CG 3.18Å; R323-E327 PolarHBondContact O-N 3.33Å; A324-E327 PolarHBondContact O-N 3.1Å; E327-S329 VanDerWaalsContact C-N 3.32Å; E327-S329 PolarHBondContact O-N 3.02Å; E327-G330 PolarHBondContact O-N 3.36Å; E327-G330 VanDerWaalsContact O-N 3.07Å
328M74.4Confident70.6Confident167 Ų16778 Ų7882%0.82344%0.441SS*.Hα-helixtrans-67.4-31.9178.9-160.1-176.2-60.700112.7A324 D325 G330A324-M328 WeakPolarHBondContact O-CB 3.42Å; A324-M328 PolarHBondContact O-N 3.1Å; D325-M328 PolarHBondContact O-N 3.2Å; M328-G330 PolarHBondContact O-N 3.3Å; M328-G330 VanDerWaalsContact O-N 3.15Å
329S70.5Confident69.4Low58 Ų5881.5 Ų81.541%0.40645%0.451SS..THydrogen-bonded Turntrans-68-5.7173.172.30000113.9D325 L326 E327 L331D325-S329 WeakPolarHBondContact O-CB 3.49Å; D325-S329 PolarHBondContact O-N 3.18Å; D325-S329 PolarHBondContact O-OG 3.14Å; L326-S329 PolarHBondContact O-N 3.38Å; L326-S329 PolarHBondContact O-OG 2.7Å; E327-S329 VanDerWaalsContact C-N 3.32Å; E327-S329 PolarHBondContact O-N 3.02Å; S329-L331 PolarHBondContact O-N 3.44Å; S329-L331 WeakPolarHBondContact OG-CB 3.28Å; S329-L331 WeakPolarHBondContact OG-CD1 3.39Å; S329-L331 WeakPolarHBondContact OG-CG 3.22Å
330G65.7Low68.2Low56 Ų5681.9 Ų81.958%0.57745%0.453SS*.THydrogen-bonded Turntrans73.24.3-177.900000114E327 M328E327-G330 PolarHBondContact O-N 3.36Å; E327-G330 VanDerWaalsContact O-N 3.07Å; M328-G330 PolarHBondContact O-N 3.3Å; M328-G330 VanDerWaalsContact O-N 3.15Å
331L63.2Low67.2Low68 Ų6885.3 Ų85.336%0.35647%0.467SS..  trans-87.8-6.4-174.3-63.3172.2000113.6L326 S329 N333 V334 I340L326-L331 HydrophobicContact CD1-CB 4.08Å; L326-L331 PolarHBondContact O-N 3.41Å; S329-L331 PolarHBondContact O-N 3.44Å; S329-L331 WeakPolarHBondContact OG-CB 3.28Å; S329-L331 WeakPolarHBondContact OG-CD1 3.39Å; S329-L331 WeakPolarHBondContact OG-CG 3.22Å; L331-N333 PolarHBondContact O-N 2.86Å; L331-V334 PolarHBondContact O-N 3.06Å; L331-I340 HydrophobicContact CB-CD1 3.55Å; L331-I340 HydrophobicContact CB-CG1 4.25Å; L331-I340 HydrophobicContact CD1-CD1 4.19Å; L331-I340 HydrophobicContact CD1-CG1 4.25Å; L331-I340 HydrophobicContact CD2-CG1 4.5Å; L331-I340 HydrophobicContact CG-CD1 4.35Å
332S57.2Low66.2Low54 Ų5485.3 Ų85.338%0.37847%0.467SS..THydrogen-bonded Turntrans-63.9-35.1-174.257.20000114.5V334S332-V334 VanDerWaalsContact C-N 3.33Å; S332-V334 PolarHBondContact O-N 3.24Å
333N52.7Low65Low142 Ų14289.7 Ų89.776%0.75950%0.496SS*.THydrogen-bonded Turntrans-86.31.8-174.7-79.2-17.4000114.4L331 S335L331-N333 PolarHBondContact O-N 2.86Å; N333-S335 PolarHBondContact O-N 2.98Å; N333-S335 PolarHBondContact O-OG 2.8Å
334V50.9Low64Low71 Ų7188.2 Ų88.243%0.4350%0.5SS..  trans-76.783.8173.4-170.90000108.2L331 S332 S336L331-V334 PolarHBondContact O-N 3.06Å; S332-V334 VanDerWaalsContact C-N 3.33Å; S332-V334 PolarHBondContact O-N 3.24Å; V334-S336 PolarHBondContact O-N 3.26Å
335S48Very low63.4Low124 Ų12486.9 Ų86.987%0.86749%0.492SS*.  trans-64.811176.529.80000113.8N333N333-S335 PolarHBondContact O-N 2.98Å; N333-S335 PolarHBondContact O-OG 2.8Å
336S46.5Very low63.1Low76 Ų7684.5 Ų84.553%0.53148%0.481SS..SBendtrans-121.2128.2-174.1-66.60000110.7V334 S338V334-S336 PolarHBondContact O-N 3.26Å; S336-S338 PolarHBondContact O-N 2.77Å
337R47.1Very low63.1Low255 Ų25584 Ų8496%0.96248%0.478SS*.THydrogen-bonded Turntrans-54.49.3-173.9-74.3174.6161.4173.1-5.6117.4
338S50.5Low63.3Low67 Ų6780 Ų8047%0.46947%0.465SS..THydrogen-bonded Turntrans-117.6-6.9-157.262.80000118.9S336S336-S338 PolarHBondContact O-N 2.77Å
339H54.8Low63.7Low155 Ų15574.2 Ų74.272%0.71844%0.437SS*.SBendtrans-128.1-7.7-169.6-74.6-53.2000119.4
340I62.7Low64.4Low20 Ų2072 Ų7210%0.10342%0.421CS..  trans-106.283.9173.3-45.5174.5000108.3L319 L326 L331 I349L319-I340 HydrophobicContact CD2-CG2 4.21Å; L326-I340 HydrophobicContact CD1-CD1 3.76Å; L331-I340 HydrophobicContact CB-CD1 3.55Å; L331-I340 HydrophobicContact CB-CG1 4.25Å; L331-I340 HydrophobicContact CD1-CD1 4.19Å; L331-I340 HydrophobicContact CD1-CG1 4.25Å; L331-I340 HydrophobicContact CD2-CG1 4.5Å; L331-I340 HydrophobicContact CG-CD1 4.35Å; I340-I349 HydrophobicContact CB-CG2 4.15Å; I340-I349 HydrophobicContact CD1-CD1 4.37Å; I340-I349 HydrophobicContact CD1-CG2 4.45Å
341Q66.7Low64.8Low91 Ų9173.3 Ų73.343%0.42542%0.419SS..BIsolated β-bridgetrans-123.9153.9172.1-71178.6500109.8F347 A348Q341-F347 WeakPolarHBondContact CA-O 3.25Å; Q341-A348 HydrophobicContact CG-CB 4.18Å
342S69.6Low65.7Low4 Ų477 Ų773%0.02843%0.432CS..  trans-55.8158.416560.20000110.2T344 G345 A346 F347S342-T344 PolarHBondContact O-N 2.88Å; S342-T344 PolarHBondContact OG-OG1 2.76Å; S342-G345 PolarHBondContact O-N 2.9Å; S342-G345 PolarHBondContact OG-N 2.84Å; S342-A346 PolarHBondContact OG-N 2.78Å; S342-A346 VanDerWaalsContact OG-N 3.11Å; S342-F347 PolarHBondContact N-O 3.09Å; S342-F347 VanDerWaalsContact N-O 3.15Å; S342-F347 WeakPolarHBondContact OG-CD2 3.31Å; S342-F347 PolarHBondContact OG-N 3.49Å
343P65.4Low67.2Low112 Ų11274.5 Ų74.573%0.72742%0.415SS*.THydrogen-bonded Turntrans-53.3-28174.9-26.534.2000113.8
344T68.2Low69Low85 Ų8569.8 Ų69.852%0.52139%0.393SS..THydrogen-bonded Turntrans-80.2-12.1177.153.10000114S315 S342 A346S315-T344 PolarHBondContact OG-OG1 3.03Å; S342-T344 PolarHBondContact O-N 2.88Å; S342-T344 PolarHBondContact OG-OG1 2.76Å; T344-A346 PolarHBondContact O-N 3.12Å; T344-A346 VanDerWaalsContact OG1-CB 3.25Å; T344-A346 WeakPolarHBondContact OG1-CB 3.3Å; T344-A346 PolarHBondContact OG1-N 3.43Å
345G70.5Confident71.1Confident31 Ų3166.5 Ų66.532%0.3237%0.372SS..SBendtrans70.71.7-169.400000114.2S342S342-G345 PolarHBondContact O-N 2.9Å; S342-G345 PolarHBondContact OG-N 2.84Å
346A77.5Confident73.4Confident11 Ų1160.8 Ų60.89%0.09133%0.333CS..  trans-70.3-34.8-173.800000112.9A306 I309 S342 T344A306-A346 PolarHBondContact N-O 3.29Å; A306-A346 VanDerWaalsContact N-O 3.09Å; I309-A346 HydrophobicContact CD1-CB 3.63Å; I309-A346 WeakPolarHBondContact CD1-O 3.48Å; I309-A346 HydrophobicContact CG1-CB 3.88Å; S342-A346 PolarHBondContact OG-N 2.78Å; S342-A346 VanDerWaalsContact OG-N 3.11Å; T344-A346 PolarHBondContact O-N 3.12Å; T344-A346 VanDerWaalsContact OG1-CB 3.25Å; T344-A346 WeakPolarHBondContact OG1-CB 3.3Å; T344-A346 PolarHBondContact OG1-N 3.43Å
347F83.9Confident75.8Confident3 Ų357.2 Ų57.21%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-113.4122.3-174.6-58.3-91.7000109.7V280 L305 I309 D313 S315 Y316 L319 Q341 S342V280-F347 HydrophobicContact CG1-CD1 3.56Å; V280-F347 HydrophobicContact CG1-CE1 3.66Å; L305-F347 HydrophobicContact CD2-CD1 3.55Å; L305-F347 HydrophobicContact CD2-CE1 3.16Å; L305-F347 HydrophobicContact CD2-CZ 4.01Å; I309-F347 HydrophobicContact CG2-CZ 4.29Å; D313-F347 HydrophobicContact CB-CE2 4.48Å; D313-F347 HydrophobicContact CB-CZ 4.34Å; D313-F347 WeakPolarHBondContact O-CZ 3.48Å; S315-F347 VanDerWaalsContact OG-CE2 3.23Å; S315-F347 WeakPolarHBondContact OG-CE2 3.34Å; Y316-F347 HydrophobicContact CD1-CD1 4.02Å; Y316-F347 AromaticContact CD1-CE1 3.45Å; Y316-F347 HydrophobicContact CD1-CE1 3.45Å; Y316-F347 VanDerWaalsContact CD1-CE1 3.45Å; Y316-F347 HydrophobicContact CD1-CE2 4.08Å; Y316-F347 AromaticContact CD1-CZ 3.54Å; Y316-F347 HydrophobicContact CD1-CZ 3.54Å; Y316-F347 HydrophobicContact CE1-CE1 4.29Å; Y316-F347 HydrophobicContact CE1-CZ 4.37Å; Y316-F347 HydrophobicContact CG-CD1 4.29Å; Y316-F347 HydrophobicContact CG-CE1 4.17Å; Y316-F347 HydrophobicContact CG-CZ 4.44Å; L319-F347 HydrophobicContact CD1-CB 4.02Å; Q341-F347 WeakPolarHBondContact CA-O 3.25Å; S342-F347 PolarHBondContact N-O 3.09Å; S342-F347 VanDerWaalsContact N-O 3.15Å; S342-F347 WeakPolarHBondContact OG-CD2 3.31Å; S342-F347 PolarHBondContact OG-N 3.49Å
348A83.8Confident78.1Confident31 Ų3148 Ų4826%0.25628%0.277SS..EExtended strand (participates in β ladder)trans-123.6135.2178.900000111Y303 R304 Q341 S350Y303-A348 CarbonylContact C-O 3.54Å; Y303-A348 WeakPolarHBondContact CA-O 3.22Å; R304-A348 PolarHBondContact N-O 2.82Å; R304-A348 PolarHBondContact O-N 3.11Å; R304-A348 VanDerWaalsContact O-N 3.08Å; Q341-A348 HydrophobicContact CG-CB 4.18Å; A348-S350 PolarHBondContact O-N 3.48Å
349I83.3Confident80.2Confident45 Ų4544.9 Ų44.923%0.23126%0.256CS..EExtended strand (participates in β ladder)trans-60.3135.7-180-170.2166.4000112.4V301 Y303 L326 I340 P351V301-I349 HydrophobicContact CG1-CD1 3.69Å; V301-I349 HydrophobicContact CG1-CG1 3.71Å; Y303-I349 HydrophobicContact CD1-CB 4.35Å; Y303-I349 HydrophobicContact CE1-CB 4.14Å; L326-I349 HydrophobicContact CD1-CD1 4.02Å; L326-I349 HydrophobicContact CD2-CD1 3.4Å; L326-I349 HydrophobicContact CG-CD1 4.37Å; I340-I349 HydrophobicContact CB-CG2 4.15Å; I340-I349 HydrophobicContact CD1-CD1 4.37Å; I340-I349 HydrophobicContact CD1-CG2 4.45Å; I349-P351 WeakPolarHBondContact O-CD 3.39Å
350S84.5Confident82Confident10 Ų1040.2 Ų40.27%0.0724%0.238CC..  trans-105.495.7167-163.70000109.9V302 A348 K352 D353V302-S350 PolarHBondContact O-N 2.87Å; A348-S350 PolarHBondContact O-N 3.48Å; S350-K352 VanDerWaalsContact C-N 3.26Å; S350-K352 PolarHBondContact O-N 2.89Å; S350-D353 WeakPolarHBondContact CB-OD2 3.31Å; S350-D353 PolarHBondContact O-N 2.93Å; S350-D353 PolarHBondContact OG-OD2 2.8Å
351P74.6Confident83.3Confident85 Ų8539.8 Ų39.855%0.55224%0.236SC*.THydrogen-bonded Turntrans-70.7-21.1-168.526.9-35.3000114.2I349I349-P351 WeakPolarHBondContact O-CD 3.39Å
352K82.2Confident84.2Confident144 Ų14435.5 Ų35.563%0.62622%0.216SC*.THydrogen-bonded Turntrans-94.8-21.6-177.9-62.6-169.6177.1-172.20113.5H186 S350H186-K352 HydrophobicContact CB-CB 4.31Å; H186-K352 WeakPolarHBondContact CD2-CB 3.38Å; S350-K352 VanDerWaalsContact C-N 3.26Å; S350-K352 PolarHBondContact O-N 2.89Å
353D88.2Confident85Confident3 Ų335.6 Ų35.62%0.01622%0.217CC..  trans-82.4149.9174.9-61.5-47.3000108.9D183 F184 T185 H186 C187 V302 S350D183-D353 CarbonylContact O-C 3.5Å; D183-D353 WeakPolarHBondContact O-CA 3.14Å; D183-D353 VanDerWaalsContact O-CB 3.28Å; D183-D353 WeakPolarHBondContact O-CB 3.28Å; F184-D353 WeakPolarHBondContact CA-OD1 3.43Å; T185-D353 PolarHBondContact N-OD1 2.88Å; H186-D353 WeakPolarHBondContact CA-OD1 3.47Å; H186-D353 WeakPolarHBondContact CB-OD1 3.44Å; H186-D353 PolarHBondContact N-OD1 3.3Å; C187-D353 WeakPolarHBondContact CA-OD2 3.38Å; C187-D353 WeakPolarHBondContact CB-OD2 3.27Å; C187-D353 PolarHBondContact N-OD1 3.15Å; C187-D353 PolarHBondContact N-OD2 3.17Å; C187-D353 PolarHBondContact SG-OD2 2.88Å; V302-D353 HydrophobicContact CB-CB 4.18Å; V302-D353 HydrophobicContact CG1-CB 4.2Å; V302-D353 HydrophobicContact CG2-CB 4.36Å; S350-D353 WeakPolarHBondContact CB-OD2 3.31Å; S350-D353 PolarHBondContact O-N 2.93Å; S350-D353 PolarHBondContact OG-OD2 2.8Å
354C90.4Very high85.8Confident43 Ų4331.1 Ų31.129%0.29119%0.187SC..EExtended strand (participates in β ladder)trans-138.7153.317872.10000111.7G182 D183G182-C354 CarbonylContact C-O 3.44Å; G182-C354 VanDerWaalsContact CA-O 3.23Å; G182-C354 WeakPolarHBondContact CA-O 3.49Å; D183-C354 VanDerWaalsContact CB-SG 3.59Å; D183-C354 PolarHBondContact N-O 3.29Å; D183-C354 PolarHBondContact O-N 3.16Å
355F95.5Very high86.5Confident1 Ų129.9 Ų29.90%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-144.8126.3173.9176.8-118.7000108.5L179 F184 V197 W240 F260 F262 L300 V302 I357L179-F355 HydrophobicContact CD2-CE2 4.28Å; L179-F355 HydrophobicContact CD2-CZ 3.73Å; F184-F355 HydrophobicContact CZ-CB 4.36Å; F184-F355 HydrophobicContact CZ-CD2 4.2Å; V197-F355 HydrophobicContact CG1-CZ 4.23Å; V197-F355 HydrophobicContact CG2-CE2 4.41Å; W240-F355 HydrophobicContact CE3-CE2 4.41Å; W240-F355 HydrophobicContact CH2-CD2 4.42Å; W240-F355 HydrophobicContact CH2-CE2 4.19Å; W240-F355 AromaticContact CZ3-CD2 3.97Å; W240-F355 HydrophobicContact CZ3-CD2 3.97Å; W240-F355 AromaticContact CZ3-CE2 3.67Å; W240-F355 HydrophobicContact CZ3-CE2 3.67Å; F260-F355 HydrophobicContact CB-CE1 3.83Å; F260-F355 HydrophobicContact CB-CZ 4.35Å; F260-F355 AromaticContact CD1-CE1 3.69Å; F260-F355 HydrophobicContact CD1-CE1 3.69Å; F260-F355 AromaticContact CD1-CZ 3.8Å; F260-F355 HydrophobicContact CD1-CZ 3.8Å; F260-F355 AromaticContact CD2-CE1 3.94Å; F260-F355 HydrophobicContact CD2-CE1 3.94Å; F260-F355 HydrophobicContact CE1-CE1 4.21Å; F260-F355 HydrophobicContact CE1-CZ 4.31Å; F260-F355 HydrophobicContact CE2-CE1 4.43Å; F260-F355 AromaticContact CG-CE1 3.54Å; F260-F355 HydrophobicContact CG-CE1 3.54Å; F260-F355 HydrophobicContact CG-CZ 4.09Å; F262-F355 HydrophobicContact CE1-CD1 4.24Å; F262-F355 AromaticContact CE1-CD2 3.81Å; F262-F355 HydrophobicContact CE1-CD2 3.81Å; F262-F355 HydrophobicContact CE1-CE1 4.34Å; F262-F355 AromaticContact CE1-CE2 3.92Å; F262-F355 HydrophobicContact CE1-CE2 3.92Å; F262-F355 AromaticContact CE1-CG 3.96Å; F262-F355 HydrophobicContact CE1-CG 3.96Å; F262-F355 HydrophobicContact CE1-CZ 4.17Å; F262-F355 HydrophobicContact CZ-CB 4.01Å; F262-F355 AromaticContact CZ-CD1 3.61Å; F262-F355 HydrophobicContact CZ-CD1 3.61Å; F262-F355 AromaticContact CZ-CD2 3.94Å; F262-F355 HydrophobicContact CZ-CD2 3.94Å; F262-F355 AromaticContact CZ-CE1 3.96Å; F262-F355 HydrophobicContact CZ-CE1 3.96Å; F262-F355 HydrophobicContact CZ-CE2 4.27Å; F262-F355 AromaticContact CZ-CG 3.58Å; F262-F355 HydrophobicContact CZ-CG 3.58Å; F262-F355 HydrophobicContact CZ-CZ 4.26Å; L300-F355 HydrophobicContact CB-CD1 4.18Å; L300-F355 HydrophobicContact CD1-CD1 3.83Å; L300-F355 HydrophobicContact CD1-CE1 3.93Å; L300-F355 HydrophobicContact CG-CD1 4.33Å; L300-F355 PolarHBondContact N-O 3.03Å; V302-F355 HydrophobicContact CG2-CB 3.89Å; F355-I357 HydrophobicContact CD1-CG2 4.26Å; F355-I357 HydrophobicContact CE1-CG2 3.49Å; F355-I357 VanDerWaalsContact CE1-CG2 3.49Å; F355-I357 HydrophobicContact CE2-CG2 4.34Å; F355-I357 HydrophobicContact CZ-CG2 3.55Å
356T96.2Very high87.3Confident5 Ų530.7 Ų30.73%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-121132.7-175.1-61.70000109.4A180 C181 R297 H298 D299A180-T356 HydrophobicContact CB-CG2 4.22Å; A180-T356 WeakPolarHBondContact CB-O 3.09Å; A180-T356 PolarHBondContact N-O 2.84Å; C181-T356 PolarHBondContact N-O 2.7Å; C181-T356 PolarHBondContact O-N 3.49Å; R297-T356 HydrophobicContact CG-CG2 3.58Å; H298-T356 WeakPolarHBondContact O-CA 3.31Å; D299-T356 VanDerWaalsContact OD1-CG2 3.31Å; D299-T356 WeakPolarHBondContact OD1-CG2 3.42Å; D299-T356 PolarHBondContact OD1-OG1 3.22Å
357I96.7Very high87.7Confident0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-122.3160.5172.465168.4000110.2V177 S178 L179 F260 I283 H298 L300 F355 T359V177-I357 HydrophobicContact CG1-CB 4.44Å; V177-I357 HydrophobicContact CG1-CD1 4.18Å; S178-I357 CarbonylContact O-C 3.53Å; S178-I357 WeakPolarHBondContact O-CA 3.43Å; L179-I357 HydrophobicContact CD2-CG2 4.28Å; F260-I357 HydrophobicContact CE1-CG2 4.26Å; F260-I357 HydrophobicContact CE2-CD1 4.14Å; F260-I357 HydrophobicContact CZ-CD1 3.86Å; F260-I357 HydrophobicContact CZ-CG2 4.18Å; I283-I357 HydrophobicContact CD1-CD1 4.07Å; I283-I357 HydrophobicContact CG2-CD1 4.1Å; H298-I357 HydrophobicContact CB-CG1 3.94Å; H298-I357 PolarHBondContact N-O 3.06Å; H298-I357 PolarHBondContact O-N 3.31Å; L300-I357 HydrophobicContact CD1-CD1 3.94Å; L300-I357 HydrophobicContact CD1-CG1 4.13Å; L300-I357 HydrophobicContact CD1-CG2 4.36Å; L300-I357 HydrophobicContact CG-CG1 4.3Å; F355-I357 HydrophobicContact CD1-CG2 4.26Å; F355-I357 HydrophobicContact CE1-CG2 3.49Å; F355-I357 VanDerWaalsContact CE1-CG2 3.49Å; F355-I357 HydrophobicContact CE2-CG2 4.34Å; F355-I357 HydrophobicContact CZ-CG2 3.55Å; I357-T359 HydrophobicContact CD1-CG2 3.9Å; I357-T359 HydrophobicContact CG1-CG2 4.47Å
358N95.5Very high87.9Confident62 Ų6232 Ų3233%0.33218%0.183SC..EExtended strand (participates in β ladder)trans-116.2138.8165.2-7382.3000109.2S178 G296S178-N358 PolarHBondContact N-O 2.82Å; S178-N358 PolarHBondContact O-N 3.21Å; G296-N358 CarbonylContact O-C 3.39Å; G296-N358 WeakPolarHBondContact O-CA 3.39Å
359T94.3Very high88Confident2 Ų233.4 Ų33.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-121.6147.9174.973.30000112.1L175 Y176 V177 L293 K294 D295 G296 H298 I357L175-T359 HydrophobicContact CD1-CG2 4.44Å; Y176-T359 VanDerWaalsContact O-CA 3.27Å; Y176-T359 WeakPolarHBondContact O-CA 3.38Å; V177-T359 HydrophobicContact CG2-CG2 4.34Å; L293-T359 HydrophobicContact CD2-CG2 3.82Å; K294-T359 PolarHBondContact O-OG1 2.86Å; D295-T359 WeakPolarHBondContact CA-O 3.14Å; G296-T359 PolarHBondContact N-O 3.15Å; G296-T359 PolarHBondContact O-N 3.12Å; H298-T359 PolarHBondContact NE2-OG1 3.45Å; I357-T359 HydrophobicContact CD1-CG2 3.9Å; I357-T359 HydrophobicContact CG1-CG2 4.47Å
360V91.7Very high88.1Confident56 Ų5634.3 Ų34.334%0.33919%0.194SC..EExtended strand (participates in β ladder)trans-135.1120.8169.8179.30000107.4Y176 D295Y176-V360 PolarHBondContact N-O 2.88Å; Y176-V360 PolarHBondContact O-N 2.68Å; D295-V360 WeakPolarHBondContact OD1-CA 3.45Å
361V90.1Very high88.2Confident11 Ų1136.7 Ų36.77%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-101.7120.1178.7179.60000108.4L175 V292 D295L175-V361 HydrophobicContact CD1-CG2 3.76Å; V292-V361 HydrophobicContact CG1-CG1 4.4Å; V292-V361 HydrophobicContact CG2-CB 4.48Å; V292-V361 HydrophobicContact CG2-CG1 3.81Å; V292-V361 HydrophobicContact CG2-CG2 4Å; D295-V361 WeakPolarHBondContact OD1-CB 3.33Å; D295-V361 PolarHBondContact OD1-N 3.21Å
362C86.3Confident88.8Confident2 Ų232.9 Ų32.91%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-111.583.9171.2-57.70000108G161 F162 R172 N173 D174G161-C362 WeakPolarHBondContact CA-SG 3.28Å; G161-C362 PolarHBondContact N-SG 3.3Å; G161-C362 VanDerWaalsContact N-SG 3.37Å; F162-C362 HydrophobicContact CE1-CB 4.35Å; F162-C362 HydrophobicContact CE2-CB 4.38Å; F162-C362 HydrophobicContact CZ-CB 4.13Å; R172-C362 CarbonylContact C-O 3.59Å; N173-C362 WeakPolarHBondContact CA-O 3.4Å; N173-C362 PolarHBondContact N-O 3.5Å; D174-C362 HydrophobicContact CB-CB 4.3Å; D174-C362 PolarHBondContact N-O 3.31Å; D174-C362 PolarHBondContact O-N 3.41Å
363S86.1Confident89Confident6 Ų627 Ų274%0.04216%0.156CC..EExtended strand (participates in β ladder)trans-115.3124.2177.6-176.50000112.8F162 R172 N173 S365 L366F162-S363 WeakPolarHBondContact CZ-O 3.05Å; R172-S363 CarbonylContact O-C 3.39Å; R172-S363 WeakPolarHBondContact O-CA 3.25Å; N173-S363 WeakPolarHBondContact OD1-CB 3.49Å; N173-S363 PolarHBondContact OD1-OG 2.84Å; S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact OG-N 2.91Å; S363-S365 VanDerWaalsContact OG-N 3.12Å; S363-L366 WeakPolarHBondContact OG-CB 3.3Å; S363-L366 PolarHBondContact OG-N 3.25Å
364T83.4Confident88.9Confident18 Ų1827 Ų2711%0.1116%0.157CC..SBendtrans-85.75.5167.5520000112.7F162 I166 D170 R172 F407F162-T364 HydrophobicContact CD1-CG2 4.28Å; F162-T364 HydrophobicContact CE1-CG2 3.56Å; F162-T364 HydrophobicContact CZ-CG2 4.34Å; I166-T364 HydrophobicContact CG2-CG2 3.67Å; D170-T364 WeakPolarHBondContact O-CG2 3.24Å; D170-T364 PolarHBondContact O-OG1 2.89Å; R172-T364 HydrophobicContact CB-CG2 4.3Å; R172-T364 PolarHBondContact N-OG1 2.91Å; R172-T364 PolarHBondContact O-N 3.43Å; R172-T364 PolarHBondContact O-OG1 3.2Å; T364-F407 WeakPolarHBondContact O-CE1 3.1Å
365S82.5Confident88.9Confident59 Ų5925 Ų2541%0.41314%0.144SC..SBendtrans-125.6-23-176.4-49.80000113.9S363S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact OG-N 2.91Å; S363-S365 VanDerWaalsContact OG-N 3.12Å
366L85.8Confident88.5Confident48 Ų4827.1 Ų27.125%0.25116%0.155SC..  trans-124.4119.7-173.1-55.7171000109.8Y253 V292 S363Y253-L366 HydrophobicContact CD1-CD1 3.47Å; Y253-L366 VanDerWaalsContact CD1-CD1 3.47Å; Y253-L366 HydrophobicContact CD2-CD1 3.58Å; Y253-L366 HydrophobicContact CE1-CD1 3.84Å; Y253-L366 HydrophobicContact CE2-CD1 3.93Å; Y253-L366 HydrophobicContact CG-CD1 3.37Å; V292-L366 HydrophobicContact CB-CB 4.08Å; V292-L366 HydrophobicContact CG1-CB 3.86Å; S363-L366 WeakPolarHBondContact OG-CB 3.3Å; S363-L366 PolarHBondContact OG-N 3.25Å
367T87.7Confident88Confident3 Ų330.6 Ų30.62%0.01817%0.171CC..  trans-93.4148.1179.9-179.70000112.8T291 V292 N369 L372 L373 L376 E403T291-T367 WeakPolarHBondContact CB-O 3.46Å; V292-T367 WeakPolarHBondContact CG1-O 3.34Å; V292-T367 PolarHBondContact N-O 3.48Å; T367-N369 VanDerWaalsContact C-N 3.33Å; T367-N369 WeakPolarHBondContact CG2-O 3.41Å; T367-N369 PolarHBondContact OG1-N 3.26Å; T367-L372 HydrophobicContact CG2-CB 4.48Å; T367-L372 HydrophobicContact CG2-CG 4.41Å; T367-L373 HydrophobicContact CG2-CB 3.74Å; T367-L373 HydrophobicContact CG2-CD1 4.21Å; T367-L376 HydrophobicContact CG2-CD1 4.47Å; T367-E403 PolarHBondContact OG1-OE2 3.38Å
368Q87.3Confident87.5Confident38 Ų3831.6 Ų31.618%0.17818%0.175CC..SBendtrans-85.9-6.7170.2-69.6178.3-10.800112.8V292 L293 D295 E403V292-Q368 HydrophobicContact CG1-CG 3.75Å; L293-Q368 PolarHBondContact O-NE2 3.13Å; D295-Q368 PolarHBondContact OD1-NE2 2.96Å; Q368-E403 PolarHBondContact N-OE2 3.09Å
369N86.6Confident86.9Confident61 Ų6134.7 Ų34.733%0.32619%0.187SC..  trans-97.1121.7-178.2-176.6-37.4000111T367 D371 L372 L373 E403T367-N369 VanDerWaalsContact C-N 3.33Å; T367-N369 WeakPolarHBondContact CG2-O 3.41Å; T367-N369 PolarHBondContact OG1-N 3.26Å; N369-D371 PolarHBondContact OD1-N 3.48Å; N369-L372 HydrophobicContact CB-CB 3.84Å; N369-L372 PolarHBondContact OD1-N 2.83Å; N369-L373 WeakPolarHBondContact O-CB 3.07Å; N369-L373 PolarHBondContact O-N 2.85Å; N369-E403 HydrophobicContact CB-CG 4.29Å
370V85.6Confident86.2Confident63 Ų6340.1 Ų40.138%0.38222%0.22SC..Hα-helixtrans-67.7-41.4-176.8-178.20000112.1N289 T291 L373 G374N289-V370 HydrophobicContact CB-CG1 4.42Å; N289-V370 HydrophobicContact CB-CG2 4.07Å; N289-V370 WeakPolarHBondContact ND2-CG2 3.24Å; T291-V370 HydrophobicContact CG2-CB 4.28Å; T291-V370 HydrophobicContact CG2-CG2 3.75Å; V370-L373 PolarHBondContact O-N 2.92Å; V370-G374 PolarHBondContact O-N 2.87Å
371D85.5Confident85.5Confident61 Ų6140.5 Ų40.533%0.32622%0.217SC..Hα-helixtrans-70.4-39.9-178-67.2-34.5000110.5N369 G374 L375 S388 S391N369-D371 PolarHBondContact OD1-N 3.48Å; D371-G374 WeakPolarHBondContact O-CA 3.45Å; D371-G374 PolarHBondContact O-N 3Å; D371-L375 PolarHBondContact O-N 3.06Å; D371-S388 WeakPolarHBondContact O-CB 3.46Å; D371-S388 PolarHBondContact O-OG 3.21Å; D371-S391 VanDerWaalsContact CG-CB 3.43Å; D371-S391 WeakPolarHBondContact OD2-CB 3.44Å; D371-S391 PolarHBondContact OD2-OG 3.08Å
372L87.6Confident84.9Confident5 Ų547.2 Ų47.23%0.02624%0.242CC..Hα-helixtrans-64.5-42.2173.6-178.357.7000111.5T367 N369 G374 L375 L376 L392 E403 F407 I411T367-L372 HydrophobicContact CG2-CB 4.48Å; T367-L372 HydrophobicContact CG2-CG 4.41Å; N369-L372 HydrophobicContact CB-CB 3.84Å; N369-L372 PolarHBondContact OD1-N 2.83Å; L372-G374 PolarHBondContact O-N 2.97Å; L372-L375 HydrophobicContact CD1-CD2 4.39Å; L372-L375 WeakPolarHBondContact O-CA 3.44Å; L372-L375 WeakPolarHBondContact O-CB 3.37Å; L372-L375 PolarHBondContact O-N 2.78Å; L372-L376 HydrophobicContact CD1-CD1 4.45Å; L372-L376 HydrophobicContact CD1-CG 4.24Å; L372-L376 HydrophobicContact CG-CD1 4.16Å; L372-L376 HydrophobicContact CG-CG 4.38Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 2.88Å; L372-L392 HydrophobicContact CD1-CD1 4.28Å; L372-E403 HydrophobicContact CD2-CB 3.87Å; L372-F407 HydrophobicContact CD2-CB 4.42Å; L372-F407 HydrophobicContact CD2-CD2 3.73Å; L372-F407 HydrophobicContact CD2-CE2 4.48Å; L372-F407 HydrophobicContact CD2-CG 4.35Å; L372-I411 HydrophobicContact CD1-CD1 3.56Å; L372-I411 HydrophobicContact CD1-CG1 3.69Å; L372-I411 HydrophobicContact CD2-CD1 4.42Å
373L86.2Confident84.5Confident19 Ų1953.7 Ų53.710%0.09928%0.28CS..Hα-helixtrans-59.7-39.4172.6-175.964.8000111.2G290 T291 T367 N369 V370 L375 L376 E377G290-L373 WeakPolarHBondContact O-CD2 3.41Å; T291-L373 HydrophobicContact CG2-CB 4.33Å; T291-L373 HydrophobicContact CG2-CD2 3.92Å; T367-L373 HydrophobicContact CG2-CB 3.74Å; T367-L373 HydrophobicContact CG2-CD1 4.21Å; N369-L373 WeakPolarHBondContact O-CB 3.07Å; N369-L373 PolarHBondContact O-N 2.85Å; V370-L373 PolarHBondContact O-N 2.92Å; L373-L375 VanDerWaalsContact C-N 3.27Å; L373-L375 PolarHBondContact O-N 3.04Å; L373-L376 PolarHBondContact O-N 2.67Å; L373-E377 HydrophobicContact CD1-CG 3.95Å; L373-E377 HydrophobicContact CG-CG 4.45Å; L373-E377 WeakPolarHBondContact O-CB 3.37Å; L373-E377 PolarHBondContact O-N 3.28Å
374G86.2Confident84.2Confident4 Ų457.3 Ų57.34%0.04130%0.299CS..Hα-helixtrans-61.3-32.7173.300000113.8V370 D371 L372 W378V370-G374 PolarHBondContact O-N 2.87Å; D371-G374 WeakPolarHBondContact O-CA 3.45Å; D371-G374 PolarHBondContact O-N 3Å; L372-G374 PolarHBondContact O-N 2.97Å; G374-W378 WeakPolarHBondContact O-CA 3.4Å; G374-W378 PolarHBondContact O-N 2.91Å
375L89.5Confident84.4Confident1 Ų156.5 Ų56.51%0.00530%0.295CS..Hα-helixtrans-74.8-48.9174-176.960.8000111.8D371 L372 L373 E377 W378 L385 L389 L392 I411 V414D371-L375 PolarHBondContact O-N 3.06Å; L372-L375 HydrophobicContact CD1-CD2 4.39Å; L372-L375 WeakPolarHBondContact O-CA 3.44Å; L372-L375 WeakPolarHBondContact O-CB 3.37Å; L372-L375 PolarHBondContact O-N 2.78Å; L373-L375 VanDerWaalsContact C-N 3.27Å; L373-L375 PolarHBondContact O-N 3.04Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 2.76Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.88Å; L375-W378 VanDerWaalsContact O-N 3.15Å; L375-L385 HydrophobicContact CD1-CD1 3.64Å; L375-L389 HydrophobicContact CD1-CD2 3.74Å; L375-L389 HydrophobicContact CD1-CG 4.18Å; L375-L392 HydrophobicContact CD2-CD1 4.4Å; L375-L392 HydrophobicContact CD2-CD2 3.85Å; L375-I411 HydrophobicContact CD2-CG2 4.47Å; L375-V414 HydrophobicContact CD1-CG1 3.81Å; L375-V414 HydrophobicContact CG-CG1 3.95Å; L375-V414 WeakPolarHBondContact O-CG1 3.47Å
376L87.4Confident84.7Confident45 Ų4559 Ų5924%0.23630%0.298CS..Hα-helixtrans-63.3-37.8-179.1-65.9175.3000111.7T367 L372 L373 W378 F407 D410 I411 V414T367-L376 HydrophobicContact CG2-CD1 4.47Å; L372-L376 HydrophobicContact CD1-CD1 4.45Å; L372-L376 HydrophobicContact CD1-CG 4.24Å; L372-L376 HydrophobicContact CG-CD1 4.16Å; L372-L376 HydrophobicContact CG-CG 4.38Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 2.88Å; L373-L376 PolarHBondContact O-N 2.67Å; L376-W378 VanDerWaalsContact C-N 3.35Å; L376-F407 HydrophobicContact CD1-CD1 4.23Å; L376-F407 HydrophobicContact CD1-CG 4.31Å; L376-D410 HydrophobicContact CD2-CB 3.78Å; L376-I411 HydrophobicContact CD2-CG1 4.33Å; L376-V414 HydrophobicContact CD2-CG2 4.27Å
377E86.2Confident84.8Confident78 Ų7860.9 Ų60.936%0.36431%0.307SS..THydrogen-bonded Turntrans-95.425.6176.2-58.8-179.115200113L373 L375 E379 T380 K381L373-E377 HydrophobicContact CD1-CG 3.95Å; L373-E377 HydrophobicContact CG-CG 4.45Å; L373-E377 WeakPolarHBondContact O-CB 3.37Å; L373-E377 PolarHBondContact O-N 3.28Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 2.76Å; E377-E379 PolarHBondContact O-N 2.87Å; E377-T380 PolarHBondContact O-N 2.91Å; E377-T380 PolarHBondContact O-OG1 3.47Å; E377-K381 HydrophobicContact CB-CD 4.47Å; E377-K381 PolarHBondContact O-N 2.86Å; E377-K381 VanDerWaalsContact O-N 3.12Å; E377-K381 WeakPolarHBondContact OE2-CE 3.46Å; E377-K381 IonicContact OE2-NZ 3.75Å; E377-K381 PolarHBondContact OE2-NZ 2.88Å
378W85.3Confident84.8Confident22 Ų2260.9 Ų60.98%0.08331%0.308CS..THydrogen-bonded Turntrans-54.4-31.6-171.371.3-79.9000114G374 L375 L376 T380 K381 R382 L385 V414 T417 V418G374-W378 WeakPolarHBondContact O-CA 3.4Å; G374-W378 PolarHBondContact O-N 2.91Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.88Å; L375-W378 VanDerWaalsContact O-N 3.15Å; L376-W378 VanDerWaalsContact C-N 3.35Å; W378-T380 PolarHBondContact O-N 3.49Å; W378-K381 CarbonylContact O-C 3.6Å; W378-K381 PolarHBondContact O-N 2.76Å; W378-R382 HydrophobicContact CE3-CG 4.37Å; W378-R382 VanDerWaalsContact O-CA 3.31Å; W378-R382 WeakPolarHBondContact O-CA 3.31Å; W378-R382 WeakPolarHBondContact O-CG 3.44Å; W378-R382 PolarHBondContact O-N 3.41Å; W378-L385 HydrophobicContact CB-CD1 3.8Å; W378-L385 HydrophobicContact CB-CD2 4.49Å; W378-L385 HydrophobicContact CE3-CD2 3.97Å; W378-V414 HydrophobicContact CG-CG1 4.39Å; W378-T417 HydrophobicContact CZ2-CG2 3.99Å; W378-V418 HydrophobicContact CD2-CG2 3.73Å; W378-V418 HydrophobicContact CE3-CG2 4.1Å; W378-V418 HydrophobicContact CG-CG2 4.12Å; W378-V418 HydrophobicContact CH2-CG2 4.42Å; W378-V418 HydrophobicContact CZ2-CG2 4.1Å; W378-V418 HydrophobicContact CZ3-CG2 4.42Å
379E83.3Confident85Confident127 Ų12759.1 Ų59.159%0.59330%0.299SS*.THydrogen-bonded Turntrans-60-36178.6-67.6-168.6173.200112.2E377E377-E379 PolarHBondContact O-N 2.87Å
380T80.7Confident85.1Confident116 Ų11659.4 Ų59.471%0.71230%0.298SS*.THydrogen-bonded Turntrans-88.3-27.8177.768.20000112.5E377 W378E377-T380 PolarHBondContact O-N 2.91Å; E377-T380 PolarHBondContact O-OG1 3.47Å; W378-T380 PolarHBondContact O-N 3.49Å
381K76.9Confident85.1Confident63 Ų6357.3 Ų57.327%0.27429%0.287SS..  trans-112.534.9-175.5-70.1172.4177.7160.20113.6E377 W378 V383 N384E377-K381 HydrophobicContact CB-CD 4.47Å; E377-K381 PolarHBondContact O-N 2.86Å; E377-K381 VanDerWaalsContact O-N 3.12Å; E377-K381 WeakPolarHBondContact OE2-CE 3.46Å; E377-K381 IonicContact OE2-NZ 3.75Å; E377-K381 PolarHBondContact OE2-NZ 2.88Å; W378-K381 CarbonylContact O-C 3.6Å; W378-K381 PolarHBondContact O-N 2.76Å; K381-V383 PolarHBondContact O-N 2.81Å; K381-N384 PolarHBondContact O-N 2.86Å
382R76.3Confident85.1Confident153 Ų15355 Ų5558%0.57727%0.274SS*.G310 helixtrans-50.5-35.1-172.6-68.7-171.7-177.5-164.2-2.6115.2W378 N384 L385W378-R382 HydrophobicContact CE3-CG 4.37Å; W378-R382 VanDerWaalsContact O-CA 3.31Å; W378-R382 WeakPolarHBondContact O-CA 3.31Å; W378-R382 WeakPolarHBondContact O-CG 3.44Å; W378-R382 PolarHBondContact O-N 3.41Å; R382-N384 PolarHBondContact O-N 2.83Å; R382-L385 WeakPolarHBondContact O-CB 3.5Å; R382-L385 PolarHBondContact O-N 2.98Å
383V78.6Confident85.1Confident137 Ų13757.2 Ų57.283%0.8329%0.285SS*.G310 helixtrans-60.4-32.4-179.7-178.20000112K381K381-V383 PolarHBondContact O-N 2.81Å
384N80.8Confident84.8Confident82 Ų8262.7 Ų62.744%0.43931%0.308SS..G310 helixtrans-95-2.2-176.4-65.9-12.7000113.2K381 R382 K386 I387 S388K381-N384 PolarHBondContact O-N 2.86Å; R382-N384 PolarHBondContact O-N 2.83Å; N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 2.87Å; N384-I387 WeakPolarHBondContact O-CB 3.32Å; N384-I387 PolarHBondContact O-N 3.45Å; N384-S388 PolarHBondContact O-N 3.03Å; N384-S388 PolarHBondContact O-OG 3.47Å
385L87.2Confident83.7Confident2 Ų265.5 Ų65.51%0.0132%0.322CS..Hα-helixtrans-56.4-41.3-173.2177.756.9000113.1L375 W378 R382 I387 S388 L389 V418 Y425L375-L385 HydrophobicContact CD1-CD1 3.64Å; W378-L385 HydrophobicContact CB-CD1 3.8Å; W378-L385 HydrophobicContact CB-CD2 4.49Å; W378-L385 HydrophobicContact CE3-CD2 3.97Å; R382-L385 WeakPolarHBondContact O-CB 3.5Å; R382-L385 PolarHBondContact O-N 2.98Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3Å; L385-S388 PolarHBondContact O-N 3.11Å; L385-L389 HydrophobicContact CD1-CD1 4.15Å; L385-L389 HydrophobicContact CD1-CG 4.1Å; L385-L389 HydrophobicContact CG-CD1 4.15Å; L385-L389 WeakPolarHBondContact O-CG 3.48Å; L385-L389 PolarHBondContact O-N 2.97Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L385-V418 HydrophobicContact CD2-CG2 4.25Å; L385-Y425 HydrophobicContact CD2-CD2 4.08Å; L385-Y425 HydrophobicContact CD2-CE1 4.46Å; L385-Y425 HydrophobicContact CD2-CE2 3.95Å; L385-Y425 HydrophobicContact CD2-CG 4.39Å
386K88.1Confident82.1Confident112 Ų11275 Ų7549%0.48737%0.366SS..Hα-helixtrans-59-46.4176.4-180174.2176.3-179.50111.6N384 L389 E390 Y425 L428N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 2.87Å; K386-L389 PolarHBondContact O-N 3.4Å; K386-E390 WeakPolarHBondContact CE-OE1 3.48Å; K386-E390 WeakPolarHBondContact O-CG 3.4Å; K386-E390 PolarHBondContact O-N 3.34Å; K386-Y425 HydrophobicContact CB-CE1 4.29Å; K386-L428 HydrophobicContact CG-CD1 3.9Å
387I88.3Confident80.7Confident86 Ų8675.3 Ų75.344%0.44138%0.381SS..Hα-helixtrans-65.6-42.8179.8-61170.5000109.6N384 L385 L389 E390 S391N384-I387 WeakPolarHBondContact O-CB 3.32Å; N384-I387 PolarHBondContact O-N 3.45Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3Å; I387-L389 PolarHBondContact O-N 3.46Å; I387-E390 PolarHBondContact O-N 2.86Å; I387-S391 VanDerWaalsContact O-CB 3.28Å; I387-S391 WeakPolarHBondContact O-CB 3.45Å; I387-S391 PolarHBondContact O-N 3.46Å; I387-S391 PolarHBondContact O-OG 3.31Å
388S88.4Confident79.4Confident4 Ų478.9 Ų78.93%0.02840%0.402CS..Hα-helixtrans-60.5-43.7176.5-730000112.9D371 N384 L385 S391 L392D371-S388 WeakPolarHBondContact O-CB 3.46Å; D371-S388 PolarHBondContact O-OG 3.21Å; N384-S388 PolarHBondContact O-N 3.03Å; N384-S388 PolarHBondContact O-OG 3.47Å; L385-S388 PolarHBondContact O-N 3.11Å; S388-S391 PolarHBondContact O-N 2.98Å; S388-L392 WeakPolarHBondContact O-CB 3.37Å; S388-L392 PolarHBondContact O-N 3.07Å
389L89.8Confident78.3Confident0 Ų087.6 Ų87.60%044%0.435CS..Hα-helixtrans-65-43.9175.6-73.5169.5000111.8L375 L385 K386 I387 L392 M393 L415 Y425 L428 V429 A432L375-L389 HydrophobicContact CD1-CD2 3.74Å; L375-L389 HydrophobicContact CD1-CG 4.18Å; L385-L389 HydrophobicContact CD1-CD1 4.15Å; L385-L389 HydrophobicContact CD1-CG 4.1Å; L385-L389 HydrophobicContact CG-CD1 4.15Å; L385-L389 WeakPolarHBondContact O-CG 3.48Å; L385-L389 PolarHBondContact O-N 2.97Å; K386-L389 PolarHBondContact O-N 3.4Å; I387-L389 PolarHBondContact O-N 3.46Å; L389-L392 WeakPolarHBondContact O-CB 3.46Å; L389-L392 PolarHBondContact O-N 2.81Å; L389-M393 WeakPolarHBondContact O-CE 3.49Å; L389-L415 HydrophobicContact CD2-CD2 3.62Å; L389-Y425 HydrophobicContact CD1-CD1 4.43Å; L389-L428 HydrophobicContact CB-CB 4.45Å; L389-L428 HydrophobicContact CD1-CB 3.99Å; L389-V429 HydrophobicContact CD1-CG2 4.19Å; L389-A432 HydrophobicContact CD2-CB 4.25Å
390E89.4Confident77.6Confident67 Ų6782.1 Ų82.131%0.31341%0.412SS..Hα-helixtrans-63.5-42.9176-73.5173.3-17800111.6K386 I387 M393 K394 L428K386-E390 WeakPolarHBondContact CE-OE1 3.48Å; K386-E390 WeakPolarHBondContact O-CG 3.4Å; K386-E390 PolarHBondContact O-N 3.34Å; I387-E390 PolarHBondContact O-N 2.86Å; E390-M393 PolarHBondContact O-N 3.46Å; E390-K394 WeakPolarHBondContact O-CG 3.32Å; E390-K394 PolarHBondContact O-N 3.46Å; E390-L428 HydrophobicContact CG-CD2 4.27Å
391S85.5Confident77.5Confident19 Ų1976.8 Ų76.813%0.13338%0.379CS..Hα-helixtrans-66.9-34.2177.8-79.90000113.2D371 I387 S388 M393 K394D371-S391 VanDerWaalsContact CG-CB 3.43Å; D371-S391 WeakPolarHBondContact OD2-CB 3.44Å; D371-S391 PolarHBondContact OD2-OG 3.08Å; I387-S391 VanDerWaalsContact O-CB 3.28Å; I387-S391 WeakPolarHBondContact O-CB 3.45Å; I387-S391 PolarHBondContact O-N 3.46Å; I387-S391 PolarHBondContact O-OG 3.31Å; S388-S391 PolarHBondContact O-N 2.98Å; S391-M393 PolarHBondContact O-N 3.17Å; S391-M393 VanDerWaalsContact O-N 3.15Å; S391-K394 PolarHBondContact O-N 2.91Å
392L86.4Confident77.6Confident12 Ų1277.4 Ų77.46%0.06338%0.383CS..Hα-helixtrans-55.7-31.8173.9-176.672000112L372 L375 S388 L389 V404 I411 A432 Y435 V436L372-L392 HydrophobicContact CD1-CD1 4.28Å; L375-L392 HydrophobicContact CD2-CD1 4.4Å; L375-L392 HydrophobicContact CD2-CD2 3.85Å; S388-L392 WeakPolarHBondContact O-CB 3.37Å; S388-L392 PolarHBondContact O-N 3.07Å; L389-L392 WeakPolarHBondContact O-CB 3.46Å; L389-L392 PolarHBondContact O-N 2.81Å; L392-V404 HydrophobicContact CD1-CG1 4.39Å; L392-V404 HydrophobicContact CD1-CG2 3.62Å; L392-I411 HydrophobicContact CD1-CD1 4.3Å; L392-I411 HydrophobicContact CD2-CG2 4.19Å; L392-A432 HydrophobicContact CD2-CB 4.07Å; L392-Y435 WeakPolarHBondContact O-CE1 3.36Å; L392-V436 HydrophobicContact CD2-CG2 4.49Å
393M87.4Confident78Confident52 Ų5271.6 Ų71.626%0.25636%0.363SS..THydrogen-bonded Turntrans-95.5-4.5-178.4-58.3-178.1-75.300113.5L389 E390 S391 D395 L428 D431 A432 Y435L389-M393 WeakPolarHBondContact O-CE 3.49Å; E390-M393 PolarHBondContact O-N 3.46Å; S391-M393 PolarHBondContact O-N 3.17Å; S391-M393 VanDerWaalsContact O-N 3.15Å; M393-D395 PolarHBondContact O-N 3.21Å; M393-L428 HydrophobicContact CE-CD2 4.46Å; M393-D431 HydrophobicContact CE-CB 4.32Å; M393-D431 VanDerWaalsContact SD-C 3.53Å; M393-D431 HydrophobicContact SD-CB 3.69Å; M393-A432 HydrophobicContact SD-CB 4.39Å; M393-Y435 HydrophobicContact CB-CD2 4.4Å; M393-Y435 HydrophobicContact CB-CG 4.32Å; M393-Y435 HydrophobicContact CG-CD1 4.29Å; M393-Y435 HydrophobicContact CG-CG 4.02Å
394K80.1Confident78.4Confident135 Ų13565.6 Ų65.659%0.58733%0.326SS*.  trans-89.784178.4-76.2176.9-169.2164.40109.5E390 S391E390-K394 WeakPolarHBondContact O-CG 3.32Å; E390-K394 PolarHBondContact O-N 3.46Å; S391-K394 PolarHBondContact O-N 2.91Å
395D62.2Low78.7Confident62 Ų6262 Ų6233%0.33231%0.308SS..  trans-122.5116.1-179.3-97.57.2000112.6M393 A400 G401 Y435M393-D395 PolarHBondContact O-N 3.21Å; D395-A400 HydrophobicContact CB-CB 3.71Å; D395-A400 VanDerWaalsContact OD2-C 3.28Å; D395-A400 VanDerWaalsContact OD2-CA 3.32Å; D395-A400 WeakPolarHBondContact OD2-CA 3.3Å; D395-G401 WeakPolarHBondContact OD2-CA 3.31Å; D395-G401 PolarHBondContact OD2-N 2.94Å; D395-Y435 WeakPolarHBondContact CB-OH 3.06Å; D395-Y435 VanDerWaalsContact CG-OH 3.25Å; D395-Y435 PolarHBondContact OD2-OH 3.43Å
396E55Low78.6Confident200 Ų20063.1 Ų63.194%0.93531%0.312SS*.  trans-122.1129.3169.8-67.2-172.2171.400109.5
397G59.4Low78.6Confident52 Ų5258 Ų5854%0.53629%0.29SS..SBendtrans110.2-179.6169.700000116.9R399 A400G397-R399 VanDerWaalsContact C-N 3.31Å; G397-R399 PolarHBondContact O-N 3.04Å; G397-A400 WeakPolarHBondContact O-CB 3.18Å; G397-A400 PolarHBondContact O-N 3.46Å
398D57.6Low78.7Confident153 Ų15354 Ų5482%0.81827%0.269SS*.THydrogen-bonded Turntrans-70.3-22.7-170.6-69.7-28.4000114.5R444D398-R444 PolarHBondContact O-NH1 3.26Å
399R64.2Low78.8Confident206 Ų20654.6 Ų54.678%0.77727%0.272SS*.THydrogen-bonded Turntrans-99.59.6178.2-59.6-174.9-172.7172-0.1113.6G397 G401 E402G397-R399 VanDerWaalsContact C-N 3.31Å; G397-R399 PolarHBondContact O-N 3.04Å; R399-G401 PolarHBondContact O-N 2.75Å; R399-E402 WeakPolarHBondContact O-CB 3.1Å; R399-E402 PolarHBondContact O-N 3.2Å
400A66.9Low78.8Confident12 Ų1257.3 Ų57.310%0.09929%0.286CS..THydrogen-bonded Turntrans-52.6125.8172.900000110.6D395 G397 E402 Y445D395-A400 HydrophobicContact CB-CB 3.71Å; D395-A400 VanDerWaalsContact OD2-C 3.28Å; D395-A400 VanDerWaalsContact OD2-CA 3.32Å; D395-A400 WeakPolarHBondContact OD2-CA 3.3Å; G397-A400 WeakPolarHBondContact O-CB 3.18Å; G397-A400 PolarHBondContact O-N 3.46Å; A400-E402 VanDerWaalsContact C-N 3.31Å; A400-E402 PolarHBondContact O-N 2.83Å; A400-Y445 PolarHBondContact O-OH 3.31Å
401G78.4Confident78.9Confident3 Ų354.1 Ų54.13%0.03127%0.272CS..THydrogen-bonded Turntrans80.1-0.417500000115.9D395 R399 E403 V404 V405D395-G401 WeakPolarHBondContact OD2-CA 3.31Å; D395-G401 PolarHBondContact OD2-N 2.94Å; R399-G401 PolarHBondContact O-N 2.75Å; G401-E403 PolarHBondContact O-N 3.03Å; G401-V404 WeakPolarHBondContact O-CA 3.13Å; G401-V404 WeakPolarHBondContact O-CB 3.3Å; G401-V404 PolarHBondContact O-N 2.92Å; G401-V405 PolarHBondContact O-N 2.96Å
402E80.3Confident79.3Confident77 Ų7753.2 Ų53.236%0.3627%0.265SS..Hα-helixtrans-62.5-43.3-176-163.1-164.9138.500111.7R399 A400 V404 V405 K406 Y445R399-E402 WeakPolarHBondContact O-CB 3.1Å; R399-E402 PolarHBondContact O-N 3.2Å; A400-E402 VanDerWaalsContact C-N 3.31Å; A400-E402 PolarHBondContact O-N 2.83Å; E402-V404 VanDerWaalsContact C-N 3.34Å; E402-V405 WeakPolarHBondContact O-CG2 3.23Å; E402-K406 VanDerWaalsContact O-CG 3.31Å; E402-K406 WeakPolarHBondContact O-CG 3.21Å; E402-K406 PolarHBondContact O-N 3.32Å; E402-K406 VanDerWaalsContact OE1-CE 3.31Å; E402-K406 WeakPolarHBondContact OE1-CE 3.42Å; E402-K406 IonicContact OE1-NZ 3.96Å; E402-K406 PolarHBondContact OE1-NZ 3.24Å; E402-Y445 PolarHBondContact N-OH 2.86Å
403E83.8Confident79.6Confident31 Ų3154.4 Ų54.415%0.14527%0.272CS..Hα-helixtrans-69.2-34.7172.9-68.5-69.1105.800111.3T367 Q368 N369 L372 G401 V405 K406 F407T367-E403 PolarHBondContact OG1-OE2 3.38Å; Q368-E403 PolarHBondContact N-OE2 3.09Å; N369-E403 HydrophobicContact CB-CG 4.29Å; L372-E403 HydrophobicContact CD2-CB 3.87Å; G401-E403 PolarHBondContact O-N 3.03Å; E403-V405 VanDerWaalsContact C-N 3.35Å; E403-V405 PolarHBondContact O-N 2.92Å; E403-K406 PolarHBondContact O-N 3.12Å; E403-K406 VanDerWaalsContact OE1-CD 3.3Å; E403-K406 WeakPolarHBondContact OE1-CD 3.46Å; E403-K406 IonicContact OE1-NZ 2.81Å; E403-K406 PolarHBondContact OE1-NZ 3.22Å; E403-F407 VanDerWaalsContact O-CD2 3.27Å; E403-F407 WeakPolarHBondContact O-CD2 3.36Å; E403-F407 PolarHBondContact O-N 2.68Å; E403-F407 VanDerWaalsContact O-N 3.14Å
404V87.8Confident79.9Confident10 Ų1052.8 Ų52.86%0.06126%0.264CS..Hα-helixtrans-63.1-41.8179.3-178.80000111.1L392 G401 E402 F407 L408 I411 V436 L439L392-V404 HydrophobicContact CD1-CG1 4.39Å; L392-V404 HydrophobicContact CD1-CG2 3.62Å; G401-V404 WeakPolarHBondContact O-CA 3.13Å; G401-V404 WeakPolarHBondContact O-CB 3.3Å; G401-V404 PolarHBondContact O-N 2.92Å; E402-V404 VanDerWaalsContact C-N 3.34Å; V404-F407 CarbonylContact O-C 3.56Å; V404-L408 WeakPolarHBondContact O-CA 3.45Å; V404-L408 PolarHBondContact O-N 2.79Å; V404-I411 HydrophobicContact CB-CD1 4.18Å; V404-I411 HydrophobicContact CG1-CD1 3.83Å; V404-I411 WeakPolarHBondContact O-CD1 3.32Å; V404-V436 HydrophobicContact CG1-CG2 3.95Å; V404-L439 HydrophobicContact CB-CD2 3.83Å; V404-L439 HydrophobicContact CG1-CD2 3.82Å
405V86.6Confident80.6Confident8 Ų846.4 Ų46.45%0.04824%0.237CC..Hα-helixtrans-73.1-31.9178.3-62.30000113G401 E402 E403 F407 L408 L439 Y445 F448G401-V405 PolarHBondContact O-N 2.96Å; E402-V405 WeakPolarHBondContact O-CG2 3.23Å; E403-V405 VanDerWaalsContact C-N 3.35Å; E403-V405 PolarHBondContact O-N 2.92Å; V405-F407 VanDerWaalsContact C-N 3.34Å; V405-F407 PolarHBondContact O-N 3.02Å; V405-L408 WeakPolarHBondContact O-CB 3.3Å; V405-L408 PolarHBondContact O-N 2.91Å; V405-L439 HydrophobicContact CG1-CD2 4.04Å; V405-Y445 HydrophobicContact CB-CD1 4.27Å; V405-Y445 HydrophobicContact CB-CE1 4.44Å; V405-Y445 HydrophobicContact CG1-CD1 3.65Å; V405-Y445 HydrophobicContact CG1-CD2 4.36Å; V405-Y445 HydrophobicContact CG1-CE1 3.98Å; V405-Y445 HydrophobicContact CG1-CG 3.86Å; V405-Y445 HydrophobicContact CG2-CD1 3.88Å; V405-Y445 HydrophobicContact CG2-CE1 3.65Å; V405-F448 HydrophobicContact CB-CD1 3.96Å; V405-F448 HydrophobicContact CB-CD2 4.33Å; V405-F448 HydrophobicContact CB-CE1 3.74Å; V405-F448 HydrophobicContact CB-CE2 4.14Å; V405-F448 HydrophobicContact CB-CG 4.25Å; V405-F448 HydrophobicContact CB-CZ 3.84Å; V405-F448 HydrophobicContact CG1-CG 4.45Å; V405-F448 HydrophobicContact CG2-CE1 4.23Å; V405-F448 HydrophobicContact CG2-CE2 4.1Å; V405-F448 HydrophobicContact CG2-CZ 3.84Å; V405-F448 WeakPolarHBondContact O-CE1 3.36Å
406K84.6Confident82.2Confident25 Ų2543.8 Ų43.811%0.10922%0.223CC..Hα-helixtrans-61.2-43174.3-72.7170.4-166.9167.80111.9F162 I166 E402 E403F162-K406 HydrophobicContact CD2-CD 4.14Å; F162-K406 HydrophobicContact CD2-CG 4.27Å; F162-K406 HydrophobicContact CE2-CD 3.74Å; F162-K406 HydrophobicContact CE2-CG 4.17Å; I166-K406 HydrophobicContact CD1-CB 4.04Å; I166-K406 HydrophobicContact CD1-CG 3.59Å; E402-K406 VanDerWaalsContact O-CG 3.31Å; E402-K406 WeakPolarHBondContact O-CG 3.21Å; E402-K406 PolarHBondContact O-N 3.32Å; E402-K406 VanDerWaalsContact OE1-CE 3.31Å; E402-K406 WeakPolarHBondContact OE1-CE 3.42Å; E402-K406 IonicContact OE1-NZ 3.96Å; E402-K406 PolarHBondContact OE1-NZ 3.24Å; E403-K406 PolarHBondContact O-N 3.12Å; E403-K406 VanDerWaalsContact OE1-CD 3.3Å; E403-K406 WeakPolarHBondContact OE1-CD 3.46Å; E403-K406 IonicContact OE1-NZ 2.81Å; E403-K406 PolarHBondContact OE1-NZ 3.22Å
407F88.5Confident84.1Confident3 Ų337.2 Ų37.21%0.01320%0.196CC..THydrogen-bonded Turntrans-102.721.8-179-61.5-77.5000112.4T364 L372 L376 E403 V404 V405 Q409 D410 I411T364-F407 WeakPolarHBondContact O-CE1 3.1Å; L372-F407 HydrophobicContact CD2-CB 4.42Å; L372-F407 HydrophobicContact CD2-CD2 3.73Å; L372-F407 HydrophobicContact CD2-CE2 4.48Å; L372-F407 HydrophobicContact CD2-CG 4.35Å; L376-F407 HydrophobicContact CD1-CD1 4.23Å; L376-F407 HydrophobicContact CD1-CG 4.31Å; E403-F407 VanDerWaalsContact O-CD2 3.27Å; E403-F407 WeakPolarHBondContact O-CD2 3.36Å; E403-F407 PolarHBondContact O-N 2.68Å; E403-F407 VanDerWaalsContact O-N 3.14Å; V404-F407 CarbonylContact O-C 3.56Å; V405-F407 VanDerWaalsContact C-N 3.34Å; V405-F407 PolarHBondContact O-N 3.02Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 3.43Å; F407-Q409 VanDerWaalsContact O-N 3.15Å; F407-D410 PolarHBondContact O-N 3.15Å; F407-D410 VanDerWaalsContact O-N 3.09Å; F407-I411 HydrophobicContact CB-CD1 4.06Å; F407-I411 HydrophobicContact CB-CG1 4.15Å; F407-I411 WeakPolarHBondContact O-CB 3.3Å; F407-I411 VanDerWaalsContact O-CG1 3.28Å; F407-I411 WeakPolarHBondContact O-CG1 3.46Å; F407-I411 PolarHBondContact O-N 2.96Å
408L90.8Very high85.6Confident3 Ų334.8 Ų34.82%0.01617%0.171CC..Hα-helixtrans-50.8-47.8-170.1172.658.2000112.6V404 V405 I411 L412 V436 I440 F448 V451V404-L408 WeakPolarHBondContact O-CA 3.45Å; V404-L408 PolarHBondContact O-N 2.79Å; V405-L408 WeakPolarHBondContact O-CB 3.3Å; V405-L408 PolarHBondContact O-N 2.91Å; L408-I411 PolarHBondContact O-N 3Å; L408-L412 HydrophobicContact CD1-CD1 3.89Å; L408-L412 HydrophobicContact CD1-CG 4.13Å; L408-L412 HydrophobicContact CG-CD1 4.1Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.49Å; L408-L412 PolarHBondContact O-N 3.34Å; L408-V436 HydrophobicContact CD1-CG1 3.3Å; L408-I440 HydrophobicContact CD1-CD1 3.69Å; L408-I440 HydrophobicContact CD2-CD1 3.54Å; L408-I440 HydrophobicContact CD2-CG1 4.31Å; L408-I440 HydrophobicContact CG-CD1 4.27Å; L408-F448 HydrophobicContact CD2-CD1 4.41Å; L408-V451 HydrophobicContact CD2-CB 4.39Å; L408-V451 HydrophobicContact CD2-CG1 4.16Å
409Q89.4Confident87.4Confident17 Ų1727.5 Ų27.58%0.07913%0.132CC..Hα-helixtrans-69.4-41.6-177-65.3176.481.900111.8F407 I411 L412 D413 V451 Y455 H459F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 3.43Å; F407-Q409 VanDerWaalsContact O-N 3.15Å; Q409-I411 VanDerWaalsContact C-N 3.34Å; Q409-L412 PolarHBondContact O-N 3.01Å; Q409-D413 PolarHBondContact O-N 3.18Å; Q409-V451 HydrophobicContact CG-CG1 4.04Å; Q409-Y455 HydrophobicContact CB-CD2 4.05Å; Q409-Y455 HydrophobicContact CB-CE2 4.42Å; Q409-Y455 HydrophobicContact CG-CD2 3.92Å; Q409-Y455 HydrophobicContact CG-CG 4.49Å; Q409-H459 PolarHBondContact OE1-CD2 2.75Å
410D89.7Confident88.6Confident57 Ų5721.9 Ų21.931%0.30512%0.116SC..Hα-helixtrans-66.5-38.5177.1-54.8-58.1000111.4L376 F407 D413 V414L376-D410 HydrophobicContact CD2-CB 3.78Å; F407-D410 PolarHBondContact O-N 3.15Å; F407-D410 VanDerWaalsContact O-N 3.09Å; D410-D413 PolarHBondContact O-N 3.48Å; D410-V414 WeakPolarHBondContact O-CB 3.41Å; D410-V414 VanDerWaalsContact O-CG2 3.25Å; D410-V414 WeakPolarHBondContact O-CG2 3.39Å; D410-V414 PolarHBondContact O-N 2.91Å
411I92.6Very high89.6Confident0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-62.2-46.7173.5-68.1169.3000109.9L372 L375 L376 L392 V404 F407 L408 Q409 V414 L415 V436L372-I411 HydrophobicContact CD1-CD1 3.56Å; L372-I411 HydrophobicContact CD1-CG1 3.69Å; L372-I411 HydrophobicContact CD2-CD1 4.42Å; L375-I411 HydrophobicContact CD2-CG2 4.47Å; L376-I411 HydrophobicContact CD2-CG1 4.33Å; L392-I411 HydrophobicContact CD1-CD1 4.3Å; L392-I411 HydrophobicContact CD2-CG2 4.19Å; V404-I411 HydrophobicContact CB-CD1 4.18Å; V404-I411 HydrophobicContact CG1-CD1 3.83Å; V404-I411 WeakPolarHBondContact O-CD1 3.32Å; F407-I411 HydrophobicContact CB-CD1 4.06Å; F407-I411 HydrophobicContact CB-CG1 4.15Å; F407-I411 WeakPolarHBondContact O-CB 3.3Å; F407-I411 VanDerWaalsContact O-CG1 3.28Å; F407-I411 WeakPolarHBondContact O-CG1 3.46Å; F407-I411 PolarHBondContact O-N 2.96Å; L408-I411 PolarHBondContact O-N 3Å; Q409-I411 VanDerWaalsContact C-N 3.34Å; I411-V414 PolarHBondContact O-N 3.47Å; I411-L415 HydrophobicContact CG2-CD1 3.88Å; I411-L415 HydrophobicContact CG2-CG 4.12Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 WeakPolarHBondContact O-CG 3.49Å; I411-L415 PolarHBondContact O-N 3.34Å; I411-V436 HydrophobicContact CG2-CG2 4.29Å
412L94.6Very high89.9Confident0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-62.8-44.5177.6-70.4169.5000111.8L408 Q409 V414 L415 F416 L433 V436 L452 Y455 F500L408-L412 HydrophobicContact CD1-CD1 3.89Å; L408-L412 HydrophobicContact CD1-CG 4.13Å; L408-L412 HydrophobicContact CG-CD1 4.1Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.49Å; L408-L412 PolarHBondContact O-N 3.34Å; Q409-L412 PolarHBondContact O-N 3.01Å; L412-V414 VanDerWaalsContact C-N 3.31Å; L412-V414 PolarHBondContact O-N 3.1Å; L412-L415 PolarHBondContact O-N 3.2Å; L412-F416 HydrophobicContact CD2-CE2 4.32Å; L412-F416 WeakPolarHBondContact O-CD2 3.47Å; L412-F416 PolarHBondContact O-N 2.96Å; L412-L433 HydrophobicContact CD2-CD1 3.59Å; L412-V436 HydrophobicContact CD2-CG1 4.37Å; L412-L452 HydrophobicContact CD1-CD1 3.68Å; L412-Y455 HydrophobicContact CB-CD1 4.4Å; L412-Y455 HydrophobicContact CB-CE1 3.67Å; L412-Y455 HydrophobicContact CB-CE2 4.14Å; L412-Y455 HydrophobicContact CD1-CD1 3.64Å; L412-Y455 HydrophobicContact CD1-CE1 3.73Å; L412-Y455 HydrophobicContact CD1-CG 4.07Å; L412-Y455 HydrophobicContact CG-CE1 4.28Å; L412-F500 HydrophobicContact CD1-CZ 4.31Å; L412-F500 HydrophobicContact CD2-CZ 4.29Å
413D92.6Very high90.1Very high37 Ų3728.3 Ų28.320%0.19816%0.159CC..Hα-helixtrans-57.5-46.1176-83.2-26.1000110.2R168 Q409 D410 T417 Y455R168-D413 IonicContact CZ-OD2 3.33Å; R168-D413 IonicContact NH1-OD2 2.88Å; R168-D413 PolarHBondContact NH1-OD2 3.48Å; R168-D413 VanDerWaalsContact NH1-OD2 3.12Å; R168-D413 IonicContact NH2-OD2 2.81Å; R168-D413 PolarHBondContact NH2-OD2 3.05Å; Q409-D413 PolarHBondContact O-N 3.18Å; D410-D413 PolarHBondContact O-N 3.48Å; D413-T417 WeakPolarHBondContact O-CB 3.43Å; D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 PolarHBondContact O-OG1 3.37Å; D413-Y455 PolarHBondContact N-OH 3.39Å; D413-Y455 PolarHBondContact OD1-OH 3.41Å
414V92.7Very high90.3Very high17 Ų1733.4 Ų33.410%0.10319%0.187CC..Hα-helixtrans-64.1-47.8176.3168.40000111.8L375 L376 W378 D410 I411 L412 F416 T417 V418L375-V414 HydrophobicContact CD1-CG1 3.81Å; L375-V414 HydrophobicContact CG-CG1 3.95Å; L375-V414 WeakPolarHBondContact O-CG1 3.47Å; L376-V414 HydrophobicContact CD2-CG2 4.27Å; W378-V414 HydrophobicContact CG-CG1 4.39Å; D410-V414 WeakPolarHBondContact O-CB 3.41Å; D410-V414 VanDerWaalsContact O-CG2 3.25Å; D410-V414 WeakPolarHBondContact O-CG2 3.39Å; D410-V414 PolarHBondContact O-N 2.91Å; I411-V414 PolarHBondContact O-N 3.47Å; L412-V414 VanDerWaalsContact C-N 3.31Å; L412-V414 PolarHBondContact O-N 3.1Å; V414-F416 PolarHBondContact O-N 2.82Å; V414-T417 PolarHBondContact O-N 2.88Å; V414-V418 HydrophobicContact CG1-CG2 4.17Å; V414-V418 WeakPolarHBondContact O-CB 3.48Å; V414-V418 VanDerWaalsContact O-CG2 3.3Å; V414-V418 WeakPolarHBondContact O-CG2 3.43Å; V414-V418 PolarHBondContact O-N 3.19Å
415L95.5Very high90.4Very high1 Ų135.8 Ų35.81%0.00520%0.196CC..Hα-helixtrans-57.9-49-180-73.5178.3000110.7L389 I411 L412 T417 V418 L419 V429 A432 V436L389-L415 HydrophobicContact CD2-CD2 3.62Å; I411-L415 HydrophobicContact CG2-CD1 3.88Å; I411-L415 HydrophobicContact CG2-CG 4.12Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 WeakPolarHBondContact O-CG 3.49Å; I411-L415 PolarHBondContact O-N 3.34Å; L412-L415 PolarHBondContact O-N 3.2Å; L415-T417 PolarHBondContact O-N 2.69Å; L415-V418 PolarHBondContact O-N 3Å; L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 PolarHBondContact O-N 3.07Å; L415-V429 HydrophobicContact CB-CG1 4.04Å; L415-V429 HydrophobicContact CD2-CG1 4.16Å; L415-V429 VanDerWaalsContact O-CG1 3.29Å; L415-V429 WeakPolarHBondContact O-CG1 3.38Å; L415-A432 HydrophobicContact CD1-CB 4.19Å; L415-A432 HydrophobicContact CD2-CB 3.72Å; L415-V436 HydrophobicContact CD1-CG2 4.46Å
416F96.3Very high90.8Very high8 Ų836.7 Ų36.74%0.03520%0.201CC..Hα-helixtrans-69.4-32.8178.5-75.5-65.6000113.1L412 V414 L419 I420 L433 F460 A462 A465 L469 F500L412-F416 HydrophobicContact CD2-CE2 4.32Å; L412-F416 WeakPolarHBondContact O-CD2 3.47Å; L412-F416 PolarHBondContact O-N 2.96Å; V414-F416 PolarHBondContact O-N 2.82Å; F416-L419 HydrophobicContact CD1-CD2 4.09Å; F416-L419 HydrophobicContact CE1-CD2 4.39Å; F416-L419 PolarHBondContact O-N 3.36Å; F416-I420 WeakPolarHBondContact O-CG1 3.42Å; F416-I420 PolarHBondContact O-N 3.03Å; F416-I420 VanDerWaalsContact O-N 3.07Å; F416-L433 HydrophobicContact CE1-CD2 4.23Å; F416-L433 HydrophobicContact CE2-CD1 4.22Å; F416-L433 HydrophobicContact CZ-CD1 4.08Å; F416-L433 HydrophobicContact CZ-CD2 3.86Å; F416-F460 AromaticContact CD1-CE2 3.8Å; F416-F460 HydrophobicContact CD1-CE2 3.8Å; F416-F460 HydrophobicContact CD1-CZ 4.45Å; F416-F460 AromaticContact CD2-CD2 3.91Å; F416-F460 HydrophobicContact CD2-CD2 3.91Å; F416-F460 AromaticContact CD2-CE2 3.57Å; F416-F460 HydrophobicContact CD2-CE2 3.57Å; F416-F460 AromaticContact CE1-CE2 3.7Å; F416-F460 HydrophobicContact CE1-CE2 3.7Å; F416-F460 HydrophobicContact CE1-CZ 4.19Å; F416-F460 AromaticContact CE2-CD2 3.86Å; F416-F460 HydrophobicContact CE2-CD2 3.86Å; F416-F460 AromaticContact CE2-CE2 3.47Å; F416-F460 HydrophobicContact CE2-CE2 3.47Å; F416-F460 VanDerWaalsContact CE2-CE2 3.47Å; F416-F460 HydrophobicContact CG-CD2 4.43Å; F416-F460 AromaticContact CG-CE2 3.75Å; F416-F460 HydrophobicContact CG-CE2 3.75Å; F416-F460 HydrophobicContact CZ-CD2 4.33Å; F416-F460 AromaticContact CZ-CE2 3.54Å; F416-F460 HydrophobicContact CZ-CE2 3.54Å; F416-F460 HydrophobicContact CZ-CZ 4.25Å; F416-A462 HydrophobicContact CB-CB 3.85Å; F416-A462 HydrophobicContact CD1-CB 4.06Å; F416-A462 HydrophobicContact CG-CB 4.07Å; F416-A465 HydrophobicContact CD1-CB 3.88Å; F416-A465 HydrophobicContact CE1-CB 3.93Å; F416-L469 HydrophobicContact CE1-CD1 4.14Å; F416-F500 AromaticContact CE2-CD1 3.81Å; F416-F500 HydrophobicContact CE2-CD1 3.81Å; F416-F500 AromaticContact CE2-CE1 3.66Å; F416-F500 HydrophobicContact CE2-CE1 3.66Å; F416-F500 HydrophobicContact CE2-CG 4.42Å; F416-F500 HydrophobicContact CE2-CZ 4.12Å; F416-F500 HydrophobicContact CZ-CB 4.38Å; F416-F500 AromaticContact CZ-CD1 3.59Å; F416-F500 HydrophobicContact CZ-CD1 3.59Å; F416-F500 HydrophobicContact CZ-CD2 4.37Å; F416-F500 AromaticContact CZ-CE1 3.94Å; F416-F500 HydrophobicContact CZ-CE1 3.94Å; F416-F500 AromaticContact CZ-CG 3.86Å; F416-F500 HydrophobicContact CZ-CG 3.86Å; F416-F500 HydrophobicContact CZ-CZ 4.44Å
417T93.2Very high91.1Very high61 Ų6139 Ų3937%0.37421%0.214SC..Hα-helixtrans-65.7-45.8174.1-59.80000111.1W378 D413 V414 L415 I420 S421W378-T417 HydrophobicContact CZ2-CG2 3.99Å; D413-T417 WeakPolarHBondContact O-CB 3.43Å; D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 PolarHBondContact O-OG1 3.37Å; V414-T417 PolarHBondContact O-N 2.88Å; L415-T417 PolarHBondContact O-N 2.69Å; T417-I420 PolarHBondContact O-N 2.75Å; T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.49Å; T417-S421 PolarHBondContact O-N 2.86Å; T417-S421 PolarHBondContact O-OG 2.98Å
418V92.4Very high91.3Very high1 Ų140.7 Ų40.71%0.00622%0.223CC..Hα-helixtrans-62.8-43.6175.2173.70000110.7W378 L385 V414 L415 I420 S421 S422 Y425 V429W378-V418 HydrophobicContact CD2-CG2 3.73Å; W378-V418 HydrophobicContact CE3-CG2 4.1Å; W378-V418 HydrophobicContact CG-CG2 4.12Å; W378-V418 HydrophobicContact CH2-CG2 4.42Å; W378-V418 HydrophobicContact CZ2-CG2 4.1Å; W378-V418 HydrophobicContact CZ3-CG2 4.42Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L385-V418 HydrophobicContact CD2-CG2 4.25Å; V414-V418 HydrophobicContact CG1-CG2 4.17Å; V414-V418 WeakPolarHBondContact O-CB 3.48Å; V414-V418 VanDerWaalsContact O-CG2 3.3Å; V414-V418 WeakPolarHBondContact O-CG2 3.43Å; V414-V418 PolarHBondContact O-N 3.19Å; L415-V418 PolarHBondContact O-N 3Å; V418-I420 PolarHBondContact O-N 3.21Å; V418-S421 PolarHBondContact O-N 3.39Å; V418-S421 VanDerWaalsContact O-N 3.15Å; V418-S422 PolarHBondContact O-N 3.47Å; V418-S422 VanDerWaalsContact O-N 3.17Å; V418-Y425 HydrophobicContact CG1-CD2 4.32Å; V418-Y425 HydrophobicContact CG1-CG 4.46Å; V418-V429 HydrophobicContact CB-CG2 4.21Å; V418-V429 HydrophobicContact CG1-CG2 3.71Å
419L93.9Very high91.5Very high1 Ų140.7 Ų40.71%0.00522%0.223CC..Hα-helixtrans-56.2-38.2176.5-170.164.3000111.8L415 F416 D426 V429 A465 K468 L469L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 PolarHBondContact O-N 3.07Å; F416-L419 HydrophobicContact CD1-CD2 4.09Å; F416-L419 HydrophobicContact CE1-CD2 4.39Å; F416-L419 PolarHBondContact O-N 3.36Å; L419-D426 HydrophobicContact CD1-CB 4.41Å; L419-V429 HydrophobicContact CB-CG1 3.95Å; L419-V429 HydrophobicContact CD1-CB 4.32Å; L419-V429 HydrophobicContact CD1-CG1 4.12Å; L419-V429 HydrophobicContact CG-CG1 4.48Å; L419-A465 HydrophobicContact CD2-CB 4.36Å; L419-K468 HydrophobicContact CD1-CB 4.22Å; L419-K468 HydrophobicContact CD1-CD 3.91Å; L419-K468 HydrophobicContact CD2-CB 4.44Å; L419-K468 HydrophobicContact CG-CB 4.36Å; L419-K468 HydrophobicContact CG-CD 3.87Å; L419-K468 VanDerWaalsContact O-CD 3.28Å; L419-K468 WeakPolarHBondContact O-CD 3.28Å; L419-K468 VanDerWaalsContact O-CE 3.3Å; L419-K468 WeakPolarHBondContact O-CE 3.37Å; L419-K468 PolarHBondContact O-NZ 3.41Å; L419-L469 HydrophobicContact CD2-CD2 4Å; L419-L469 HydrophobicContact CD2-CG 4.33Å
420I90.5Very high91.8Very high87 Ų8740 Ų4045%0.44622%0.219SC..Hα-helixtrans-81.3-33.3179.3-67.7168.1000111.6F416 T417 V418 A462F416-I420 WeakPolarHBondContact O-CG1 3.42Å; F416-I420 PolarHBondContact O-N 3.03Å; F416-I420 VanDerWaalsContact O-N 3.07Å; T417-I420 PolarHBondContact O-N 2.75Å; V418-I420 PolarHBondContact O-N 3.21Å; I420-A462 HydrophobicContact CD1-CB 3.73Å
421S88Confident92.1Very high77 Ų7738.9 Ų38.954%0.53821%0.214SC..Hα-helixtrans-79-32.3-170.1-600000114.6T417 V418T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.49Å; T417-S421 PolarHBondContact O-N 2.86Å; T417-S421 PolarHBondContact O-OG 2.98Å; V418-S421 PolarHBondContact O-N 3.39Å; V418-S421 VanDerWaalsContact O-N 3.15Å
422S83.5Confident92.2Very high33 Ų3338.9 Ų38.923%0.23121%0.214CC..  trans-143.3147.7-179.3176.60000111.2V418 D424 D426 K468V418-S422 PolarHBondContact O-N 3.47Å; V418-S422 VanDerWaalsContact O-N 3.17Å; S422-D424 PolarHBondContact OG-N 3.38Å; S422-D424 VanDerWaalsContact OG-N 3.1Å; S422-D424 PolarHBondContact OG-OD2 2.91Å; S422-D426 VanDerWaalsContact O-OD1 3.1Å; S422-K468 PolarHBondContact O-NZ 3.5Å
423N86.2Confident92.2Very high117 Ų11739 Ų3963%0.62621%0.214SC*.SBendtrans-88-14.7173.5-60.8-21.2000112.4Y425 D426 K468N423-Y425 PolarHBondContact O-N 2.79Å; N423-D426 PolarHBondContact O-N 3.37Å; N423-K468 WeakPolarHBondContact OD1-CE 3.12Å; N423-K468 PolarHBondContact OD1-NZ 3Å
424D87.3Confident92.3Very high138 Ų13837.6 Ų37.674%0.73821%0.207SC*.THydrogen-bonded Turntrans-68.9-21.3-173-60.1-37.8000113S422S422-D424 PolarHBondContact OG-N 3.38Å; S422-D424 VanDerWaalsContact OG-N 3.1Å; S422-D424 PolarHBondContact OG-OD2 2.91Å
425Y90.3Very high92.4Very high61 Ų6138.9 Ų38.924%0.23921%0.21CC..THydrogen-bonded Turntrans-112.13.3-175-55.3-74.7000113.7L385 K386 L389 V418 N423 L427 L428 V429L385-Y425 HydrophobicContact CD2-CD2 4.08Å; L385-Y425 HydrophobicContact CD2-CE1 4.46Å; L385-Y425 HydrophobicContact CD2-CE2 3.95Å; L385-Y425 HydrophobicContact CD2-CG 4.39Å; K386-Y425 HydrophobicContact CB-CE1 4.29Å; L389-Y425 HydrophobicContact CD1-CD1 4.43Å; V418-Y425 HydrophobicContact CG1-CD2 4.32Å; V418-Y425 HydrophobicContact CG1-CG 4.46Å; N423-Y425 PolarHBondContact O-N 2.79Å; Y425-L427 VanDerWaalsContact C-N 3.26Å; Y425-L427 PolarHBondContact O-N 2.95Å; Y425-L427 VanDerWaalsContact O-N 3.14Å; Y425-L428 HydrophobicContact CD1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.31Å; Y425-V429 WeakPolarHBondContact O-CG2 3.47Å; Y425-V429 PolarHBondContact O-N 2.96Å
426D93.7Very high92.3Very high27 Ų2738.9 Ų38.914%0.14421%0.21CC..Hα-helixtrans-50.2-45.7-172.3-79.8-2.7000112.8L419 S422 N423 F430 K468 L472L419-D426 HydrophobicContact CD1-CB 4.41Å; S422-D426 VanDerWaalsContact O-OD1 3.1Å; N423-D426 PolarHBondContact O-N 3.37Å; D426-F430 WeakPolarHBondContact O-CB 3.47Å; D426-F430 PolarHBondContact O-N 3.48Å; D426-K468 VanDerWaalsContact CG-NZ 3.25Å; D426-K468 IonicContact OD1-NZ 3Å; D426-K468 PolarHBondContact OD1-NZ 2.84Å; D426-K468 WeakPolarHBondContact OD2-CE 3.32Å; D426-K468 IonicContact OD2-NZ 2.62Å; D426-K468 PolarHBondContact OD2-NZ 3.01Å; D426-L472 HydrophobicContact CB-CD1 4.11Å; D426-L472 HydrophobicContact CB-CD2 4.46Å
427L92.1Very high92.2Very high74 Ų7438.8 Ų38.839%0.38721%0.21SC..Hα-helixtrans-66.6-43.5-179.1-162.669.9000112.8Y425 F430 D431 L472Y425-L427 VanDerWaalsContact C-N 3.26Å; Y425-L427 PolarHBondContact O-N 2.95Å; Y425-L427 VanDerWaalsContact O-N 3.14Å; L427-F430 PolarHBondContact O-N 3.24Å; L427-D431 PolarHBondContact O-N 2.77Å; L427-L472 HydrophobicContact CD1-CD2 4.02Å
428L92.4Very high92.1Very high38 Ų3837.6 Ų37.620%0.19921%0.21CC..Hα-helixtrans-68.7-38.8-179.8-72.2170.2000111.2K386 L389 E390 M393 Y425 D431 A432K386-L428 HydrophobicContact CG-CD1 3.9Å; L389-L428 HydrophobicContact CB-CB 4.45Å; L389-L428 HydrophobicContact CD1-CB 3.99Å; E390-L428 HydrophobicContact CG-CD2 4.27Å; M393-L428 HydrophobicContact CE-CD2 4.46Å; Y425-L428 HydrophobicContact CD1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.31Å; L428-D431 PolarHBondContact O-N 3.1Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.48Å
429V95.3Very high91.9Very high3 Ų337.7 Ų37.72%0.01821%0.21CC..Hα-helixtrans-66.5-40.2176173.10000111.1L389 L415 V418 L419 Y425 A432 L433L389-V429 HydrophobicContact CD1-CG2 4.19Å; L415-V429 HydrophobicContact CB-CG1 4.04Å; L415-V429 HydrophobicContact CD2-CG1 4.16Å; L415-V429 VanDerWaalsContact O-CG1 3.29Å; L415-V429 WeakPolarHBondContact O-CG1 3.38Å; V418-V429 HydrophobicContact CB-CG2 4.21Å; V418-V429 HydrophobicContact CG1-CG2 3.71Å; L419-V429 HydrophobicContact CB-CG1 3.95Å; L419-V429 HydrophobicContact CD1-CB 4.32Å; L419-V429 HydrophobicContact CD1-CG1 4.12Å; L419-V429 HydrophobicContact CG-CG1 4.48Å; Y425-V429 WeakPolarHBondContact O-CG2 3.47Å; Y425-V429 PolarHBondContact O-N 2.96Å; V429-A432 PolarHBondContact O-N 3.12Å; V429-L433 WeakPolarHBondContact O-CB 3.44Å; V429-L433 PolarHBondContact O-N 3.27Å
430F96Very high91.8Very high1 Ų137.8 Ų37.80%0.00421%0.211CC..Hα-helixtrans-61.7-45.4174.4-177.3-93.2000111.8D426 L427 A432 L433 V434 L469 L472 F473 T490 L497D426-F430 WeakPolarHBondContact O-CB 3.47Å; D426-F430 PolarHBondContact O-N 3.48Å; L427-F430 PolarHBondContact O-N 3.24Å; F430-A432 PolarHBondContact O-N 3.27Å; F430-L433 PolarHBondContact O-N 3.23Å; F430-V434 HydrophobicContact CD1-CG2 4.2Å; F430-V434 HydrophobicContact CE1-CG2 3.87Å; F430-V434 HydrophobicContact CZ-CG2 4.21Å; F430-V434 WeakPolarHBondContact O-CG2 3.42Å; F430-V434 PolarHBondContact O-N 2.82Å; F430-L469 HydrophobicContact CD2-CD2 3.83Å; F430-L469 HydrophobicContact CE2-CD2 4.33Å; F430-L472 HydrophobicContact CB-CB 4.47Å; F430-L472 HydrophobicContact CB-CD1 3.95Å; F430-L472 HydrophobicContact CD2-CB 3.8Å; F430-L472 HydrophobicContact CD2-CD1 4.24Å; F430-L472 HydrophobicContact CE2-CB 4.13Å; F430-L472 HydrophobicContact CG-CB 4.02Å; F430-L472 HydrophobicContact CG-CD1 4.33Å; F430-F473 HydrophobicContact CE2-CB 4.11Å; F430-F473 HydrophobicContact CZ-CB 3.84Å; F430-F473 HydrophobicContact CZ-CG 4.29Å; F430-T490 HydrophobicContact CE1-CG2 3.77Å; F430-T490 HydrophobicContact CZ-CG2 3.59Å; F430-L497 HydrophobicContact CE2-CD2 4.42Å; F430-L497 HydrophobicContact CZ-CD1 4.33Å
431D94.4Very high91.6Very high35 Ų3536 Ų3619%0.18721%0.213CC..Hα-helixtrans-64.4-39.6176.8-71.6-22.7000112.3M393 L427 L428 V434 Y435 R486M393-D431 HydrophobicContact CE-CB 4.32Å; M393-D431 VanDerWaalsContact SD-C 3.53Å; M393-D431 HydrophobicContact SD-CB 3.69Å; L427-D431 PolarHBondContact O-N 2.77Å; L428-D431 PolarHBondContact O-N 3.1Å; D431-V434 PolarHBondContact O-N 3.5Å; D431-Y435 WeakPolarHBondContact O-CB 3.36Å; D431-Y435 PolarHBondContact O-N 3.18Å; D431-R486 IonicContact OD1-CZ 3.43Å; D431-R486 IonicContact OD1-NE 2.97Å; D431-R486 PolarHBondContact OD1-NE 3.45Å; D431-R486 IonicContact OD1-NH2 3.75Å; D431-R486 PolarHBondContact OD1-NH2 3.35Å; D431-R486 IonicContact OD2-CZ 3.73Å; D431-R486 IonicContact OD2-NE 3.67Å; D431-R486 PolarHBondContact OD2-NE 2.98Å; D431-R486 IonicContact OD2-NH2 3.55Å; D431-R486 PolarHBondContact OD2-NH2 3.03Å
432A94.5Very high91.5Very high0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-62-42173.600000111.7L389 L392 M393 L415 L428 V429 F430 Y435 V436L389-A432 HydrophobicContact CD2-CB 4.25Å; L392-A432 HydrophobicContact CD2-CB 4.07Å; M393-A432 HydrophobicContact SD-CB 4.39Å; L415-A432 HydrophobicContact CD1-CB 4.19Å; L415-A432 HydrophobicContact CD2-CB 3.72Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.48Å; V429-A432 PolarHBondContact O-N 3.12Å; F430-A432 PolarHBondContact O-N 3.27Å; A432-Y435 WeakPolarHBondContact O-CB 3.42Å; A432-Y435 PolarHBondContact O-N 2.79Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.42Å; A432-V436 PolarHBondContact O-N 2.74Å
433L95.9Very high91.4Very high3 Ų345.7 Ų45.72%0.01624%0.236CC..Hα-helixtrans-64.1-44.7176.4-176.765000111.5L412 F416 V429 F430 Y435 V436 I437 L469 L497 F500L412-L433 HydrophobicContact CD2-CD1 3.59Å; F416-L433 HydrophobicContact CE1-CD2 4.23Å; F416-L433 HydrophobicContact CE2-CD1 4.22Å; F416-L433 HydrophobicContact CZ-CD1 4.08Å; F416-L433 HydrophobicContact CZ-CD2 3.86Å; V429-L433 WeakPolarHBondContact O-CB 3.44Å; V429-L433 PolarHBondContact O-N 3.27Å; F430-L433 PolarHBondContact O-N 3.23Å; L433-Y435 VanDerWaalsContact C-N 3.29Å; L433-Y435 PolarHBondContact O-N 3.33Å; L433-V436 PolarHBondContact O-N 3.34Å; L433-I437 HydrophobicContact CD1-CD1 4.23Å; L433-I437 HydrophobicContact CG-CD1 4Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.44Å; L433-I437 PolarHBondContact O-N 3.32Å; L433-L469 HydrophobicContact CD2-CD1 4.39Å; L433-L469 HydrophobicContact CD2-CD2 3.91Å; L433-L497 HydrophobicContact CD2-CD2 3.81Å; L433-L497 HydrophobicContact CG-CD2 4.2Å; L433-F500 HydrophobicContact CD1-CE2 4.31Å
434V95.3Very high91Very high7 Ų744.4 Ų44.44%0.04222%0.223CC..Hα-helixtrans-59.6-42.4174.5169.60000110.8F430 D431 G438 R489 T490 A493 L497F430-V434 HydrophobicContact CD1-CG2 4.2Å; F430-V434 HydrophobicContact CE1-CG2 3.87Å; F430-V434 HydrophobicContact CZ-CG2 4.21Å; F430-V434 WeakPolarHBondContact O-CG2 3.42Å; F430-V434 PolarHBondContact O-N 2.82Å; D431-V434 PolarHBondContact O-N 3.5Å; V434-G438 PolarHBondContact O-N 3.4Å; V434-R489 HydrophobicContact CG1-CB 3.83Å; V434-T490 HydrophobicContact CG2-CG2 4.12Å; V434-A493 HydrophobicContact CG1-CB 4.26Å; V434-L497 HydrophobicContact CG2-CD1 4.12Å
435Y93.2Very high90.8Very high44 Ų4438.5 Ų38.517%0.17319%0.19CC..Hα-helixtrans-62.7-49.2177.3170.7-93.1000111.8L392 M393 D395 D431 A432 L433 I437 G438 L439L392-Y435 WeakPolarHBondContact O-CE1 3.36Å; M393-Y435 HydrophobicContact CB-CD2 4.4Å; M393-Y435 HydrophobicContact CB-CG 4.32Å; M393-Y435 HydrophobicContact CG-CD1 4.29Å; M393-Y435 HydrophobicContact CG-CG 4.02Å; D395-Y435 WeakPolarHBondContact CB-OH 3.06Å; D395-Y435 VanDerWaalsContact CG-OH 3.25Å; D395-Y435 PolarHBondContact OD2-OH 3.43Å; D431-Y435 WeakPolarHBondContact O-CB 3.36Å; D431-Y435 PolarHBondContact O-N 3.18Å; A432-Y435 WeakPolarHBondContact O-CB 3.42Å; A432-Y435 PolarHBondContact O-N 2.79Å; L433-Y435 VanDerWaalsContact C-N 3.29Å; L433-Y435 PolarHBondContact O-N 3.33Å; Y435-I437 PolarHBondContact O-N 3.37Å; Y435-G438 PolarHBondContact O-N 3.34Å; Y435-G438 VanDerWaalsContact O-N 3.14Å; Y435-L439 WeakPolarHBondContact O-CB 3.41Å; Y435-L439 PolarHBondContact O-N 2.91Å
436V93.5Very high90.4Very high1 Ų140.4 Ų40.41%0.00620%0.201CC..Hα-helixtrans-60.7-44.3178.8170.50000111.5L392 V404 L408 I411 L412 L415 A432 L433 G438 L439 I440L392-V436 HydrophobicContact CD2-CG2 4.49Å; V404-V436 HydrophobicContact CG1-CG2 3.95Å; L408-V436 HydrophobicContact CD1-CG1 3.3Å; I411-V436 HydrophobicContact CG2-CG2 4.29Å; L412-V436 HydrophobicContact CD2-CG1 4.37Å; L415-V436 HydrophobicContact CD1-CG2 4.46Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.42Å; A432-V436 PolarHBondContact O-N 2.74Å; L433-V436 PolarHBondContact O-N 3.34Å; V436-G438 VanDerWaalsContact C-N 3.34Å; V436-L439 WeakPolarHBondContact O-CB 3.36Å; V436-L439 PolarHBondContact O-N 2.9Å; V436-I440 HydrophobicContact CG1-CD1 4.19Å; V436-I440 WeakPolarHBondContact O-CG1 3.3Å; V436-I440 PolarHBondContact O-N 3.33Å; V436-I440 VanDerWaalsContact O-N 3.15Å
437I94Very high89.8Confident6 Ų642.3 Ų42.33%0.03121%0.211CC..Hα-helixtrans-62.9-43.6175.2-67.7166.9000110.5L433 Y435 L439 I440 G441 A493 Y496 L497 F500L433-I437 HydrophobicContact CD1-CD1 4.23Å; L433-I437 HydrophobicContact CG-CD1 4Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.44Å; L433-I437 PolarHBondContact O-N 3.32Å; Y435-I437 PolarHBondContact O-N 3.37Å; I437-L439 VanDerWaalsContact C-N 3.31Å; I437-L439 PolarHBondContact O-N 2.92Å; I437-I440 PolarHBondContact O-N 3.39Å; I437-G441 PolarHBondContact O-N 2.75Å; I437-A493 HydrophobicContact CB-CB 3.97Å; I437-A493 HydrophobicContact CD1-CB 4.4Å; I437-A493 HydrophobicContact CG2-CB 3.56Å; I437-Y496 HydrophobicContact CG2-CD2 4.07Å; I437-Y496 HydrophobicContact CG2-CG 4.27Å; I437-L497 HydrophobicContact CD1-CD2 3.87Å; I437-L497 HydrophobicContact CD1-CG 3.99Å; I437-F500 HydrophobicContact CD1-CD2 4.37Å; I437-F500 HydrophobicContact CD1-CE2 4.38Å
438G91.2Very high89.6Confident36 Ų3639.4 Ų39.437%0.37120%0.196SC..Hα-helixtrans-59.6-41.4177.200000112.6V434 Y435 V436 G441 E442V434-G438 PolarHBondContact O-N 3.4Å; Y435-G438 PolarHBondContact O-N 3.34Å; Y435-G438 VanDerWaalsContact O-N 3.14Å; V436-G438 VanDerWaalsContact C-N 3.34Å; G438-G441 WeakPolarHBondContact O-CA 3.3Å; G438-G441 PolarHBondContact O-N 3.16Å; G438-G441 VanDerWaalsContact O-N 3.15Å; G438-E442 PolarHBondContact O-N 3.42Å
439L89.7Confident89.4Confident3 Ų340.4 Ų40.42%0.01620%0.198CC..Hα-helixtrans-61.5-45.7177-175.571000111.7V404 V405 Y435 V436 I437 G441 E442 Y445V404-L439 HydrophobicContact CB-CD2 3.83Å; V404-L439 HydrophobicContact CG1-CD2 3.82Å; V405-L439 HydrophobicContact CG1-CD2 4.04Å; Y435-L439 WeakPolarHBondContact O-CB 3.41Å; Y435-L439 PolarHBondContact O-N 2.91Å; V436-L439 WeakPolarHBondContact O-CB 3.36Å; V436-L439 PolarHBondContact O-N 2.9Å; I437-L439 VanDerWaalsContact C-N 3.31Å; I437-L439 PolarHBondContact O-N 2.92Å; L439-G441 PolarHBondContact O-N 3.15Å; L439-E442 VanDerWaalsContact O-CB 3.31Å; L439-E442 WeakPolarHBondContact O-CB 3.46Å; L439-E442 PolarHBondContact O-N 2.87Å; L439-E442 VanDerWaalsContact O-N 3.08Å; L439-Y445 HydrophobicContact CD1-CD2 3.87Å; L439-Y445 HydrophobicContact CD1-CE2 3.62Å; L439-Y445 HydrophobicContact CG-CD2 3.87Å; L439-Y445 HydrophobicContact CG-CE2 4Å; L439-Y445 WeakPolarHBondContact O-CD2 3.02Å
440I90.1Very high89Confident2 Ų242.9 Ų42.91%0.0122%0.216CC..Hα-helixtrans-66.1-27.9176.2-64.1162.6000111.5L408 V436 I437 E442 F448 K449 L452L408-I440 HydrophobicContact CD1-CD1 3.69Å; L408-I440 HydrophobicContact CD2-CD1 3.54Å; L408-I440 HydrophobicContact CD2-CG1 4.31Å; L408-I440 HydrophobicContact CG-CD1 4.27Å; V436-I440 HydrophobicContact CG1-CD1 4.19Å; V436-I440 WeakPolarHBondContact O-CG1 3.3Å; V436-I440 PolarHBondContact O-N 3.33Å; V436-I440 VanDerWaalsContact O-N 3.15Å; I437-I440 PolarHBondContact O-N 3.39Å; I440-E442 PolarHBondContact O-N 2.93Å; I440-F448 HydrophobicContact CG1-CB 4.39Å; I440-F448 HydrophobicContact CG2-CB 4.2Å; I440-K449 HydrophobicContact CG2-CB 4.46Å; I440-K449 HydrophobicContact CG2-CG 3.78Å; I440-L452 HydrophobicContact CD1-CB 4.32Å; I440-L452 HydrophobicContact CD1-CD1 4.39Å; I440-L452 HydrophobicContact CD1-CD2 3.84Å; I440-L452 HydrophobicContact CD1-CG 4.43Å
441G87Confident88.5Confident49 Ų4943.2 Ų43.251%0.50522%0.218SC..THydrogen-bonded Turntrans-67.5-17.3173.200000114.3I437 G438 L439I437-G441 PolarHBondContact O-N 2.75Å; G438-G441 WeakPolarHBondContact O-CA 3.3Å; G438-G441 PolarHBondContact O-N 3.16Å; G438-G441 VanDerWaalsContact O-N 3.15Å; L439-G441 PolarHBondContact O-N 3.15Å
442E86.2Confident88.4Confident75 Ų7541.5 Ų41.535%0.3521%0.209SC..SBendtrans-71.2147.1177.4-62.7-173-175.700112.2G438 L439 I440 R444 Y445 H446G438-E442 PolarHBondContact O-N 3.42Å; L439-E442 VanDerWaalsContact O-CB 3.31Å; L439-E442 WeakPolarHBondContact O-CB 3.46Å; L439-E442 PolarHBondContact O-N 2.87Å; L439-E442 VanDerWaalsContact O-N 3.08Å; I440-E442 PolarHBondContact O-N 2.93Å; E442-R444 PolarHBondContact O-N 3.31Å; E442-R444 VanDerWaalsContact O-N 3.07Å; E442-R444 IonicContact OE2-CZ 3.92Å; E442-R444 IonicContact OE2-NE 3.83Å; E442-R444 PolarHBondContact OE2-NE 3.37Å; E442-R444 IonicContact OE2-NH2 3.91Å; E442-R444 PolarHBondContact OE2-NH2 2.88Å; E442-Y445 CarbonylContact O-C 3.1Å; E442-Y445 PolarHBondContact O-N 3.46Å; E442-H446 PolarHBondContact O-N 3.48Å; E442-H446 VanDerWaalsContact O-N 3.11Å
443R80.4Confident88.3Confident239 Ų23944.4 Ų44.490%0.90223%0.225SC*.G310 helixtrans-53.9-34.2178.2-172.5-178.8-76.7-169.7-4.5112.4Y445R443-Y445 PolarHBondContact O-N 3.29Å
444R77.5Confident87.9Confident90 Ų9048 Ų4834%0.3424%0.244SC..G310 helixtrans-65-23.6-179.2-65.6-174.8-65.8175.4-4.1114.2K15 D398 E442K15-R444 PolarHBondContact NZ-O 3.47Å; D398-R444 PolarHBondContact O-NH1 3.26Å; E442-R444 PolarHBondContact O-N 3.31Å; E442-R444 VanDerWaalsContact O-N 3.07Å; E442-R444 IonicContact OE2-CZ 3.92Å; E442-R444 IonicContact OE2-NE 3.83Å; E442-R444 PolarHBondContact OE2-NE 3.37Å; E442-R444 IonicContact OE2-NH2 3.91Å; E442-R444 PolarHBondContact OE2-NH2 2.88Å
445Y83.9Confident87.8Confident14 Ų1447.8 Ų47.86%0.05524%0.242CC..G310 helixtrans-126.815.6-174.1-58.1-61.6000112.7A400 E402 V405 L439 E442 R443 N447 F448A400-Y445 PolarHBondContact O-OH 3.31Å; E402-Y445 PolarHBondContact N-OH 2.86Å; V405-Y445 HydrophobicContact CB-CD1 4.27Å; V405-Y445 HydrophobicContact CB-CE1 4.44Å; V405-Y445 HydrophobicContact CG1-CD1 3.65Å; V405-Y445 HydrophobicContact CG1-CD2 4.36Å; V405-Y445 HydrophobicContact CG1-CE1 3.98Å; V405-Y445 HydrophobicContact CG1-CG 3.86Å; V405-Y445 HydrophobicContact CG2-CD1 3.88Å; V405-Y445 HydrophobicContact CG2-CE1 3.65Å; L439-Y445 HydrophobicContact CD1-CD2 3.87Å; L439-Y445 HydrophobicContact CD1-CE2 3.62Å; L439-Y445 HydrophobicContact CG-CD2 3.87Å; L439-Y445 HydrophobicContact CG-CE2 4Å; L439-Y445 WeakPolarHBondContact O-CD2 3.02Å; E442-Y445 CarbonylContact O-C 3.1Å; E442-Y445 PolarHBondContact O-N 3.46Å; R443-Y445 PolarHBondContact O-N 3.29Å; Y445-N447 PolarHBondContact O-N 2.92Å; Y445-N447 VanDerWaalsContact O-N 3.07Å; Y445-F448 HydrophobicContact CD1-CD2 4.25Å; Y445-F448 HydrophobicContact CD1-CE2 4.28Å; Y445-F448 WeakPolarHBondContact O-CB 3.33Å; Y445-F448 PolarHBondContact O-N 3.45Å
446H81.4Confident87.8Confident101 Ų10146.2 Ų46.247%0.46824%0.237SC..G310 helixtrans-52.6-37.1-177-174.276000113E442 F448 K449E442-H446 PolarHBondContact O-N 3.48Å; E442-H446 VanDerWaalsContact O-N 3.11Å; H446-F448 PolarHBondContact O-N 2.94Å; H446-K449 VanDerWaalsContact O-CB 3.29Å; H446-K449 WeakPolarHBondContact O-CB 3.39Å; H446-K449 WeakPolarHBondContact O-CG 3.42Å; H446-K449 PolarHBondContact O-N 3.21Å; H446-K449 VanDerWaalsContact O-N 3.07Å
447N81.9Confident87.6Confident67 Ų6751 Ų5136%0.35826%0.259SS..G310 helixtrans-67.6-19.5-179.1-62.7-29.5000113.4E164 V165 Y445 K449 S450E164-N447 HydrophobicContact CG-CB 4.44Å; E164-N447 PolarHBondContact OE1-ND2 3.29Å; V165-N447 HydrophobicContact CG2-CB 3.48Å; V165-N447 VanDerWaalsContact CG2-CB 3.48Å; Y445-N447 PolarHBondContact O-N 2.92Å; Y445-N447 VanDerWaalsContact O-N 3.07Å; N447-K449 PolarHBondContact O-N 3.49Å; N447-S450 PolarHBondContact O-N 3.36Å; N447-S450 PolarHBondContact O-OG 3.48Å
448F87.2Confident87.4Confident14 Ų1457.8 Ų57.86%0.06129%0.285CS..G310 helixtrans-74.4-8.9173.2-74.3-96000113.5E164 V405 L408 I440 Y445 H446 S450 V451 L452E164-F448 WeakPolarHBondContact O-CE2 3.42Å; V405-F448 HydrophobicContact CB-CD1 3.96Å; V405-F448 HydrophobicContact CB-CD2 4.33Å; V405-F448 HydrophobicContact CB-CE1 3.74Å; V405-F448 HydrophobicContact CB-CE2 4.14Å; V405-F448 HydrophobicContact CB-CG 4.25Å; V405-F448 HydrophobicContact CB-CZ 3.84Å; V405-F448 HydrophobicContact CG1-CG 4.45Å; V405-F448 HydrophobicContact CG2-CE1 4.23Å; V405-F448 HydrophobicContact CG2-CE2 4.1Å; V405-F448 HydrophobicContact CG2-CZ 3.84Å; V405-F448 WeakPolarHBondContact O-CE1 3.36Å; L408-F448 HydrophobicContact CD2-CD1 4.41Å; I440-F448 HydrophobicContact CG1-CB 4.39Å; I440-F448 HydrophobicContact CG2-CB 4.2Å; Y445-F448 HydrophobicContact CD1-CD2 4.25Å; Y445-F448 HydrophobicContact CD1-CE2 4.28Å; Y445-F448 WeakPolarHBondContact O-CB 3.33Å; Y445-F448 PolarHBondContact O-N 3.45Å; H446-F448 PolarHBondContact O-N 2.94Å; F448-S450 PolarHBondContact O-N 3.32Å; F448-V451 HydrophobicContact CD1-CB 4.47Å; F448-V451 HydrophobicContact CD1-CG2 4.07Å; F448-V451 WeakPolarHBondContact O-CB 3.36Å; F448-V451 PolarHBondContact O-N 3.07Å; F448-L452 PolarHBondContact O-N 2.8Å
449K88.7Confident87.2Confident58 Ų5859.1 Ų59.125%0.25228%0.282SS..Hα-helixtrans-54.8-40.9169.4-76-172.6172.7-1640111.6I440 H446 N447 V451 L452 D453 Y496I440-K449 HydrophobicContact CG2-CB 4.46Å; I440-K449 HydrophobicContact CG2-CG 3.78Å; H446-K449 VanDerWaalsContact O-CB 3.29Å; H446-K449 WeakPolarHBondContact O-CB 3.39Å; H446-K449 WeakPolarHBondContact O-CG 3.42Å; H446-K449 PolarHBondContact O-N 3.21Å; H446-K449 VanDerWaalsContact O-N 3.07Å; N447-K449 PolarHBondContact O-N 3.49Å; K449-V451 VanDerWaalsContact C-N 3.3Å; K449-V451 PolarHBondContact O-N 3.17Å; K449-L452 WeakPolarHBondContact O-CB 3.24Å; K449-L452 PolarHBondContact O-N 3.08Å; K449-L452 VanDerWaalsContact O-N 3.15Å; K449-D453 PolarHBondContact O-N 3.5Å; K449-Y496 WeakPolarHBondContact CB-OH 3.33Å; K449-Y496 HydrophobicContact CG-CE2 4.49Å; K449-Y496 WeakPolarHBondContact CG-OH 3.47Å
450S86.4Confident87.5Confident55 Ų5559.3 Ų59.339%0.38528%0.283SS..Hα-helixtrans-61.1-36175.667.10000113N447 F448 N454N447-S450 PolarHBondContact O-N 3.36Å; N447-S450 PolarHBondContact O-OG 3.48Å; F448-S450 PolarHBondContact O-N 3.32Å; S450-N454 WeakPolarHBondContact O-CB 3.38Å; S450-N454 PolarHBondContact O-N 3.49Å; S450-N454 PolarHBondContact O-ND2 3.33Å
451V87Confident87.6Confident8 Ų863.5 Ų63.55%0.04831%0.312CS..Hα-helixtrans-69.3-41.7175.5-176.50000110.3V165 L408 Q409 F448 K449 N454 Y455V165-V451 HydrophobicContact CG1-CG2 3.13Å; L408-V451 HydrophobicContact CD2-CB 4.39Å; L408-V451 HydrophobicContact CD2-CG1 4.16Å; Q409-V451 HydrophobicContact CG-CG1 4.04Å; F448-V451 HydrophobicContact CD1-CB 4.47Å; F448-V451 HydrophobicContact CD1-CG2 4.07Å; F448-V451 WeakPolarHBondContact O-CB 3.36Å; F448-V451 PolarHBondContact O-N 3.07Å; K449-V451 VanDerWaalsContact C-N 3.3Å; K449-V451 PolarHBondContact O-N 3.17Å; V451-N454 PolarHBondContact O-N 3.43Å; V451-Y455 WeakPolarHBondContact O-CB 3.28Å; V451-Y455 PolarHBondContact O-N 3.1Å
452L90.9Very high87.9Confident0 Ų061.6 Ų61.60%029%0.291CS..Hα-helixtrans-64.7-42.8177.7-171.359000111.7L412 I440 F448 K449 Y455 L456 Y496 F500L412-L452 HydrophobicContact CD1-CD1 3.68Å; I440-L452 HydrophobicContact CD1-CB 4.32Å; I440-L452 HydrophobicContact CD1-CD1 4.39Å; I440-L452 HydrophobicContact CD1-CD2 3.84Å; I440-L452 HydrophobicContact CD1-CG 4.43Å; F448-L452 PolarHBondContact O-N 2.8Å; K449-L452 WeakPolarHBondContact O-CB 3.24Å; K449-L452 PolarHBondContact O-N 3.08Å; K449-L452 VanDerWaalsContact O-N 3.15Å; L452-Y455 PolarHBondContact O-N 3.03Å; L452-L456 HydrophobicContact CG-CD1 4.47Å; L452-L456 WeakPolarHBondContact O-CB 3.3Å; L452-L456 WeakPolarHBondContact O-CG 3.48Å; L452-L456 PolarHBondContact O-N 3.33Å; L452-Y496 HydrophobicContact CB-CE1 4.22Å; L452-Y496 HydrophobicContact CD2-CD1 3.26Å; L452-Y496 HydrophobicContact CD2-CD2 4.08Å; L452-Y496 HydrophobicContact CD2-CE1 3.5Å; L452-Y496 VanDerWaalsContact CD2-CE1 3.5Å; L452-Y496 HydrophobicContact CD2-CE2 4.29Å; L452-Y496 HydrophobicContact CD2-CG 3.57Å; L452-Y496 HydrophobicContact CG-CD1 3.73Å; L452-Y496 HydrophobicContact CG-CE1 3.8Å; L452-Y496 HydrophobicContact CG-CG 4.48Å; L452-F500 HydrophobicContact CD1-CE2 3.95Å; L452-F500 HydrophobicContact CD1-CZ 3.74Å
453D92.2Very high88.2Confident61 Ų6158.6 Ų58.633%0.32628%0.279SS..Hα-helixtrans-64.2-43.1174.6-73.1-38.4000111.4K449 Y455 L456 Q457 Y496 K499K449-D453 PolarHBondContact O-N 3.5Å; D453-Y455 PolarHBondContact O-N 3.04Å; D453-L456 WeakPolarHBondContact O-CB 3.39Å; D453-L456 PolarHBondContact O-N 3.43Å; D453-Q457 WeakPolarHBondContact O-CB 3.48Å; D453-Q457 PolarHBondContact O-N 2.73Å; D453-Y496 WeakPolarHBondContact OD1-CE1 3.44Å; D453-K499 IonicContact OD1-NZ 3.22Å; D453-K499 PolarHBondContact OD1-NZ 3.09Å
454N88.6Confident88.8Confident78 Ų7851 Ų5142%0.41726%0.256SS..Hα-helixtrans-62.3-42.4174-86.9-69.2000112.2S450 V451 Q457 Y458S450-N454 WeakPolarHBondContact O-CB 3.38Å; S450-N454 PolarHBondContact O-N 3.49Å; S450-N454 PolarHBondContact O-ND2 3.33Å; V451-N454 PolarHBondContact O-N 3.43Å; N454-Q457 PolarHBondContact O-N 3.49Å; N454-Y458 HydrophobicContact CB-CD2 4.5Å; N454-Y458 WeakPolarHBondContact O-CD2 3.38Å; N454-Y458 PolarHBondContact O-N 3.49Å; N454-Y458 WeakPolarHBondContact OD1-CE2 3.47Å
455Y93Very high89.7Confident2 Ų246.8 Ų46.81%0.00824%0.24CC..Iπ-helixtrans-60.8-48.6175.8176.8-94.4000111.2Q409 L412 D413 V451 L452 D453 Q457 H459 F460 F500Q409-Y455 HydrophobicContact CB-CD2 4.05Å; Q409-Y455 HydrophobicContact CB-CE2 4.42Å; Q409-Y455 HydrophobicContact CG-CD2 3.92Å; Q409-Y455 HydrophobicContact CG-CG 4.49Å; L412-Y455 HydrophobicContact CB-CD1 4.4Å; L412-Y455 HydrophobicContact CB-CE1 3.67Å; L412-Y455 HydrophobicContact CB-CE2 4.14Å; L412-Y455 HydrophobicContact CD1-CD1 3.64Å; L412-Y455 HydrophobicContact CD1-CE1 3.73Å; L412-Y455 HydrophobicContact CD1-CG 4.07Å; L412-Y455 HydrophobicContact CG-CE1 4.28Å; D413-Y455 PolarHBondContact N-OH 3.39Å; D413-Y455 PolarHBondContact OD1-OH 3.41Å; V451-Y455 WeakPolarHBondContact O-CB 3.28Å; V451-Y455 PolarHBondContact O-N 3.1Å; L452-Y455 PolarHBondContact O-N 3.03Å; D453-Y455 PolarHBondContact O-N 3.04Å; Y455-Q457 VanDerWaalsContact C-N 3.28Å; Y455-Q457 PolarHBondContact O-N 3.02Å; Y455-H459 HydrophobicContact CD2-CB 3.66Å; Y455-H459 HydrophobicContact CE2-CB 4Å; Y455-H459 HydrophobicContact CG-CB 4.37Å; Y455-H459 PolarHBondContact O-N 3.29Å; Y455-F460 HydrophobicContact CD1-CB 4.17Å; Y455-F460 HydrophobicContact CE1-CB 3.87Å; Y455-F460 AromaticContact CE1-CD2 3.9Å; Y455-F460 HydrophobicContact CE1-CD2 3.9Å; Y455-F460 HydrophobicContact CE1-CG 4.34Å; Y455-F460 WeakPolarHBondContact O-CB 3.34Å; Y455-F460 PolarHBondContact O-N 3.38Å; Y455-F500 AromaticContact CD1-CE1 3.91Å; Y455-F500 HydrophobicContact CD1-CE1 3.91Å; Y455-F500 HydrophobicContact CD1-CZ 4.04Å; Y455-F500 AromaticContact CE1-CE1 3.74Å; Y455-F500 HydrophobicContact CE1-CE1 3.74Å; Y455-F500 HydrophobicContact CE1-CZ 4.1Å
456L93Very high90.3Very high12 Ų1246.1 Ų46.16%0.06324%0.238CC..Iπ-helixtrans-55-43.1174.1-85.6161000112.1L452 D453 Y496 K499 F500 R503L452-L456 HydrophobicContact CG-CD1 4.47Å; L452-L456 WeakPolarHBondContact O-CB 3.3Å; L452-L456 WeakPolarHBondContact O-CG 3.48Å; L452-L456 PolarHBondContact O-N 3.33Å; D453-L456 WeakPolarHBondContact O-CB 3.39Å; D453-L456 PolarHBondContact O-N 3.43Å; L456-Y496 HydrophobicContact CD1-CD1 3.91Å; L456-Y496 HydrophobicContact CD1-CE1 4.35Å; L456-K499 HydrophobicContact CD1-CB 3.8Å; L456-K499 HydrophobicContact CD1-CD 4.18Å; L456-K499 HydrophobicContact CD2-CB 4.22Å; L456-F500 HydrophobicContact CD2-CB 4.3Å; L456-F500 HydrophobicContact CD2-CD1 3.29Å; L456-F500 HydrophobicContact CD2-CD2 4.2Å; L456-F500 HydrophobicContact CD2-CE1 3.43Å; L456-F500 VanDerWaalsContact CD2-CE1 3.43Å; L456-F500 HydrophobicContact CD2-CE2 4.34Å; L456-F500 HydrophobicContact CD2-CG 3.68Å; L456-F500 HydrophobicContact CD2-CZ 3.98Å; L456-F500 HydrophobicContact CG-CD1 4.18Å; L456-F500 HydrophobicContact CG-CE1 3.81Å; L456-F500 HydrophobicContact CG-CE2 4.47Å; L456-F500 HydrophobicContact CG-CZ 3.98Å; L456-R503 HydrophobicContact CD2-CB 4.23Å; L456-R503 WeakPolarHBondContact O-CG 3.34Å; L456-R503 PolarHBondContact O-NE 3.12Å; L456-R503 VanDerWaalsContact O-NE 3.12Å
457Q89.9Confident90.9Very high101 Ų10144.5 Ų44.547%0.47223%0.23SC..Iπ-helixtrans-75.5-45.6-175.5-170.11728.800113.1D453 N454 Y455 R503D453-Q457 WeakPolarHBondContact O-CB 3.48Å; D453-Q457 PolarHBondContact O-N 2.73Å; N454-Q457 PolarHBondContact O-N 3.49Å; Y455-Q457 VanDerWaalsContact C-N 3.28Å; Y455-Q457 PolarHBondContact O-N 3.02Å; Q457-R503 PolarHBondContact O-NH2 3.02Å
458Y89Confident91.6Very high148 Ų14843.1 Ų43.158%0.5822%0.221SC*.Iπ-helixtrans-113.6-22.3-165.9-58.2-67.7000115.3N454N454-Y458 HydrophobicContact CB-CD2 4.5Å; N454-Y458 WeakPolarHBondContact O-CD2 3.38Å; N454-Y458 PolarHBondContact O-N 3.49Å; N454-Y458 WeakPolarHBondContact OD1-CE2 3.47Å
459H87.9Confident92.1Very high65 Ų6542.6 Ų42.630%0.30122%0.219SC..Iπ-helixtrans-118-35.1-169.4-60.8-56.5000114.1Q409 Y455 S461Q409-H459 PolarHBondContact OE1-CD2 2.75Å; Y455-H459 HydrophobicContact CD2-CB 3.66Å; Y455-H459 HydrophobicContact CE2-CB 4Å; Y455-H459 HydrophobicContact CG-CB 4.37Å; Y455-H459 PolarHBondContact O-N 3.29Å; H459-S461 PolarHBondContact O-N 3.22Å
460F94.9Very high92.5Very high7 Ų739.9 Ų39.93%0.03121%0.207CC..  trans-59.4124.1-179.6178.7-106.4000111.1F416 Y455 A462 A465 F500 R503 L507F416-F460 AromaticContact CD1-CE2 3.8Å; F416-F460 HydrophobicContact CD1-CE2 3.8Å; F416-F460 HydrophobicContact CD1-CZ 4.45Å; F416-F460 AromaticContact CD2-CD2 3.91Å; F416-F460 HydrophobicContact CD2-CD2 3.91Å; F416-F460 AromaticContact CD2-CE2 3.57Å; F416-F460 HydrophobicContact CD2-CE2 3.57Å; F416-F460 AromaticContact CE1-CE2 3.7Å; F416-F460 HydrophobicContact CE1-CE2 3.7Å; F416-F460 HydrophobicContact CE1-CZ 4.19Å; F416-F460 AromaticContact CE2-CD2 3.86Å; F416-F460 HydrophobicContact CE2-CD2 3.86Å; F416-F460 AromaticContact CE2-CE2 3.47Å; F416-F460 HydrophobicContact CE2-CE2 3.47Å; F416-F460 VanDerWaalsContact CE2-CE2 3.47Å; F416-F460 HydrophobicContact CG-CD2 4.43Å; F416-F460 AromaticContact CG-CE2 3.75Å; F416-F460 HydrophobicContact CG-CE2 3.75Å; F416-F460 HydrophobicContact CZ-CD2 4.33Å; F416-F460 AromaticContact CZ-CE2 3.54Å; F416-F460 HydrophobicContact CZ-CE2 3.54Å; F416-F460 HydrophobicContact CZ-CZ 4.25Å; Y455-F460 HydrophobicContact CD1-CB 4.17Å; Y455-F460 HydrophobicContact CE1-CB 3.87Å; Y455-F460 AromaticContact CE1-CD2 3.9Å; Y455-F460 HydrophobicContact CE1-CD2 3.9Å; Y455-F460 HydrophobicContact CE1-CG 4.34Å; Y455-F460 WeakPolarHBondContact O-CB 3.34Å; Y455-F460 PolarHBondContact O-N 3.38Å; F460-A462 HydrophobicContact CD2-CB 4.42Å; F460-A462 HydrophobicContact CE2-CB 3.63Å; F460-A462 HydrophobicContact CZ-CB 3.78Å; F460-A465 HydrophobicContact CZ-CB 4.23Å; F460-F500 HydrophobicContact CD1-CD1 4.34Å; F460-F500 AromaticContact CD2-CD1 3.72Å; F460-F500 HydrophobicContact CD2-CD1 3.72Å; F460-F500 AromaticContact CD2-CE1 3.7Å; F460-F500 HydrophobicContact CD2-CE1 3.7Å; F460-F500 HydrophobicContact CE1-CD1 4.25Å; F460-F500 AromaticContact CE2-CD1 3.63Å; F460-F500 HydrophobicContact CE2-CD1 3.63Å; F460-F500 HydrophobicContact CE2-CE1 4.04Å; F460-F500 HydrophobicContact CG-CD1 4.06Å; F460-F500 HydrophobicContact CG-CE1 4.09Å; F460-F500 AromaticContact CZ-CD1 3.9Å; F460-F500 HydrophobicContact CZ-CD1 3.9Å; F460-R503 HydrophobicContact CD1-CB 4.04Å; F460-R503 HydrophobicContact CD1-CG 3.58Å; F460-R503 HydrophobicContact CE1-CB 4.19Å; F460-R503 HydrophobicContact CE1-CG 4.15Å; F460-L507 HydrophobicContact CD1-CD1 3.83Å; F460-L507 HydrophobicContact CE1-CD1 4.1Å; F460-L507 VanDerWaalsContact O-CD1 3.25Å; F460-L507 WeakPolarHBondContact O-CD1 3.27Å
461S91.9Very high93Very high90 Ų9039.8 Ų39.863%0.62921%0.205SC*.  trans-128.91.8-171.259.40000114.3H459 A463H459-S461 PolarHBondContact O-N 3.22Å; S461-A463 PolarHBondContact O-N 3.25Å
462A94.3Very high93.4Very high8 Ų840.5 Ų40.57%0.06621%0.209CC..  trans-79.478.7-175.100000112.8F416 I420 F460 L464 A465 S504F416-A462 HydrophobicContact CB-CB 3.85Å; F416-A462 HydrophobicContact CD1-CB 4.06Å; F416-A462 HydrophobicContact CG-CB 4.07Å; I420-A462 HydrophobicContact CD1-CB 3.73Å; F460-A462 HydrophobicContact CD2-CB 4.42Å; F460-A462 HydrophobicContact CE2-CB 3.63Å; F460-A462 HydrophobicContact CZ-CB 3.78Å; A462-L464 VanDerWaalsContact C-N 3.26Å; A462-L464 PolarHBondContact O-N 3Å; A462-A465 HydrophobicContact CB-CB 3.96Å; A462-A465 WeakPolarHBondContact O-CB 3.42Å; A462-A465 PolarHBondContact O-N 3.07Å; A462-S504 WeakPolarHBondContact O-CB 3.38Å; A462-S504 PolarHBondContact O-OG 3.01Å
463A93.1Very high93.7Very high12 Ų1240.6 Ų40.610%0.09921%0.209CC..THydrogen-bonded Turntrans-65.9-17-174.700000115.8S461 Y466 S504 L507 L511S461-A463 PolarHBondContact O-N 3.25Å; A463-Y466 WeakPolarHBondContact O-CE1 3.39Å; A463-S504 PolarHBondContact O-OG 3.07Å; A463-L507 HydrophobicContact CB-CB 3.92Å; A463-L511 HydrophobicContact CB-CD1 3.66Å
464L92.9Very high93.9Very high80 Ų8040.9 Ų40.942%0.41921%0.207SC..THydrogen-bonded Turntrans-104-0.1177.8-67.4174.3000113.2A462 Y466 Q467 Y508A462-L464 VanDerWaalsContact C-N 3.26Å; A462-L464 PolarHBondContact O-N 3Å; L464-Y466 VanDerWaalsContact C-N 3.28Å; L464-Y466 PolarHBondContact O-N 2.8Å; L464-Q467 WeakPolarHBondContact O-CB 3.34Å; L464-Q467 PolarHBondContact O-N 3.5Å; L464-Q467 VanDerWaalsContact O-N 3.14Å; L464-Y508 HydrophobicContact CD2-CD2 3.74Å; L464-Y508 HydrophobicContact CD2-CE2 3.58Å
465A96Very high94.2Very high1 Ų139.6 Ų39.61%0.00820%0.201CC..THydrogen-bonded Turntrans-58.8-37.5-176.700000112.7F416 L419 F460 A462 Q467 K468 L469 S504F416-A465 HydrophobicContact CD1-CB 3.88Å; F416-A465 HydrophobicContact CE1-CB 3.93Å; L419-A465 HydrophobicContact CD2-CB 4.36Å; F460-A465 HydrophobicContact CZ-CB 4.23Å; A462-A465 HydrophobicContact CB-CB 3.96Å; A462-A465 WeakPolarHBondContact O-CB 3.42Å; A462-A465 PolarHBondContact O-N 3.07Å; A465-Q467 PolarHBondContact O-N 3.26Å; A465-Q467 VanDerWaalsContact O-N 3.14Å; A465-K468 PolarHBondContact O-N 3.16Å; A465-L469 HydrophobicContact CB-CD1 4.36Å; A465-L469 WeakPolarHBondContact O-CG 3.48Å; A465-L469 PolarHBondContact O-N 2.7Å; A465-S504 PolarHBondContact N-OG 2.94Å
466Y96Very high94.1Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-57.5-30.8179.677.8-96.7000113.4A463 L464 K468 I470 S504 Y508 F521 L524A463-Y466 WeakPolarHBondContact O-CE1 3.39Å; L464-Y466 VanDerWaalsContact C-N 3.28Å; L464-Y466 PolarHBondContact O-N 2.8Å; Y466-K468 PolarHBondContact O-N 2.97Å; Y466-I470 HydrophobicContact CD2-CD1 4.18Å; Y466-I470 WeakPolarHBondContact O-CG1 3.43Å; Y466-I470 PolarHBondContact O-N 3.33Å; Y466-I470 VanDerWaalsContact O-N 3.14Å; Y466-S504 PolarHBondContact N-OG 3.47Å; Y466-S504 VanDerWaalsContact N-OG 3.15Å; Y466-Y508 HydrophobicContact CE1-CD2 4.4Å; Y466-Y508 HydrophobicContact CE1-CG 4.14Å; Y466-F521 AromaticContact CD2-CD2 3.53Å; Y466-F521 HydrophobicContact CD2-CD2 3.53Å; Y466-F521 HydrophobicContact CD2-CE2 4.13Å; Y466-F521 HydrophobicContact CE2-CB 4.1Å; Y466-F521 AromaticContact CE2-CD2 3.68Å; Y466-F521 HydrophobicContact CE2-CD2 3.68Å; Y466-F521 HydrophobicContact CE2-CG 4.37Å; Y466-F521 HydrophobicContact CG-CD2 4.14Å; Y466-F521 HydrophobicContact CG-CE2 4.39Å; Y466-L524 HydrophobicContact CD2-CD1 4.17Å; Y466-L524 HydrophobicContact CE2-CD1 4.18Å
467Q94.8Very high94.1Very high67 Ų6739.3 Ų39.331%0.31320%0.2SC..Hα-helixtrans-68.3-21.2-179.5-63.5-175.3-0.500112.5L464 A465 P471L464-Q467 WeakPolarHBondContact O-CB 3.34Å; L464-Q467 PolarHBondContact O-N 3.5Å; L464-Q467 VanDerWaalsContact O-N 3.14Å; A465-Q467 PolarHBondContact O-N 3.26Å; A465-Q467 VanDerWaalsContact O-N 3.14Å; Q467-P471 VanDerWaalsContact O-CD 3.23Å; Q467-P471 WeakPolarHBondContact O-CD 3.3Å; Q467-P471 VanDerWaalsContact O-CG 3.23Å; Q467-P471 WeakPolarHBondContact O-CG 3.27Å
468K96Very high94.2Very high39 Ų3938.2 Ų38.217%0.1720%0.197CC..Hα-helixtrans-101-44.1175.1-68.1-173.1163.8-151.40112L419 S422 N423 D426 A465 Y466 I470 P471 L472L419-K468 HydrophobicContact CD1-CB 4.22Å; L419-K468 HydrophobicContact CD1-CD 3.91Å; L419-K468 HydrophobicContact CD2-CB 4.44Å; L419-K468 HydrophobicContact CG-CB 4.36Å; L419-K468 HydrophobicContact CG-CD 3.87Å; L419-K468 VanDerWaalsContact O-CD 3.28Å; L419-K468 WeakPolarHBondContact O-CD 3.28Å; L419-K468 VanDerWaalsContact O-CE 3.3Å; L419-K468 WeakPolarHBondContact O-CE 3.37Å; L419-K468 PolarHBondContact O-NZ 3.41Å; S422-K468 PolarHBondContact O-NZ 3.5Å; N423-K468 WeakPolarHBondContact OD1-CE 3.12Å; N423-K468 PolarHBondContact OD1-NZ 3Å; D426-K468 VanDerWaalsContact CG-NZ 3.25Å; D426-K468 IonicContact OD1-NZ 3Å; D426-K468 PolarHBondContact OD1-NZ 2.84Å; D426-K468 WeakPolarHBondContact OD2-CE 3.32Å; D426-K468 IonicContact OD2-NZ 2.62Å; D426-K468 PolarHBondContact OD2-NZ 3.01Å; A465-K468 PolarHBondContact O-N 3.16Å; Y466-K468 PolarHBondContact O-N 2.97Å; K468-I470 PolarHBondContact O-N 3.42Å; K468-P471 WeakPolarHBondContact O-CD 3.49Å; K468-L472 HydrophobicContact CB-CD1 4.44Å; K468-L472 WeakPolarHBondContact O-CB 3.38Å; K468-L472 WeakPolarHBondContact O-CD1 3.32Å; K468-L472 WeakPolarHBondContact O-CG 3.34Å; K468-L472 PolarHBondContact O-N 3.43Å; K468-L472 VanDerWaalsContact O-N 3.07Å
469L97.5Very high94.2Very high2 Ų235.9 Ų35.91%0.0119%0.19CC..Hα-helixtrans-61.4-43.6-177.6-67.6-177000112.8F416 L419 F430 L433 A465 L472 F473 F500 I501F416-L469 HydrophobicContact CE1-CD1 4.14Å; L419-L469 HydrophobicContact CD2-CD2 4Å; L419-L469 HydrophobicContact CD2-CG 4.33Å; F430-L469 HydrophobicContact CD2-CD2 3.83Å; F430-L469 HydrophobicContact CE2-CD2 4.33Å; L433-L469 HydrophobicContact CD2-CD1 4.39Å; L433-L469 HydrophobicContact CD2-CD2 3.91Å; A465-L469 HydrophobicContact CB-CD1 4.36Å; A465-L469 WeakPolarHBondContact O-CG 3.48Å; A465-L469 PolarHBondContact O-N 2.7Å; L469-L472 PolarHBondContact O-N 2.92Å; L469-F473 WeakPolarHBondContact O-CB 3.42Å; L469-F473 PolarHBondContact O-N 3.4Å; L469-F500 HydrophobicContact CD1-CB 4.33Å; L469-I501 HydrophobicContact CB-CD1 4.33Å; L469-I501 HydrophobicContact CB-CG1 4.01Å; L469-I501 HydrophobicContact CD1-CG1 4.1Å
470I97.9Very high94Very high1 Ų132.9 Ų32.91%0.00518%0.176CC..Hα-helixtrans-65.5-50.8-178.2-60.9166.7000111.2Y466 K468 L472 F473 K474 I501 F521 L524 I525 L528Y466-I470 HydrophobicContact CD2-CD1 4.18Å; Y466-I470 WeakPolarHBondContact O-CG1 3.43Å; Y466-I470 PolarHBondContact O-N 3.33Å; Y466-I470 VanDerWaalsContact O-N 3.14Å; K468-I470 PolarHBondContact O-N 3.42Å; I470-L472 PolarHBondContact O-N 3.26Å; I470-F473 PolarHBondContact O-N 3.38Å; I470-K474 WeakPolarHBondContact O-CB 3.35Å; I470-K474 PolarHBondContact O-N 2.88Å; I470-I501 HydrophobicContact CD1-CG2 3.75Å; I470-I501 HydrophobicContact CG1-CD1 3.8Å; I470-I501 HydrophobicContact CG1-CG1 4.05Å; I470-I501 HydrophobicContact CG1-CG2 3.86Å; I470-F521 HydrophobicContact CD1-CD2 4.15Å; I470-F521 HydrophobicContact CD1-CE2 3.92Å; I470-L524 HydrophobicContact CB-CB 4.24Å; I470-L524 HydrophobicContact CD1-CB 3.87Å; I470-L524 HydrophobicContact CD1-CD1 4.3Å; I470-L524 HydrophobicContact CG2-CB 3.8Å; I470-L524 WeakPolarHBondContact CG2-O 3.32Å; I470-I525 HydrophobicContact CD1-CD1 3.86Å; I470-I525 HydrophobicContact CD1-CG1 4.33Å; I470-L528 HydrophobicContact CG2-CB 3.93Å; I470-L528 HydrophobicContact CG2-CD2 4.23Å
471P96.7Very high93.3Very high53 Ų5338.7 Ų38.734%0.34420%0.203SC..Hα-helixtrans-59.2-40174.9-28.337.1000114.3Q467 K468 K474 D475 L524Q467-P471 VanDerWaalsContact O-CD 3.23Å; Q467-P471 WeakPolarHBondContact O-CD 3.3Å; Q467-P471 VanDerWaalsContact O-CG 3.23Å; Q467-P471 WeakPolarHBondContact O-CG 3.27Å; K468-P471 WeakPolarHBondContact O-CD 3.49Å; P471-K474 PolarHBondContact O-N 3.31Å; P471-D475 WeakPolarHBondContact O-CB 3.4Å; P471-D475 PolarHBondContact O-N 2.98Å; P471-L524 HydrophobicContact CG-CD2 3.88Å
472L95.7Very high92.8Very high24 Ų2440.9 Ų40.913%0.12621%0.208CC..Hα-helixtrans-65.4-40.7178.4-71.4165.8000111.8D426 L427 F430 K468 L469 I470 D475 C476D426-L472 HydrophobicContact CB-CD1 4.11Å; D426-L472 HydrophobicContact CB-CD2 4.46Å; L427-L472 HydrophobicContact CD1-CD2 4.02Å; F430-L472 HydrophobicContact CB-CB 4.47Å; F430-L472 HydrophobicContact CB-CD1 3.95Å; F430-L472 HydrophobicContact CD2-CB 3.8Å; F430-L472 HydrophobicContact CD2-CD1 4.24Å; F430-L472 HydrophobicContact CE2-CB 4.13Å; F430-L472 HydrophobicContact CG-CB 4.02Å; F430-L472 HydrophobicContact CG-CD1 4.33Å; K468-L472 HydrophobicContact CB-CD1 4.44Å; K468-L472 WeakPolarHBondContact O-CB 3.38Å; K468-L472 WeakPolarHBondContact O-CD1 3.32Å; K468-L472 WeakPolarHBondContact O-CG 3.34Å; K468-L472 PolarHBondContact O-N 3.43Å; K468-L472 VanDerWaalsContact O-N 3.07Å; L469-L472 PolarHBondContact O-N 2.92Å; I470-L472 PolarHBondContact O-N 3.26Å; L472-D475 PolarHBondContact O-N 3.09Å; L472-C476 PolarHBondContact O-N 3.14Å; L472-C476 PolarHBondContact O-SG 3.22Å
473F96.7Very high92.1Very high1 Ų142.8 Ų42.80%0.00422%0.22CC..Hα-helixtrans-66.1-44.5174.4-169180000111F430 L469 I470 D475 C476 I477 L487 T490 L491 L494 L497 L528F430-F473 HydrophobicContact CE2-CB 4.11Å; F430-F473 HydrophobicContact CZ-CB 3.84Å; F430-F473 HydrophobicContact CZ-CG 4.29Å; L469-F473 WeakPolarHBondContact O-CB 3.42Å; L469-F473 PolarHBondContact O-N 3.4Å; I470-F473 PolarHBondContact O-N 3.38Å; F473-D475 VanDerWaalsContact C-N 3.34Å; F473-D475 PolarHBondContact O-N 3.46Å; F473-C476 WeakPolarHBondContact O-CB 3.37Å; F473-C476 PolarHBondContact O-N 3Å; F473-C476 VanDerWaalsContact O-N 3.16Å; F473-I477 HydrophobicContact CD2-CD1 3.86Å; F473-I477 HydrophobicContact CD2-CG1 4.13Å; F473-I477 HydrophobicContact CE2-CD1 3.79Å; F473-I477 HydrophobicContact CE2-CG1 4.05Å; F473-I477 PolarHBondContact O-N 2.9Å; F473-I477 VanDerWaalsContact O-N 3.14Å; F473-L487 HydrophobicContact CE2-CD1 4.28Å; F473-T490 HydrophobicContact CD2-CG2 3.44Å; F473-T490 VanDerWaalsContact CD2-CG2 3.44Å; F473-T490 HydrophobicContact CE2-CG2 3.45Å; F473-T490 VanDerWaalsContact CE2-CG2 3.45Å; F473-T490 HydrophobicContact CG-CG2 4.09Å; F473-T490 HydrophobicContact CZ-CG2 4.06Å; F473-L491 HydrophobicContact CE2-CD2 4.24Å; F473-L491 HydrophobicContact CZ-CD2 4.14Å; F473-L494 HydrophobicContact CE1-CD1 3.47Å; F473-L494 VanDerWaalsContact CE1-CD1 3.47Å; F473-L494 HydrophobicContact CZ-CD1 3.73Å; F473-L497 HydrophobicContact CD1-CD1 4.49Å; F473-L497 HydrophobicContact CE1-CD1 4.43Å; F473-L528 HydrophobicContact CB-CD1 4.14Å; F473-L528 HydrophobicContact CD1-CD1 4.01Å; F473-L528 HydrophobicContact CD1-CD2 4.14Å; F473-L528 HydrophobicContact CD2-CD1 4.39Å; F473-L528 HydrophobicContact CG-CD1 3.91Å
474K96.6Very high91.7Very high67 Ų6744.1 Ų44.129%0.29123%0.229SC..Hα-helixtrans-57-46.7174.9-173.1-174.8174.9-68.50111.7I470 P471 C476 I477 D478 G527 L528 S531I470-K474 WeakPolarHBondContact O-CB 3.35Å; I470-K474 PolarHBondContact O-N 2.88Å; P471-K474 PolarHBondContact O-N 3.31Å; K474-C476 VanDerWaalsContact C-N 3.3Å; K474-C476 PolarHBondContact O-N 3.06Å; K474-I477 WeakPolarHBondContact O-CB 3.25Å; K474-I477 PolarHBondContact O-N 2.94Å; K474-D478 IonicContact NZ-OD1 3.53Å; K474-D478 IonicContact NZ-OD2 2.7Å; K474-D478 PolarHBondContact NZ-OD2 2.68Å; K474-D478 PolarHBondContact O-N 3.43Å; K474-G527 WeakPolarHBondContact CE-O 3.4Å; K474-L528 HydrophobicContact CB-CD1 4.22Å; K474-S531 WeakPolarHBondContact CE-OG 3.41Å; K474-S531 WeakPolarHBondContact CG-OG 3.47Å
475D93.8Very high91.4Very high51 Ų5145 Ų4527%0.27324%0.238SC..Hα-helixtrans-60.4-38.1177.2-172.169.1000112.1P471 L472 F473 I477 D478 K479P471-D475 WeakPolarHBondContact O-CB 3.4Å; P471-D475 PolarHBondContact O-N 2.98Å; L472-D475 PolarHBondContact O-N 3.09Å; F473-D475 VanDerWaalsContact C-N 3.34Å; F473-D475 PolarHBondContact O-N 3.46Å; D475-I477 VanDerWaalsContact C-N 3.27Å; D475-I477 PolarHBondContact O-N 3.4Å; D475-D478 PolarHBondContact O-N 3.42Å; D475-K479 WeakPolarHBondContact O-CB 3.38Å; D475-K479 PolarHBondContact O-N 2.97Å; D475-K479 WeakPolarHBondContact OD1-CE 3.23Å; D475-K479 IonicContact OD1-NZ 2.79Å; D475-K479 PolarHBondContact OD1-NZ 3.17Å; D475-K479 IonicContact OD2-NZ 2.8Å; D475-K479 PolarHBondContact OD2-NZ 3.4Å
476C91.1Very high91.1Very high4 Ų447.3 Ų47.33%0.02725%0.246CC..Hα-helixtrans-62.9-32.7173.8-68.90000112.9L472 F473 K474 L487L472-C476 PolarHBondContact O-N 3.14Å; L472-C476 PolarHBondContact O-SG 3.22Å; F473-C476 WeakPolarHBondContact O-CB 3.37Å; F473-C476 PolarHBondContact O-N 3Å; F473-C476 VanDerWaalsContact O-N 3.16Å; K474-C476 VanDerWaalsContact C-N 3.3Å; K474-C476 PolarHBondContact O-N 3.06Å; C476-L487 HydrophobicContact CB-CD1 4.37Å
477I93.3Very high91Very high5 Ų547.3 Ų47.33%0.02625%0.247CC..Hα-helixtrans-78-43.9176.5-62.2157.5000110.5F473 K474 D475 K479 V480 L487 L528 S531 L532 L535F473-I477 HydrophobicContact CD2-CD1 3.86Å; F473-I477 HydrophobicContact CD2-CG1 4.13Å; F473-I477 HydrophobicContact CE2-CD1 3.79Å; F473-I477 HydrophobicContact CE2-CG1 4.05Å; F473-I477 PolarHBondContact O-N 2.9Å; F473-I477 VanDerWaalsContact O-N 3.14Å; K474-I477 WeakPolarHBondContact O-CB 3.25Å; K474-I477 PolarHBondContact O-N 2.94Å; D475-I477 VanDerWaalsContact C-N 3.27Å; D475-I477 PolarHBondContact O-N 3.4Å; I477-K479 VanDerWaalsContact C-N 3.27Å; I477-K479 PolarHBondContact O-N 3.11Å; I477-V480 VanDerWaalsContact O-CB 3.3Å; I477-V480 WeakPolarHBondContact O-CB 3.26Å; I477-V480 WeakPolarHBondContact O-CG1 3.42Å; I477-V480 PolarHBondContact O-N 3.32Å; I477-L487 HydrophobicContact CB-CD1 4.39Å; I477-L487 HydrophobicContact CG1-CD1 3.56Å; I477-L487 HydrophobicContact CG1-CD2 4.48Å; I477-L528 HydrophobicContact CD1-CD1 3.63Å; I477-S531 WeakPolarHBondContact CG2-O 3.26Å; I477-L532 HydrophobicContact CD1-CD2 3.56Å; I477-L532 HydrophobicContact CD1-CG 3.76Å; I477-L532 HydrophobicContact CG1-CD2 4.3Å; I477-L535 HydrophobicContact CG2-CB 4.06Å; I477-L535 HydrophobicContact CG2-CD2 4.47Å
478D92.4Very high90.9Very high78 Ų7846 Ų4642%0.41724%0.241SC..Hα-helixtrans-65-31.2-178.3-67.4-19.4000112.3K474 D475 S531K474-D478 IonicContact NZ-OD1 3.53Å; K474-D478 IonicContact NZ-OD2 2.7Å; K474-D478 PolarHBondContact NZ-OD2 2.68Å; K474-D478 PolarHBondContact O-N 3.43Å; D475-D478 PolarHBondContact O-N 3.42Å; D478-S531 VanDerWaalsContact OD1-CB 3.28Å; D478-S531 WeakPolarHBondContact OD1-CB 3.46Å; D478-S531 PolarHBondContact OD1-OG 3.04Å
479K88.1Confident90.8Very high99 Ų9952.3 Ų52.343%0.4326%0.264SS..THydrogen-bonded Turntrans-97.627.5177.5-64.3175-180154.40113.7D475 I477 E481 D482 C483D475-K479 WeakPolarHBondContact O-CB 3.38Å; D475-K479 PolarHBondContact O-N 2.97Å; D475-K479 WeakPolarHBondContact OD1-CE 3.23Å; D475-K479 IonicContact OD1-NZ 2.79Å; D475-K479 PolarHBondContact OD1-NZ 3.17Å; D475-K479 IonicContact OD2-NZ 2.8Å; D475-K479 PolarHBondContact OD2-NZ 3.4Å; I477-K479 VanDerWaalsContact C-N 3.27Å; I477-K479 PolarHBondContact O-N 3.11Å; K479-E481 PolarHBondContact O-N 2.74Å; K479-D482 PolarHBondContact O-N 2.76Å; K479-D482 VanDerWaalsContact O-N 3.13Å; K479-C483 PolarHBondContact O-N 3.14Å
480V84.1Confident90.7Very high1 Ų152.2 Ų52.21%0.00626%0.264CS..Hα-helixtrans-60.3-30.1-173.863.40000113.5I477 D482 C483 S484 L487 L535 W542I477-V480 VanDerWaalsContact O-CB 3.3Å; I477-V480 WeakPolarHBondContact O-CB 3.26Å; I477-V480 WeakPolarHBondContact O-CG1 3.42Å; I477-V480 PolarHBondContact O-N 3.32Å; V480-D482 VanDerWaalsContact C-N 3.26Å; V480-D482 PolarHBondContact O-N 3.5Å; V480-C483 PolarHBondContact O-N 3.16Å; V480-S484 PolarHBondContact O-N 3.01Å; V480-S484 VanDerWaalsContact O-N 3.1Å; V480-L487 HydrophobicContact CB-CD2 3.81Å; V480-L487 HydrophobicContact CG2-CB 4.33Å; V480-L487 HydrophobicContact CG2-CD2 3.29Å; V480-L487 HydrophobicContact CG2-CG 4.41Å; V480-L535 HydrophobicContact CB-CD1 4.43Å; V480-L535 HydrophobicContact CG1-CD1 4.14Å; V480-L535 HydrophobicContact CG2-CD1 4.14Å; V480-W542 HydrophobicContact CB-CH2 4.29Å; V480-W542 HydrophobicContact CB-CZ3 3.98Å; V480-W542 HydrophobicContact CG1-CH2 3.41Å; V480-W542 VanDerWaalsContact CG1-CH2 3.41Å; V480-W542 HydrophobicContact CG1-CZ3 3.58Å; V480-W542 HydrophobicContact CG2-CE3 4.18Å; V480-W542 HydrophobicContact CG2-CH2 4.16Å; V480-W542 HydrophobicContact CG2-CZ3 3.37Å
481E81.2Confident90.6Very high130 Ų13052.2 Ų52.261%0.60726%0.263SS*.Hα-helixtrans-59.9-35.6177.7-72.9177.8-170.400112.4K479 Y538 W542K479-E481 PolarHBondContact O-N 2.74Å; E481-Y538 WeakPolarHBondContact OE1-CE1 3.18Å; E481-W542 HydrophobicContact CB-CZ2 4.46Å; E481-W542 HydrophobicContact CG-CH2 3.86Å; E481-W542 HydrophobicContact CG-CZ2 3.45Å; E481-W542 VanDerWaalsContact CG-CZ2 3.45Å
482D80.7Confident90.5Very high135 Ų13555.2 Ų55.272%0.72227%0.271SS*.Hα-helixtrans-86.8-22.6-179.3-62.1-40.7000112.8K479 V480K479-D482 PolarHBondContact O-N 2.76Å; K479-D482 VanDerWaalsContact O-N 3.13Å; V480-D482 VanDerWaalsContact C-N 3.26Å; V480-D482 PolarHBondContact O-N 3.5Å
483C80.2Confident90.5Very high48 Ų4854.1 Ų54.132%0.32427%0.265SS..Hα-helixtrans-144.537.9-160-78.10000114.3K479 V480 T485 R486 L487K479-C483 PolarHBondContact O-N 3.14Å; V480-C483 PolarHBondContact O-N 3.16Å; C483-T485 VanDerWaalsContact C-N 3.32Å; C483-T485 PolarHBondContact O-N 3.33Å; C483-R486 HydrophobicContact CB-CB 4.18Å; C483-R486 WeakPolarHBondContact O-CB 3.12Å; C483-R486 PolarHBondContact O-N 3.3Å; C483-R486 VanDerWaalsContact O-N 3.07Å; C483-L487 PolarHBondContact O-N 3.42Å
484S84Confident90.6Very high41 Ų4154.1 Ų54.129%0.28727%0.265SS..Hα-helixtrans-54.9-39.7-175.864.40000114.6V480 R486 L487 L488 C546V480-S484 PolarHBondContact O-N 3.01Å; V480-S484 VanDerWaalsContact O-N 3.1Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 2.89Å; S484-L487 PolarHBondContact O-N 3.45Å; S484-L488 WeakPolarHBondContact O-CB 3.33Å; S484-L488 PolarHBondContact O-N 3.13Å; S484-C546 PolarHBondContact O-SG 3.05Å; S484-C546 VanDerWaalsContact O-SG 3.36Å
485T86.6Confident90.5Very high99 Ų9953 Ų5361%0.60726%0.261SS*.Hα-helixtrans-66.3-36.4178.655.70000112.6C483 R489C483-T485 VanDerWaalsContact C-N 3.32Å; C483-T485 PolarHBondContact O-N 3.33Å; T485-R489 WeakPolarHBondContact O-CG 3.36Å; T485-R489 PolarHBondContact O-N 3.42Å
486R90.3Very high90.7Very high48 Ų4851.2 Ų51.218%0.18125%0.251CS..Hα-helixtrans-66.8-50175.6-175-178.4-177.5-161.5-4.3110.3D431 C483 S484 L488 R489 T490D431-R486 IonicContact OD1-CZ 3.43Å; D431-R486 IonicContact OD1-NE 2.97Å; D431-R486 PolarHBondContact OD1-NE 3.45Å; D431-R486 IonicContact OD1-NH2 3.75Å; D431-R486 PolarHBondContact OD1-NH2 3.35Å; D431-R486 IonicContact OD2-CZ 3.73Å; D431-R486 IonicContact OD2-NE 3.67Å; D431-R486 PolarHBondContact OD2-NE 2.98Å; D431-R486 IonicContact OD2-NH2 3.55Å; D431-R486 PolarHBondContact OD2-NH2 3.03Å; C483-R486 HydrophobicContact CB-CB 4.18Å; C483-R486 WeakPolarHBondContact O-CB 3.12Å; C483-R486 PolarHBondContact O-N 3.3Å; C483-R486 VanDerWaalsContact O-N 3.07Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 2.89Å; R486-L488 VanDerWaalsContact C-N 3.28Å; R486-L488 PolarHBondContact O-N 3.17Å; R486-R489 WeakPolarHBondContact O-CB 3.38Å; R486-R489 PolarHBondContact O-N 2.93Å; R486-R489 VanDerWaalsContact O-N 3.1Å; R486-T490 PolarHBondContact O-N 3.49Å; R486-T490 PolarHBondContact O-OG1 3.22Å
487L94Very high91Very high1 Ų151 Ų511%0.00525%0.25CC..Hα-helixtrans-58.5-41.2177179.261.8000111.7F473 C476 I477 V480 C483 S484 R489 T490 L491 L535 C546F473-L487 HydrophobicContact CE2-CD1 4.28Å; C476-L487 HydrophobicContact CB-CD1 4.37Å; I477-L487 HydrophobicContact CB-CD1 4.39Å; I477-L487 HydrophobicContact CG1-CD1 3.56Å; I477-L487 HydrophobicContact CG1-CD2 4.48Å; V480-L487 HydrophobicContact CB-CD2 3.81Å; V480-L487 HydrophobicContact CG2-CB 4.33Å; V480-L487 HydrophobicContact CG2-CD2 3.29Å; V480-L487 HydrophobicContact CG2-CG 4.41Å; C483-L487 PolarHBondContact O-N 3.42Å; S484-L487 PolarHBondContact O-N 3.45Å; L487-R489 VanDerWaalsContact C-N 3.29Å; L487-R489 PolarHBondContact O-N 3.01Å; L487-T490 WeakPolarHBondContact O-CB 3.33Å; L487-T490 PolarHBondContact O-N 3.07Å; L487-T490 VanDerWaalsContact O-N 3.12Å; L487-L491 HydrophobicContact CD1-CD1 4.13Å; L487-L491 HydrophobicContact CD1-CD2 4.47Å; L487-L491 HydrophobicContact CD1-CG 3.93Å; L487-L491 HydrophobicContact CD2-CD1 4.21Å; L487-L491 HydrophobicContact CG-CD1 3.79Å; L487-L491 HydrophobicContact CG-CG 4.09Å; L487-L491 WeakPolarHBondContact O-CB 3.45Å; L487-L491 WeakPolarHBondContact O-CG 3.28Å; L487-L491 PolarHBondContact O-N 3.33Å; L487-L535 HydrophobicContact CD2-CD1 4.16Å; L487-L535 HydrophobicContact CD2-CD2 3.99Å; L487-C546 HydrophobicContact CD2-CB 4.13Å
488L92.9Very high91.2Very high38 Ų3851.1 Ų51.120%0.19925%0.251CS..Hα-helixtrans-58.3-40.4177.4-179.561.4000112.4S484 R486 K492 L545 A549S484-L488 WeakPolarHBondContact O-CB 3.33Å; S484-L488 PolarHBondContact O-N 3.13Å; R486-L488 VanDerWaalsContact C-N 3.28Å; R486-L488 PolarHBondContact O-N 3.17Å; L488-K492 WeakPolarHBondContact O-CG 3.3Å; L488-K492 PolarHBondContact O-N 3.35Å; L488-K492 VanDerWaalsContact O-N 3.16Å; L488-L545 HydrophobicContact CD1-CB 4.27Å; L488-L545 WeakPolarHBondContact CD1-O 3.46Å; L488-L545 HydrophobicContact CD2-CB 4.24Å; L488-L545 HydrophobicContact CD2-CD1 4.39Å; L488-A549 HydrophobicContact CD1-CB 3.65Å
489R92.5Very high91.4Very high173 Ų17349.2 Ų49.265%0.65324%0.239SC*.Hα-helixtrans-66.3-44174.5-66.4176.2-172176.40.8110.9V434 T485 R486 L487 L491 K492 A493V434-R489 HydrophobicContact CG1-CB 3.83Å; T485-R489 WeakPolarHBondContact O-CG 3.36Å; T485-R489 PolarHBondContact O-N 3.42Å; R486-R489 WeakPolarHBondContact O-CB 3.38Å; R486-R489 PolarHBondContact O-N 2.93Å; R486-R489 VanDerWaalsContact O-N 3.1Å; L487-R489 VanDerWaalsContact C-N 3.29Å; L487-R489 PolarHBondContact O-N 3.01Å; R489-L491 PolarHBondContact O-N 3.34Å; R489-K492 PolarHBondContact O-N 3.2Å; R489-A493 PolarHBondContact O-N 2.65Å; R489-A493 VanDerWaalsContact O-N 3.15Å
490T95.9Very high91.9Very high0 Ų044.5 Ų44.50%022%0.218CC..Hα-helixtrans-60.3-43.4177.5-49.30000112.1F430 V434 F473 R486 L487 K492 A493 L494 L497F430-T490 HydrophobicContact CE1-CG2 3.77Å; F430-T490 HydrophobicContact CZ-CG2 3.59Å; V434-T490 HydrophobicContact CG2-CG2 4.12Å; F473-T490 HydrophobicContact CD2-CG2 3.44Å; F473-T490 VanDerWaalsContact CD2-CG2 3.44Å; F473-T490 HydrophobicContact CE2-CG2 3.45Å; F473-T490 VanDerWaalsContact CE2-CG2 3.45Å; F473-T490 HydrophobicContact CG-CG2 4.09Å; F473-T490 HydrophobicContact CZ-CG2 4.06Å; R486-T490 PolarHBondContact O-N 3.49Å; R486-T490 PolarHBondContact O-OG1 3.22Å; L487-T490 WeakPolarHBondContact O-CB 3.33Å; L487-T490 PolarHBondContact O-N 3.07Å; L487-T490 VanDerWaalsContact O-N 3.12Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-K492 PolarHBondContact O-N 3.27Å; T490-A493 CarbonylContact O-C 3.58Å; T490-A493 WeakPolarHBondContact O-CA 3.29Å; T490-A493 PolarHBondContact O-N 2.96Å; T490-A493 VanDerWaalsContact O-N 3.08Å; T490-L494 PolarHBondContact O-N 3.19Å; T490-L494 VanDerWaalsContact O-N 3.16Å; T490-L497 HydrophobicContact CG2-CD1 3.76Å
491L96.9Very high92.5Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-66.9-33.2177.6-71.5170.5000112.6F473 L487 R489 A493 L494 L532 L535 C546 A549 A550 Y553F473-L491 HydrophobicContact CE2-CD2 4.24Å; F473-L491 HydrophobicContact CZ-CD2 4.14Å; L487-L491 HydrophobicContact CD1-CD1 4.13Å; L487-L491 HydrophobicContact CD1-CD2 4.47Å; L487-L491 HydrophobicContact CD1-CG 3.93Å; L487-L491 HydrophobicContact CD2-CD1 4.21Å; L487-L491 HydrophobicContact CG-CD1 3.79Å; L487-L491 HydrophobicContact CG-CG 4.09Å; L487-L491 WeakPolarHBondContact O-CB 3.45Å; L487-L491 WeakPolarHBondContact O-CG 3.28Å; L487-L491 PolarHBondContact O-N 3.33Å; R489-L491 PolarHBondContact O-N 3.34Å; L491-A493 PolarHBondContact O-N 3.39Å; L491-L494 WeakPolarHBondContact O-CB 3.31Å; L491-L494 PolarHBondContact O-N 3.03Å; L491-L532 HydrophobicContact CD2-CD2 3.96Å; L491-L535 HydrophobicContact CD1-CD2 4.26Å; L491-C546 HydrophobicContact CD1-CB 3.93Å; L491-C546 VanDerWaalsContact CD1-O 3.22Å; L491-C546 WeakPolarHBondContact CD1-O 3.47Å; L491-A549 HydrophobicContact CB-CB 4Å; L491-A549 HydrophobicContact CD1-CB 4.36Å; L491-A550 HydrophobicContact CD1-CB 4.32Å; L491-A550 HydrophobicContact CD2-CB 4.19Å; L491-Y553 WeakPolarHBondContact O-CD2 3.3Å
492K94.6Very high93.3Very high116 Ų11638.8 Ų38.850%0.50419%0.192SC..Hα-helixtrans-67.2-27.2171.4-73.6176.9178.1-174.40112.7L488 R489 T490 L494 Y553L488-K492 WeakPolarHBondContact O-CG 3.3Å; L488-K492 PolarHBondContact O-N 3.35Å; L488-K492 VanDerWaalsContact O-N 3.16Å; R489-K492 PolarHBondContact O-N 3.2Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-K492 PolarHBondContact O-N 3.27Å; K492-L494 VanDerWaalsContact C-N 3.34Å; K492-Y553 HydrophobicContact CB-CE2 4.13Å; K492-Y553 HydrophobicContact CG-CE2 3.69Å
493A96Very high94Very high1 Ų134.6 Ų34.61%0.00817%0.166CC..THydrogen-bonded Turntrans-88.61.6175.500000113.6V434 I437 R489 T490 L491 E495 Y496 L497V434-A493 HydrophobicContact CG1-CB 4.26Å; I437-A493 HydrophobicContact CB-CB 3.97Å; I437-A493 HydrophobicContact CD1-CB 4.4Å; I437-A493 HydrophobicContact CG2-CB 3.56Å; R489-A493 PolarHBondContact O-N 2.65Å; R489-A493 VanDerWaalsContact O-N 3.15Å; T490-A493 CarbonylContact O-C 3.58Å; T490-A493 WeakPolarHBondContact O-CA 3.29Å; T490-A493 PolarHBondContact O-N 2.96Å; T490-A493 VanDerWaalsContact O-N 3.08Å; L491-A493 PolarHBondContact O-N 3.39Å; A493-E495 VanDerWaalsContact C-N 3.32Å; A493-E495 PolarHBondContact O-N 3.23Å; A493-Y496 PolarHBondContact O-N 3.28Å; A493-L497 HydrophobicContact CB-CD1 4.04Å; A493-L497 HydrophobicContact CB-CG 4.14Å; A493-L497 WeakPolarHBondContact O-CB 3.49Å; A493-L497 WeakPolarHBondContact O-CG 3.34Å; A493-L497 PolarHBondContact O-N 3.42Å
494L96.8Very high94.8Very high1 Ų132.3 Ų32.31%0.00515%0.15CC..Hα-helixtrans-53.6-42.3-170.8172.460.2000113.8F473 T490 L491 K492 T498 I554 I557F473-L494 HydrophobicContact CE1-CD1 3.47Å; F473-L494 VanDerWaalsContact CE1-CD1 3.47Å; F473-L494 HydrophobicContact CZ-CD1 3.73Å; T490-L494 PolarHBondContact O-N 3.19Å; T490-L494 VanDerWaalsContact O-N 3.16Å; L491-L494 WeakPolarHBondContact O-CB 3.31Å; L491-L494 PolarHBondContact O-N 3.03Å; K492-L494 VanDerWaalsContact C-N 3.34Å; L494-T498 WeakPolarHBondContact O-CB 3.48Å; L494-T498 PolarHBondContact O-N 2.84Å; L494-T498 PolarHBondContact O-OG1 3.04Å; L494-I554 HydrophobicContact CD2-CD1 4.11Å; L494-I557 HydrophobicContact CD1-CD1 4.33Å; L494-I557 HydrophobicContact CD1-CG2 4.25Å; L494-I557 HydrophobicContact CG-CG2 3.87Å
495E95.7Very high95.4Very high43 Ų4330.8 Ų30.820%0.20114%0.138CC..Hα-helixtrans-55.8-59.7179.3-174.2-166.5150.300111A493 T498 K499 H556A493-E495 VanDerWaalsContact C-N 3.32Å; A493-E495 PolarHBondContact O-N 3.23Å; E495-T498 PolarHBondContact O-N 3.3Å; E495-K499 WeakPolarHBondContact O-CG 3.48Å; E495-K499 PolarHBondContact O-N 3.3Å; E495-K499 IonicContact OE1-NZ 2.69Å; E495-K499 PolarHBondContact OE1-NZ 3.03Å; E495-H556 HydrophobicContact CB-CB 4.23Å; E495-H556 HydrophobicContact CG-CB 3.96Å
496Y96.8Very high95.8Very high14 Ų1429.1 Ų29.16%0.05512%0.123CC..Hα-helixtrans-72.8-33.8-176.7-76.2-77.7000113.2I437 K449 L452 D453 L456 A493 T498 K499 F500I437-Y496 HydrophobicContact CG2-CD2 4.07Å; I437-Y496 HydrophobicContact CG2-CG 4.27Å; K449-Y496 WeakPolarHBondContact CB-OH 3.33Å; K449-Y496 HydrophobicContact CG-CE2 4.49Å; K449-Y496 WeakPolarHBondContact CG-OH 3.47Å; L452-Y496 HydrophobicContact CB-CE1 4.22Å; L452-Y496 HydrophobicContact CD2-CD1 3.26Å; L452-Y496 HydrophobicContact CD2-CD2 4.08Å; L452-Y496 HydrophobicContact CD2-CE1 3.5Å; L452-Y496 VanDerWaalsContact CD2-CE1 3.5Å; L452-Y496 HydrophobicContact CD2-CE2 4.29Å; L452-Y496 HydrophobicContact CD2-CG 3.57Å; L452-Y496 HydrophobicContact CG-CD1 3.73Å; L452-Y496 HydrophobicContact CG-CE1 3.8Å; L452-Y496 HydrophobicContact CG-CG 4.48Å; D453-Y496 WeakPolarHBondContact OD1-CE1 3.44Å; L456-Y496 HydrophobicContact CD1-CD1 3.91Å; L456-Y496 HydrophobicContact CD1-CE1 4.35Å; A493-Y496 PolarHBondContact O-N 3.28Å; Y496-T498 PolarHBondContact O-N 3.12Å; Y496-K499 HydrophobicContact CD1-CD 3.9Å; Y496-K499 HydrophobicContact CE1-CD 4.13Å; Y496-K499 PolarHBondContact O-N 3.47Å; Y496-F500 WeakPolarHBondContact O-CD2 3.3Å; Y496-F500 PolarHBondContact O-N 2.97Å
497L97.7Very high96Very high1 Ų128.2 Ų28.21%0.00512%0.122CC..Hα-helixtrans-57.3-43.1171-76.9176.6000110.7F430 L433 V434 I437 F473 T490 A493 F500 I501F430-L497 HydrophobicContact CE2-CD2 4.42Å; F430-L497 HydrophobicContact CZ-CD1 4.33Å; L433-L497 HydrophobicContact CD2-CD2 3.81Å; L433-L497 HydrophobicContact CG-CD2 4.2Å; V434-L497 HydrophobicContact CG2-CD1 4.12Å; I437-L497 HydrophobicContact CD1-CD2 3.87Å; I437-L497 HydrophobicContact CD1-CG 3.99Å; F473-L497 HydrophobicContact CD1-CD1 4.49Å; F473-L497 HydrophobicContact CE1-CD1 4.43Å; T490-L497 HydrophobicContact CG2-CD1 3.76Å; A493-L497 HydrophobicContact CB-CD1 4.04Å; A493-L497 HydrophobicContact CB-CG 4.14Å; A493-L497 WeakPolarHBondContact O-CB 3.49Å; A493-L497 WeakPolarHBondContact O-CG 3.34Å; A493-L497 PolarHBondContact O-N 3.42Å; L497-F500 PolarHBondContact O-N 3.44Å; L497-I501 WeakPolarHBondContact O-CD1 3.49Å; L497-I501 VanDerWaalsContact O-CG1 3.28Å; L497-I501 WeakPolarHBondContact O-CG1 3.36Å; L497-I501 PolarHBondContact O-N 3.08Å
498T97.3Very high96Very high7 Ų730.1 Ų30.14%0.04313%0.13CC..Hα-helixtrans-69.4-40.6178.1-53.60000111.4L494 E495 Y496 F500 I501 V502 I557 V561L494-T498 WeakPolarHBondContact O-CB 3.48Å; L494-T498 PolarHBondContact O-N 2.84Å; L494-T498 PolarHBondContact O-OG1 3.04Å; E495-T498 PolarHBondContact O-N 3.3Å; Y496-T498 PolarHBondContact O-N 3.12Å; T498-F500 VanDerWaalsContact C-N 3.32Å; T498-F500 PolarHBondContact O-N 2.95Å; T498-I501 WeakPolarHBondContact O-CB 3.49Å; T498-I501 PolarHBondContact O-N 3.34Å; T498-I501 VanDerWaalsContact O-N 3.14Å; T498-V502 HydrophobicContact CG2-CG2 4.07Å; T498-V502 WeakPolarHBondContact O-CB 3.15Å; T498-V502 VanDerWaalsContact O-CG2 3.28Å; T498-V502 WeakPolarHBondContact O-CG2 3.23Å; T498-V502 PolarHBondContact O-N 2.89Å; T498-I557 HydrophobicContact CG2-CB 3.9Å; T498-I557 HydrophobicContact CG2-CD1 4.49Å; T498-I557 HydrophobicContact CG2-CG2 4.03Å; T498-I557 WeakPolarHBondContact OG1-CG2 3.35Å; T498-V561 HydrophobicContact CG2-CG2 3.6Å
499K97.4Very high96.1Very high38 Ų3830.3 Ų30.317%0.16513%0.132CC..Hα-helixtrans-56.3-43.7171.8-72.5174.2168.4175.60112.2D453 L456 E495 Y496 V502 R503D453-K499 IonicContact OD1-NZ 3.22Å; D453-K499 PolarHBondContact OD1-NZ 3.09Å; L456-K499 HydrophobicContact CD1-CB 3.8Å; L456-K499 HydrophobicContact CD1-CD 4.18Å; L456-K499 HydrophobicContact CD2-CB 4.22Å; E495-K499 WeakPolarHBondContact O-CG 3.48Å; E495-K499 PolarHBondContact O-N 3.3Å; E495-K499 IonicContact OE1-NZ 2.69Å; E495-K499 PolarHBondContact OE1-NZ 3.03Å; Y496-K499 HydrophobicContact CD1-CD 3.9Å; Y496-K499 HydrophobicContact CE1-CD 4.13Å; Y496-K499 PolarHBondContact O-N 3.47Å; K499-V502 PolarHBondContact O-N 3.4Å; K499-R503 VanDerWaalsContact O-CB 3.24Å; K499-R503 WeakPolarHBondContact O-CB 3.45Å; K499-R503 PolarHBondContact O-N 3.17Å
500F97.9Very high96.1Very high0 Ų028.8 Ų28.80%013%0.13CC..Hα-helixtrans-63.3-43.3174.2-82.9-64000112.6L412 F416 L433 I437 L452 Y455 L456 F460 L469 Y496 L497 T498 S504L412-F500 HydrophobicContact CD1-CZ 4.31Å; L412-F500 HydrophobicContact CD2-CZ 4.29Å; F416-F500 AromaticContact CE2-CD1 3.81Å; F416-F500 HydrophobicContact CE2-CD1 3.81Å; F416-F500 AromaticContact CE2-CE1 3.66Å; F416-F500 HydrophobicContact CE2-CE1 3.66Å; F416-F500 HydrophobicContact CE2-CG 4.42Å; F416-F500 HydrophobicContact CE2-CZ 4.12Å; F416-F500 HydrophobicContact CZ-CB 4.38Å; F416-F500 AromaticContact CZ-CD1 3.59Å; F416-F500 HydrophobicContact CZ-CD1 3.59Å; F416-F500 HydrophobicContact CZ-CD2 4.37Å; F416-F500 AromaticContact CZ-CE1 3.94Å; F416-F500 HydrophobicContact CZ-CE1 3.94Å; F416-F500 AromaticContact CZ-CG 3.86Å; F416-F500 HydrophobicContact CZ-CG 3.86Å; F416-F500 HydrophobicContact CZ-CZ 4.44Å; L433-F500 HydrophobicContact CD1-CE2 4.31Å; I437-F500 HydrophobicContact CD1-CD2 4.37Å; I437-F500 HydrophobicContact CD1-CE2 4.38Å; L452-F500 HydrophobicContact CD1-CE2 3.95Å; L452-F500 HydrophobicContact CD1-CZ 3.74Å; Y455-F500 AromaticContact CD1-CE1 3.91Å; Y455-F500 HydrophobicContact CD1-CE1 3.91Å; Y455-F500 HydrophobicContact CD1-CZ 4.04Å; Y455-F500 AromaticContact CE1-CE1 3.74Å; Y455-F500 HydrophobicContact CE1-CE1 3.74Å; Y455-F500 HydrophobicContact CE1-CZ 4.1Å; L456-F500 HydrophobicContact CD2-CB 4.3Å; L456-F500 HydrophobicContact CD2-CD1 3.29Å; L456-F500 HydrophobicContact CD2-CD2 4.2Å; L456-F500 HydrophobicContact CD2-CE1 3.43Å; L456-F500 VanDerWaalsContact CD2-CE1 3.43Å; L456-F500 HydrophobicContact CD2-CE2 4.34Å; L456-F500 HydrophobicContact CD2-CG 3.68Å; L456-F500 HydrophobicContact CD2-CZ 3.98Å; L456-F500 HydrophobicContact CG-CD1 4.18Å; L456-F500 HydrophobicContact CG-CE1 3.81Å; L456-F500 HydrophobicContact CG-CE2 4.47Å; L456-F500 HydrophobicContact CG-CZ 3.98Å; F460-F500 HydrophobicContact CD1-CD1 4.34Å; F460-F500 AromaticContact CD2-CD1 3.72Å; F460-F500 HydrophobicContact CD2-CD1 3.72Å; F460-F500 AromaticContact CD2-CE1 3.7Å; F460-F500 HydrophobicContact CD2-CE1 3.7Å; F460-F500 HydrophobicContact CE1-CD1 4.25Å; F460-F500 AromaticContact CE2-CD1 3.63Å; F460-F500 HydrophobicContact CE2-CD1 3.63Å; F460-F500 HydrophobicContact CE2-CE1 4.04Å; F460-F500 HydrophobicContact CG-CD1 4.06Å; F460-F500 HydrophobicContact CG-CE1 4.09Å; F460-F500 AromaticContact CZ-CD1 3.9Å; F460-F500 HydrophobicContact CZ-CD1 3.9Å; L469-F500 HydrophobicContact CD1-CB 4.33Å; Y496-F500 WeakPolarHBondContact O-CD2 3.3Å; Y496-F500 PolarHBondContact O-N 2.97Å; L497-F500 PolarHBondContact O-N 3.44Å; T498-F500 VanDerWaalsContact C-N 3.32Å; T498-F500 PolarHBondContact O-N 2.95Å; F500-S504 WeakPolarHBondContact O-CB 3.27Å; F500-S504 PolarHBondContact O-N 2.9Å
501I97.8Very high95.9Very high3 Ų335 Ų352%0.01516%0.163CC..Hα-helixtrans-60.4-49.7176.6-74.2162.2000110.9L469 I470 L497 T498 S504 R505 F521 I525L469-I501 HydrophobicContact CB-CD1 4.33Å; L469-I501 HydrophobicContact CB-CG1 4.01Å; L469-I501 HydrophobicContact CD1-CG1 4.1Å; I470-I501 HydrophobicContact CD1-CG2 3.75Å; I470-I501 HydrophobicContact CG1-CD1 3.8Å; I470-I501 HydrophobicContact CG1-CG1 4.05Å; I470-I501 HydrophobicContact CG1-CG2 3.86Å; L497-I501 WeakPolarHBondContact O-CD1 3.49Å; L497-I501 VanDerWaalsContact O-CG1 3.28Å; L497-I501 WeakPolarHBondContact O-CG1 3.36Å; L497-I501 PolarHBondContact O-N 3.08Å; T498-I501 WeakPolarHBondContact O-CB 3.49Å; T498-I501 PolarHBondContact O-N 3.34Å; T498-I501 VanDerWaalsContact O-N 3.14Å; I501-S504 WeakPolarHBondContact O-CB 3.37Å; I501-S504 PolarHBondContact O-N 3.41Å; I501-R505 PolarHBondContact O-N 2.99Å; I501-F521 HydrophobicContact CG2-CE2 3.96Å; I501-F521 HydrophobicContact CG2-CZ 4.4Å; I501-I525 HydrophobicContact CG2-CD1 4.4Å
502V97.1Very high95.7Very high7 Ų742 Ų424%0.04219%0.193CC..Hα-helixtrans-62.6-48.4180169.60000109.9T498 K499 S504 R505 E506 D560 S563 V564T498-V502 HydrophobicContact CG2-CG2 4.07Å; T498-V502 WeakPolarHBondContact O-CB 3.15Å; T498-V502 VanDerWaalsContact O-CG2 3.28Å; T498-V502 WeakPolarHBondContact O-CG2 3.23Å; T498-V502 PolarHBondContact O-N 2.89Å; K499-V502 PolarHBondContact O-N 3.4Å; V502-S504 VanDerWaalsContact C-N 3.33Å; V502-S504 PolarHBondContact O-N 3.34Å; V502-R505 WeakPolarHBondContact O-CA 3.38Å; V502-R505 WeakPolarHBondContact O-CB 3.4Å; V502-R505 PolarHBondContact O-N 3.41Å; V502-R505 VanDerWaalsContact O-N 3.12Å; V502-E506 WeakPolarHBondContact O-CG 3.29Å; V502-E506 PolarHBondContact O-N 3.24Å; V502-D560 HydrophobicContact CG2-CB 4.05Å; V502-S563 WeakPolarHBondContact CG1-OG 3.44Å; V502-V564 HydrophobicContact CB-CG2 4.42Å; V502-V564 HydrophobicContact CG1-CG1 3.96Å; V502-V564 HydrophobicContact CG1-CG2 4.12Å; V502-V564 HydrophobicContact CG2-CG2 3.87Å
503R96.6Very high95.5Very high48 Ų4837.6 Ų37.618%0.18118%0.181CC..Hα-helixtrans-62.5-40.6177.9-172.561.5173.4172-6.4112.5L456 Q457 F460 K499 R505 E506 L507L456-R503 HydrophobicContact CD2-CB 4.23Å; L456-R503 WeakPolarHBondContact O-CG 3.34Å; L456-R503 PolarHBondContact O-NE 3.12Å; L456-R503 VanDerWaalsContact O-NE 3.12Å; Q457-R503 PolarHBondContact O-NH2 3.02Å; F460-R503 HydrophobicContact CD1-CB 4.04Å; F460-R503 HydrophobicContact CD1-CG 3.58Å; F460-R503 HydrophobicContact CE1-CB 4.19Å; F460-R503 HydrophobicContact CE1-CG 4.15Å; K499-R503 VanDerWaalsContact O-CB 3.24Å; K499-R503 WeakPolarHBondContact O-CB 3.45Å; K499-R503 PolarHBondContact O-N 3.17Å; R503-R505 VanDerWaalsContact C-N 3.28Å; R503-R505 PolarHBondContact O-N 3.34Å; R503-E506 VanDerWaalsContact CD-OE2 3.22Å; R503-E506 WeakPolarHBondContact CD-OE2 3.28Å; R503-E506 IonicContact CZ-OE2 3.49Å; R503-E506 IonicContact NE-OE2 3.37Å; R503-E506 IonicContact NH1-OE2 2.96Å; R503-E506 PolarHBondContact NH1-OE2 2.95Å; R503-E506 PolarHBondContact O-N 2.85Å; R503-L507 HydrophobicContact CG-CD1 4.31Å; R503-L507 VanDerWaalsContact O-CG 3.32Å; R503-L507 WeakPolarHBondContact O-CG 3.32Å; R503-L507 PolarHBondContact O-N 3.44Å
504S97Very high94.9Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-59.6-42.1175.4-174.80000110.6A462 A463 A465 Y466 F500 I501 V502 L507 Y508A462-S504 WeakPolarHBondContact O-CB 3.38Å; A462-S504 PolarHBondContact O-OG 3.01Å; A463-S504 PolarHBondContact O-OG 3.07Å; A465-S504 PolarHBondContact N-OG 2.94Å; Y466-S504 PolarHBondContact N-OG 3.47Å; Y466-S504 VanDerWaalsContact N-OG 3.15Å; F500-S504 WeakPolarHBondContact O-CB 3.27Å; F500-S504 PolarHBondContact O-N 2.9Å; I501-S504 WeakPolarHBondContact O-CB 3.37Å; I501-S504 PolarHBondContact O-N 3.41Å; V502-S504 VanDerWaalsContact C-N 3.33Å; V502-S504 PolarHBondContact O-N 3.34Å; S504-L507 PolarHBondContact O-N 2.87Å; S504-Y508 PolarHBondContact O-N 3.39Å
505R96.2Very high94.5Very high8 Ų849.6 Ų49.63%0.0324%0.242CC..Hα-helixtrans-63.3-45.5173.7174.960.8-174.316310.4112.6I501 V502 R503 L507 Y508 V509 A516 G517 Q518 F521 V564I501-R505 PolarHBondContact O-N 2.99Å; V502-R505 WeakPolarHBondContact O-CA 3.38Å; V502-R505 WeakPolarHBondContact O-CB 3.4Å; V502-R505 PolarHBondContact O-N 3.41Å; V502-R505 VanDerWaalsContact O-N 3.12Å; R503-R505 VanDerWaalsContact C-N 3.28Å; R503-R505 PolarHBondContact O-N 3.34Å; R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 3.24Å; R505-Y508 WeakPolarHBondContact O-CB 3.32Å; R505-Y508 PolarHBondContact O-N 3.44Å; R505-V509 WeakPolarHBondContact O-CG2 3.23Å; R505-V509 PolarHBondContact O-N 3.26Å; R505-A516 VanDerWaalsContact CZ-O 3.32Å; R505-A516 PolarHBondContact NH1-O 2.82Å; R505-A516 PolarHBondContact NH2-O 3.09Å; R505-G517 PolarHBondContact NH1-O 2.86Å; R505-Q518 VanDerWaalsContact NH2-CA 3.33Å; R505-F521 HydrophobicContact CB-CD2 4.22Å; R505-F521 HydrophobicContact CB-CE1 4.43Å; R505-F521 HydrophobicContact CB-CE2 3.82Å; R505-F521 HydrophobicContact CB-CZ 3.94Å; R505-F521 HydrophobicContact CG-CD1 3.93Å; R505-F521 HydrophobicContact CG-CD2 4.14Å; R505-F521 HydrophobicContact CG-CE1 3.82Å; R505-F521 HydrophobicContact CG-CE2 4Å; R505-F521 HydrophobicContact CG-CG 4.1Å; R505-F521 HydrophobicContact CG-CZ 3.85Å; R505-V564 HydrophobicContact CG-CB 4.18Å; R505-V564 HydrophobicContact CG-CG1 4.1Å
506E95Very high94.1Very high64 Ų6448.7 Ų48.730%0.29924%0.242SC..Hα-helixtrans-59.4-42.4177-69.7-176.214800112.1V502 R503 V509 K510 V564V502-E506 WeakPolarHBondContact O-CG 3.29Å; V502-E506 PolarHBondContact O-N 3.24Å; R503-E506 VanDerWaalsContact CD-OE2 3.22Å; R503-E506 WeakPolarHBondContact CD-OE2 3.28Å; R503-E506 IonicContact CZ-OE2 3.49Å; R503-E506 IonicContact NE-OE2 3.37Å; R503-E506 IonicContact NH1-OE2 2.96Å; R503-E506 PolarHBondContact NH1-OE2 2.95Å; R503-E506 PolarHBondContact O-N 2.85Å; E506-V509 PolarHBondContact O-N 2.97Å; E506-K510 VanDerWaalsContact O-CG 3.31Å; E506-K510 WeakPolarHBondContact O-CG 3.48Å; E506-K510 PolarHBondContact O-N 3.5Å; E506-V564 HydrophobicContact CG-CG1 4.2Å
507L94.4Very high93.6Very high29 Ų2949.5 Ų49.515%0.15226%0.255CS..Hα-helixtrans-65.4-42.4176.6-69167.4000111.4F460 A463 R503 S504 R505 V509 K510 L511F460-L507 HydrophobicContact CD1-CD1 3.83Å; F460-L507 HydrophobicContact CE1-CD1 4.1Å; F460-L507 VanDerWaalsContact O-CD1 3.25Å; F460-L507 WeakPolarHBondContact O-CD1 3.27Å; A463-L507 HydrophobicContact CB-CB 3.92Å; R503-L507 HydrophobicContact CG-CD1 4.31Å; R503-L507 VanDerWaalsContact O-CG 3.32Å; R503-L507 WeakPolarHBondContact O-CG 3.32Å; R503-L507 PolarHBondContact O-N 3.44Å; S504-L507 PolarHBondContact O-N 2.87Å; R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 3.24Å; L507-V509 VanDerWaalsContact C-N 3.31Å; L507-V509 PolarHBondContact O-N 3.29Å; L507-K510 PolarHBondContact O-N 3.15Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 VanDerWaalsContact O-CG 3.31Å; L507-L511 WeakPolarHBondContact O-CG 3.47Å; L507-L511 PolarHBondContact O-N 2.7Å
508Y94.5Very high93.3Very high42 Ų4251.5 Ų51.517%0.16526%0.264CS..Hα-helixtrans-59.5-44.1174.5-171.4-92.7000111.8L464 Y466 S504 R505 L511 K512 A516L464-Y508 HydrophobicContact CD2-CD2 3.74Å; L464-Y508 HydrophobicContact CD2-CE2 3.58Å; Y466-Y508 HydrophobicContact CE1-CD2 4.4Å; Y466-Y508 HydrophobicContact CE1-CG 4.14Å; S504-Y508 PolarHBondContact O-N 3.39Å; R505-Y508 WeakPolarHBondContact O-CB 3.32Å; R505-Y508 PolarHBondContact O-N 3.44Å; Y508-L511 PolarHBondContact O-N 3.34Å; Y508-K512 HydrophobicContact CD1-CB 4.48Å; Y508-K512 HydrophobicContact CD2-CG 4.46Å; Y508-K512 HydrophobicContact CE1-CB 4.1Å; Y508-K512 HydrophobicContact CE1-CG 4.17Å; Y508-K512 HydrophobicContact CE2-CG 4Å; Y508-K512 PolarHBondContact O-N 2.68Å; Y508-A516 HydrophobicContact CE1-CB 3.93Å; Y508-A516 WeakPolarHBondContact CE1-O 3.37Å
509V93.6Very high93.1Very high42 Ų4256.8 Ų56.826%0.25529%0.288SS..Hα-helixtrans-61.3-43.1174.91610000111.3R505 E506 L507 L511 G513R505-V509 WeakPolarHBondContact O-CG2 3.23Å; R505-V509 PolarHBondContact O-N 3.26Å; E506-V509 PolarHBondContact O-N 2.97Å; L507-V509 VanDerWaalsContact C-N 3.31Å; L507-V509 PolarHBondContact O-N 3.29Å; V509-L511 VanDerWaalsContact C-N 3.3Å; V509-L511 PolarHBondContact O-N 2.89Å; V509-G513 CarbonylContact O-C 3.6Å; V509-G513 WeakPolarHBondContact O-CA 3.38Å; V509-G513 PolarHBondContact O-N 2.77Å
510K92.1Very high92.9Very high141 Ų14158.9 Ų58.961%0.61330%0.298SS*.Hα-helixtrans-62.4-35.4175.4-74.5170.4-178.2173.80112.5E506 L507E506-K510 VanDerWaalsContact O-CG 3.31Å; E506-K510 WeakPolarHBondContact O-CG 3.48Å; E506-K510 PolarHBondContact O-N 3.5Å; L507-K510 PolarHBondContact O-N 3.15Å
511L93.2Very high92.8Very high129 Ų12958.9 Ų58.968%0.67530%0.298SS*.Hα-helixtrans-83.4-37.7-177.6-70.7170.6000114.3A463 L507 Y508 V509A463-L511 HydrophobicContact CB-CD1 3.66Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 VanDerWaalsContact O-CG 3.31Å; L507-L511 WeakPolarHBondContact O-CG 3.47Å; L507-L511 PolarHBondContact O-N 2.7Å; Y508-L511 PolarHBondContact O-N 3.34Å; V509-L511 VanDerWaalsContact C-N 3.3Å; V509-L511 PolarHBondContact O-N 2.89Å
512K91.7Very high92.7Very high147 Ų14760.7 Ų60.764%0.63931%0.305SS*.Hα-helixtrans-111.7-10.5-173-64.2-65.3-173.7-178.20114Y508 A516Y508-K512 HydrophobicContact CD1-CB 4.48Å; Y508-K512 HydrophobicContact CD2-CG 4.46Å; Y508-K512 HydrophobicContact CE1-CB 4.1Å; Y508-K512 HydrophobicContact CE1-CG 4.17Å; Y508-K512 HydrophobicContact CE2-CG 4Å; Y508-K512 PolarHBondContact O-N 2.68Å; K512-A516 HydrophobicContact CB-CB 3.44Å; K512-A516 VanDerWaalsContact CB-CB 3.44Å
513G89.8Confident92.7Very high24 Ų2466.5 Ų66.525%0.24733%0.332CS..  trans105.7164.2-178.200000113.8V509 F515 A516V509-G513 CarbonylContact O-C 3.6Å; V509-G513 WeakPolarHBondContact O-CA 3.38Å; V509-G513 PolarHBondContact O-N 2.77Å; G513-F515 PolarHBondContact O-N 2.9Å; G513-A516 WeakPolarHBondContact O-CB 2.98Å; G513-A516 PolarHBondContact O-N 3.37Å
514P84.8Confident92.8Very high89 Ų8965.6 Ų65.658%0.57833%0.33SS*.THydrogen-bonded Turntrans-58-39.8-170.420-31.6000115
515F87.6Confident92.8Very high165 Ų16565.9 Ų65.972%0.72433%0.332SS*.THydrogen-bonded Turntrans-95.2-3.9-175.9-54.7-72.7000113.6G513 G517 Q518G513-F515 PolarHBondContact O-N 2.9Å; F515-G517 PolarHBondContact O-N 3.49Å; F515-Q518 PolarHBondContact O-N 2.9Å
516A87.7Confident92.9Very high25 Ų2569.1 Ų69.121%0.20734%0.344CS..THydrogen-bonded Turntrans-65.6126.4-175.200000110.8R505 Y508 K512 G513 Q518R505-A516 VanDerWaalsContact CZ-O 3.32Å; R505-A516 PolarHBondContact NH1-O 2.82Å; R505-A516 PolarHBondContact NH2-O 3.09Å; Y508-A516 HydrophobicContact CE1-CB 3.93Å; Y508-A516 WeakPolarHBondContact CE1-O 3.37Å; K512-A516 HydrophobicContact CB-CB 3.44Å; K512-A516 VanDerWaalsContact CB-CB 3.44Å; G513-A516 WeakPolarHBondContact O-CB 2.98Å; G513-A516 PolarHBondContact O-N 3.37Å; A516-Q518 PolarHBondContact O-N 2.98Å; A516-Q518 VanDerWaalsContact O-N 3.11Å
517G87.3Confident93Very high30 Ų3067 Ų6731%0.30934%0.339SS..THydrogen-bonded Turntrans61.616.8177.600000115.2R505 F515 H520 F521R505-G517 PolarHBondContact NH1-O 2.86Å; F515-G517 PolarHBondContact O-N 3.49Å; G517-H520 PolarHBondContact O-N 3.34Å; G517-F521 WeakPolarHBondContact O-CB 3.11Å; G517-F521 PolarHBondContact O-N 3Å
518Q91Very high93.1Very high43 Ų4365.9 Ų65.920%0.20133%0.333CS..Hα-helixtrans-62.8-50.4-175.5-178.1174.5-18.100112.5R505 F515 A516 H520 F521 W522R505-Q518 VanDerWaalsContact NH2-CA 3.33Å; F515-Q518 PolarHBondContact O-N 2.9Å; A516-Q518 PolarHBondContact O-N 2.98Å; A516-Q518 VanDerWaalsContact O-N 3.11Å; Q518-H520 VanDerWaalsContact C-N 3.32Å; Q518-H520 PolarHBondContact O-N 3.12Å; Q518-F521 PolarHBondContact O-N 3.2Å; Q518-W522 HydrophobicContact CG-CD2 3.92Å; Q518-W522 HydrophobicContact CG-CE3 4.29Å; Q518-W522 HydrophobicContact CG-CG 4.44Å; Q518-W522 HydrophobicContact CG-CH2 4.44Å; Q518-W522 HydrophobicContact CG-CZ2 4.02Å; Q518-W522 WeakPolarHBondContact O-CB 3.37Å; Q518-W522 PolarHBondContact O-N 2.93Å
519E92.2Very high93.2Very high118 Ų11864 Ų6455%0.55133%0.326SS*.Hα-helixtrans-59.8-41.8178.1-73.3-5613300112.3W522 E523 R526E519-W522 PolarHBondContact O-N 3.49Å; E519-E523 WeakPolarHBondContact O-CB 3.35Å; E519-E523 PolarHBondContact O-N 3.43Å; E519-R526 IonicContact OE2-NH1 2.71Å
520H94.3Very high93.4Very high82 Ų8267.5 Ų67.538%0.3834%0.342SS..Hα-helixtrans-64.6-43.8177.1-179.158000111.9G517 Q518 W522 E523 L524G517-H520 PolarHBondContact O-N 3.34Å; Q518-H520 VanDerWaalsContact C-N 3.32Å; Q518-H520 PolarHBondContact O-N 3.12Å; H520-W522 VanDerWaalsContact C-N 3.32Å; H520-W522 PolarHBondContact O-N 2.96Å; H520-E523 PolarHBondContact O-N 3.3Å; H520-L524 WeakPolarHBondContact O-CG 3.49Å; H520-L524 PolarHBondContact O-N 2.94Å
521F96Very high93.6Very high1 Ų161.1 Ų61.10%0.00432%0.315CS..Hα-helixtrans-61.2-42.5174.1175.6-107.1000111.6Y466 I470 I501 R505 G517 Q518 L524 I525 V564Y466-F521 AromaticContact CD2-CD2 3.53Å; Y466-F521 HydrophobicContact CD2-CD2 3.53Å; Y466-F521 HydrophobicContact CD2-CE2 4.13Å; Y466-F521 HydrophobicContact CE2-CB 4.1Å; Y466-F521 AromaticContact CE2-CD2 3.68Å; Y466-F521 HydrophobicContact CE2-CD2 3.68Å; Y466-F521 HydrophobicContact CE2-CG 4.37Å; Y466-F521 HydrophobicContact CG-CD2 4.14Å; Y466-F521 HydrophobicContact CG-CE2 4.39Å; I470-F521 HydrophobicContact CD1-CD2 4.15Å; I470-F521 HydrophobicContact CD1-CE2 3.92Å; I501-F521 HydrophobicContact CG2-CE2 3.96Å; I501-F521 HydrophobicContact CG2-CZ 4.4Å; R505-F521 HydrophobicContact CB-CD2 4.22Å; R505-F521 HydrophobicContact CB-CE1 4.43Å; R505-F521 HydrophobicContact CB-CE2 3.82Å; R505-F521 HydrophobicContact CB-CZ 3.94Å; R505-F521 HydrophobicContact CG-CD1 3.93Å; R505-F521 HydrophobicContact CG-CD2 4.14Å; R505-F521 HydrophobicContact CG-CE1 3.82Å; R505-F521 HydrophobicContact CG-CE2 4Å; R505-F521 HydrophobicContact CG-CG 4.1Å; R505-F521 HydrophobicContact CG-CZ 3.85Å; G517-F521 WeakPolarHBondContact O-CB 3.11Å; G517-F521 PolarHBondContact O-N 3Å; Q518-F521 PolarHBondContact O-N 3.2Å; F521-L524 WeakPolarHBondContact O-CB 3Å; F521-L524 PolarHBondContact O-N 3.08Å; F521-I525 HydrophobicContact CD1-CG1 4.42Å; F521-I525 HydrophobicContact CD2-CG1 4.47Å; F521-I525 HydrophobicContact CE1-CG1 3.94Å; F521-I525 HydrophobicContact CE2-CD1 4.18Å; F521-I525 HydrophobicContact CE2-CG1 4.03Å; F521-I525 HydrophobicContact CZ-CD1 3.96Å; F521-I525 HydrophobicContact CZ-CG1 3.73Å; F521-I525 WeakPolarHBondContact O-CG1 3.12Å; F521-I525 PolarHBondContact O-N 3.06Å; F521-V564 HydrophobicContact CE1-CB 4.06Å; F521-V564 HydrophobicContact CE1-CG2 3.8Å; F521-V564 HydrophobicContact CZ-CB 4.48Å; F521-V564 HydrophobicContact CZ-CG2 3.88Å
522W95Very high93.7Very high41 Ų4155 Ų5516%0.15528%0.283CS..Hα-helixtrans-65.8-40.3178-72.1-4.7000112.6Q518 E519 H520 L524 I525 R526 V564 F565 D566Q518-W522 HydrophobicContact CG-CD2 3.92Å; Q518-W522 HydrophobicContact CG-CE3 4.29Å; Q518-W522 HydrophobicContact CG-CG 4.44Å; Q518-W522 HydrophobicContact CG-CH2 4.44Å; Q518-W522 HydrophobicContact CG-CZ2 4.02Å; Q518-W522 WeakPolarHBondContact O-CB 3.37Å; Q518-W522 PolarHBondContact O-N 2.93Å; E519-W522 PolarHBondContact O-N 3.49Å; H520-W522 VanDerWaalsContact C-N 3.32Å; H520-W522 PolarHBondContact O-N 2.96Å; W522-L524 VanDerWaalsContact C-N 3.32Å; W522-L524 PolarHBondContact O-N 3.15Å; W522-I525 PolarHBondContact O-N 2.95Å; W522-R526 WeakPolarHBondContact O-CB 3.37Å; W522-R526 WeakPolarHBondContact O-CD 3.28Å; W522-R526 WeakPolarHBondContact O-CG 3.48Å; W522-R526 PolarHBondContact O-N 3.03Å; W522-V564 PolarHBondContact NE1-O 3.35Å; W522-F565 HydrophobicContact CB-CD2 4.41Å; W522-F565 HydrophobicContact CB-CE2 3.83Å; W522-F565 AromaticContact CD1-CD2 3.39Å; W522-F565 AromaticContact CD1-CE2 3.69Å; W522-F565 AromaticContact CG-CD2 3.97Å; W522-F565 HydrophobicContact CG-CD2 3.97Å; W522-F565 AromaticContact CG-CE2 3.79Å; W522-F565 HydrophobicContact CG-CE2 3.79Å; W522-F565 AromaticContact NE1-CD2 3.8Å; W522-D566 HydrophobicContact CH2-CB 4.48Å; W522-D566 HydrophobicContact CZ2-CB 4.47Å
523E97.3Very high93.8Very high129 Ų12948.6 Ų48.660%0.60326%0.257SS*.Hα-helixtrans-59-42.5172.8-175.5178.5-162.500111.8E519 H520 R526 G527E519-E523 WeakPolarHBondContact O-CB 3.35Å; E519-E523 PolarHBondContact O-N 3.43Å; H520-E523 PolarHBondContact O-N 3.3Å; E523-R526 PolarHBondContact O-N 3.45Å; E523-G527 PolarHBondContact O-N 2.73Å
524L98Very high94Very high28 Ų2850.4 Ų50.415%0.14726%0.263CS..Hα-helixtrans-62.8-46.9175.5-71176.8000112.1Y466 I470 P471 H520 F521 W522 G527 L528Y466-L524 HydrophobicContact CD2-CD1 4.17Å; Y466-L524 HydrophobicContact CE2-CD1 4.18Å; I470-L524 HydrophobicContact CB-CB 4.24Å; I470-L524 HydrophobicContact CD1-CB 3.87Å; I470-L524 HydrophobicContact CD1-CD1 4.3Å; I470-L524 HydrophobicContact CG2-CB 3.8Å; I470-L524 WeakPolarHBondContact CG2-O 3.32Å; P471-L524 HydrophobicContact CG-CD2 3.88Å; H520-L524 WeakPolarHBondContact O-CG 3.49Å; H520-L524 PolarHBondContact O-N 2.94Å; F521-L524 WeakPolarHBondContact O-CB 3Å; F521-L524 PolarHBondContact O-N 3.08Å; W522-L524 VanDerWaalsContact C-N 3.32Å; W522-L524 PolarHBondContact O-N 3.15Å; L524-G527 PolarHBondContact O-N 3.46Å; L524-L528 PolarHBondContact O-N 2.95Å
525I97.2Very high94.5Very high7 Ų746.3 Ų46.34%0.03624%0.236CC..Hα-helixtrans-63.7-44.5177.1-66.9-65.8000111.1I470 I501 F521 W522 G527 L528 F529 F565I470-I525 HydrophobicContact CD1-CD1 3.86Å; I470-I525 HydrophobicContact CD1-CG1 4.33Å; I501-I525 HydrophobicContact CG2-CD1 4.4Å; F521-I525 HydrophobicContact CD1-CG1 4.42Å; F521-I525 HydrophobicContact CD2-CG1 4.47Å; F521-I525 HydrophobicContact CE1-CG1 3.94Å; F521-I525 HydrophobicContact CE2-CD1 4.18Å; F521-I525 HydrophobicContact CE2-CG1 4.03Å; F521-I525 HydrophobicContact CZ-CD1 3.96Å; F521-I525 HydrophobicContact CZ-CG1 3.73Å; F521-I525 WeakPolarHBondContact O-CG1 3.12Å; F521-I525 PolarHBondContact O-N 3.06Å; W522-I525 PolarHBondContact O-N 2.95Å; I525-G527 VanDerWaalsContact C-N 3.32Å; I525-G527 PolarHBondContact O-N 2.9Å; I525-L528 PolarHBondContact O-N 3.35Å; I525-F529 HydrophobicContact CG2-CD2 3.92Å; I525-F529 HydrophobicContact CG2-CE2 4.19Å; I525-F529 WeakPolarHBondContact O-CD2 3.25Å; I525-F529 PolarHBondContact O-N 3.21Å; I525-F565 HydrophobicContact CB-CD2 3.94Å; I525-F565 HydrophobicContact CB-CE2 3.84Å; I525-F565 HydrophobicContact CG1-CD2 4.35Å; I525-F565 HydrophobicContact CG2-CD2 3.66Å; I525-F565 HydrophobicContact CG2-CE2 3.65Å; I525-F565 HydrophobicContact CG2-CG 4.3Å; I525-F565 HydrophobicContact CG2-CZ 4.28Å
526R97.3Very high94.8Very high76 Ų7638.4 Ų38.429%0.28720%0.202SC..Hα-helixtrans-55.5-48.2173.9-74.4165.6-180140.63.7111E519 W522 E523 L528 F529 L530 F565 E569E519-R526 IonicContact OE2-NH1 2.71Å; W522-R526 WeakPolarHBondContact O-CB 3.37Å; W522-R526 WeakPolarHBondContact O-CD 3.28Å; W522-R526 WeakPolarHBondContact O-CG 3.48Å; W522-R526 PolarHBondContact O-N 3.03Å; E523-R526 PolarHBondContact O-N 3.45Å; R526-L528 PolarHBondContact O-N 3.08Å; R526-F529 PolarHBondContact O-N 2.85Å; R526-L530 VanDerWaalsContact O-CB 3.3Å; R526-L530 WeakPolarHBondContact O-CB 3.16Å; R526-L530 PolarHBondContact O-N 2.85Å; R526-F565 HydrophobicContact CG-CE2 4.49Å; R526-F565 HydrophobicContact CG-CZ 4.13Å; R526-E569 IonicContact CZ-OE1 3.72Å; R526-E569 IonicContact CZ-OE2 3.87Å; R526-E569 IonicContact NE-OE1 2.74Å; R526-E569 PolarHBondContact NE-OE1 3.33Å; R526-E569 IonicContact NE-OE2 3.91Å; R526-E569 IonicContact NH2-OE1 2.91Å; R526-E569 PolarHBondContact NH2-OE1 2.78Å; R526-E569 IonicContact NH2-OE2 2.76Å; R526-E569 PolarHBondContact NH2-OE2 3.07Å
527G97.5Very high95.1Very high18 Ų1841.7 Ų41.719%0.18622%0.215CC..Hα-helixtrans-61.1-4317800000113K474 E523 L524 I525 L530 S531K474-G527 WeakPolarHBondContact CE-O 3.4Å; E523-G527 PolarHBondContact O-N 2.73Å; L524-G527 PolarHBondContact O-N 3.46Å; I525-G527 VanDerWaalsContact C-N 3.32Å; I525-G527 PolarHBondContact O-N 2.9Å; G527-L530 PolarHBondContact O-N 3.14Å; G527-S531 PolarHBondContact O-N 3.24Å; G527-S531 VanDerWaalsContact O-N 3.11Å; G527-S531 PolarHBondContact O-OG 2.79Å
528L97.2Very high95.2Very high6 Ų643.3 Ų43.33%0.03121%0.212CC..Hα-helixtrans-63.3-48.8178.1177.663.4000112I470 F473 K474 I477 L524 I525 R526 L530 S531 L532I470-L528 HydrophobicContact CG2-CB 3.93Å; I470-L528 HydrophobicContact CG2-CD2 4.23Å; F473-L528 HydrophobicContact CB-CD1 4.14Å; F473-L528 HydrophobicContact CD1-CD1 4.01Å; F473-L528 HydrophobicContact CD1-CD2 4.14Å; F473-L528 HydrophobicContact CD2-CD1 4.39Å; F473-L528 HydrophobicContact CG-CD1 3.91Å; K474-L528 HydrophobicContact CB-CD1 4.22Å; I477-L528 HydrophobicContact CD1-CD1 3.63Å; L524-L528 PolarHBondContact O-N 2.95Å; I525-L528 PolarHBondContact O-N 3.35Å; R526-L528 PolarHBondContact O-N 3.08Å; L528-L530 VanDerWaalsContact C-N 3.34Å; L528-S531 WeakPolarHBondContact O-CB 3.18Å; L528-S531 PolarHBondContact O-N 3.46Å; L528-L532 HydrophobicContact CG-CD1 4.48Å; L528-L532 PolarHBondContact O-N 3Å
529F96.5Very high95Very high4 Ų448.1 Ų48.12%0.01824%0.235CC..Hα-helixtrans-70-31179.9-91.2-91.7000113I525 R526 S531 L532 T533 I554 I557 F570 M573 L574I525-F529 HydrophobicContact CG2-CD2 3.92Å; I525-F529 HydrophobicContact CG2-CE2 4.19Å; I525-F529 WeakPolarHBondContact O-CD2 3.25Å; I525-F529 PolarHBondContact O-N 3.21Å; R526-F529 PolarHBondContact O-N 2.85Å; F529-S531 VanDerWaalsContact C-N 3.34Å; F529-L532 HydrophobicContact CD1-CD1 4.42Å; F529-L532 HydrophobicContact CE1-CD1 4.48Å; F529-L532 PolarHBondContact O-N 3.32Å; F529-T533 WeakPolarHBondContact O-CB 3.43Å; F529-T533 PolarHBondContact O-N 3.44Å; F529-T533 PolarHBondContact O-OG1 2.86Å; F529-I554 HydrophobicContact CE1-CD1 3.9Å; F529-I554 HydrophobicContact CE1-CG1 4.49Å; F529-I554 HydrophobicContact CZ-CD1 4.18Å; F529-I557 HydrophobicContact CE2-CD1 4.41Å; F529-I557 HydrophobicContact CZ-CD1 3.67Å; F529-F570 AromaticContact CE1-CE2 3.72Å; F529-F570 HydrophobicContact CE1-CE2 3.72Å; F529-F570 HydrophobicContact CE1-CZ 4.45Å; F529-F570 AromaticContact CE2-CE2 3.91Å; F529-F570 HydrophobicContact CE2-CE2 3.91Å; F529-F570 HydrophobicContact CZ-CD2 4.4Å; F529-F570 AromaticContact CZ-CE2 3.38Å; F529-F570 HydrophobicContact CZ-CE2 3.38Å; F529-F570 HydrophobicContact CZ-CZ 4.06Å; F529-M573 HydrophobicContact CB-CE 3.09Å; F529-M573 HydrophobicContact CD1-CB 4.46Å; F529-M573 HydrophobicContact CD1-CE 4.3Å; F529-M573 HydrophobicContact CD2-CE 3.9Å; F529-M573 HydrophobicContact CG-CE 3.52Å; F529-L574 HydrophobicContact CE1-CD2 3.85Å
530L96.9Very high94.8Very high114 Ų11445.1 Ų45.160%0.59723%0.225SC*.Hα-helixtrans-60.2-47.2169.7-179.961.1000110.2R526 G527 L528 T533 T534R526-L530 VanDerWaalsContact O-CB 3.3Å; R526-L530 WeakPolarHBondContact O-CB 3.16Å; R526-L530 PolarHBondContact O-N 2.85Å; G527-L530 PolarHBondContact O-N 3.14Å; L528-L530 VanDerWaalsContact C-N 3.34Å; L530-T533 PolarHBondContact O-N 2.87Å; L530-T534 PolarHBondContact O-N 2.92Å; L530-T534 PolarHBondContact O-OG1 3.44Å
531S96.5Very high94.2Very high7 Ų748.1 Ų48.15%0.04924%0.243CC..Hα-helixtrans-62-43.1174.9-65.90000112.4K474 I477 D478 G527 L528 F529 T533 T534 L535K474-S531 WeakPolarHBondContact CE-OG 3.41Å; K474-S531 WeakPolarHBondContact CG-OG 3.47Å; I477-S531 WeakPolarHBondContact CG2-O 3.26Å; D478-S531 VanDerWaalsContact OD1-CB 3.28Å; D478-S531 WeakPolarHBondContact OD1-CB 3.46Å; D478-S531 PolarHBondContact OD1-OG 3.04Å; G527-S531 PolarHBondContact O-N 3.24Å; G527-S531 VanDerWaalsContact O-N 3.11Å; G527-S531 PolarHBondContact O-OG 2.79Å; L528-S531 WeakPolarHBondContact O-CB 3.18Å; L528-S531 PolarHBondContact O-N 3.46Å; F529-S531 VanDerWaalsContact C-N 3.34Å; S531-T533 VanDerWaalsContact C-N 3.29Å; S531-T533 PolarHBondContact O-N 3.4Å; S531-T534 PolarHBondContact O-N 3.34Å; S531-L535 PolarHBondContact O-N 3.42Å
532L95.3Very high93.5Very high1 Ų152.3 Ų52.31%0.00526%0.259CS..Hα-helixtrans-60.2-38.8173.2-74.8172.2000112.4I477 L491 L528 F529 L535 M536 I554 F577I477-L532 HydrophobicContact CD1-CD2 3.56Å; I477-L532 HydrophobicContact CD1-CG 3.76Å; I477-L532 HydrophobicContact CG1-CD2 4.3Å; L491-L532 HydrophobicContact CD2-CD2 3.96Å; L528-L532 HydrophobicContact CG-CD1 4.48Å; L528-L532 PolarHBondContact O-N 3Å; F529-L532 HydrophobicContact CD1-CD1 4.42Å; F529-L532 HydrophobicContact CE1-CD1 4.48Å; F529-L532 PolarHBondContact O-N 3.32Å; L532-L535 WeakPolarHBondContact O-CB 3.27Å; L532-L535 PolarHBondContact O-N 3.39Å; L532-M536 WeakPolarHBondContact O-CG 3.18Å; L532-M536 PolarHBondContact O-N 3.26Å; L532-I554 HydrophobicContact CD1-CD1 4.03Å; L532-F577 HydrophobicContact CB-CD2 4.31Å; L532-F577 HydrophobicContact CB-CE2 4.32Å
533T94.7Very high93.1Very high13 Ų1350.3 Ų50.38%0.0825%0.252CS..Hα-helixtrans-71.6-35.3179.5-60.80000111.5F529 L530 S531 M536 N576 N580F529-T533 WeakPolarHBondContact O-CB 3.43Å; F529-T533 PolarHBondContact O-N 3.44Å; F529-T533 PolarHBondContact O-OG1 2.86Å; L530-T533 PolarHBondContact O-N 2.87Å; S531-T533 VanDerWaalsContact C-N 3.29Å; S531-T533 PolarHBondContact O-N 3.4Å; T533-M536 PolarHBondContact O-N 3.17Å; T533-N576 HydrophobicContact CG2-CB 4.17Å; T533-N580 HydrophobicContact CG2-CB 4.32Å; T533-N580 WeakPolarHBondContact CG2-ND2 3.44Å; T533-N580 PolarHBondContact O-ND2 2.76Å; T533-N580 VanDerWaalsContact O-ND2 3.16Å
534T94.6Very high92.7Very high62 Ų6247.4 Ų47.438%0.3824%0.24SC..Hα-helixtrans-67.7-39171.9-58.50000111.3L530 S531 M536 L537L530-T534 PolarHBondContact O-N 2.92Å; L530-T534 PolarHBondContact O-OG1 3.44Å; S531-T534 PolarHBondContact O-N 3.34Å; T534-M536 PolarHBondContact O-N 3.12Å; T534-L537 WeakPolarHBondContact O-CB 3.15Å; T534-L537 PolarHBondContact O-N 2.73Å
535L94.5Very high92.4Very high2 Ų251.9 Ų51.91%0.0126%0.263CS..Hα-helixtrans-54.7-36.7175.1177.267.2000111.7I477 V480 L487 L491 S531 L532 L537 Y538 C546 Q547I477-L535 HydrophobicContact CG2-CB 4.06Å; I477-L535 HydrophobicContact CG2-CD2 4.47Å; V480-L535 HydrophobicContact CB-CD1 4.43Å; V480-L535 HydrophobicContact CG1-CD1 4.14Å; V480-L535 HydrophobicContact CG2-CD1 4.14Å; L487-L535 HydrophobicContact CD2-CD1 4.16Å; L487-L535 HydrophobicContact CD2-CD2 3.99Å; L491-L535 HydrophobicContact CD1-CD2 4.26Å; S531-L535 PolarHBondContact O-N 3.42Å; L532-L535 WeakPolarHBondContact O-CB 3.27Å; L532-L535 PolarHBondContact O-N 3.39Å; L535-L537 VanDerWaalsContact C-N 3.26Å; L535-L537 PolarHBondContact O-N 3.23Å; L535-Y538 WeakPolarHBondContact O-CD2 3.45Å; L535-Y538 PolarHBondContact O-N 2.96Å; L535-C546 HydrophobicContact CD2-CB 4.44Å; L535-Q547 HydrophobicContact CG-CG 4.36Å; L535-Q547 PolarHBondContact O-NE2 3.45Å
536M94.6Very high92.2Very high0 Ų051.6 Ų51.60%026%0.262CS..THydrogen-bonded Turntrans-69.7-18.9179.8-58.6-44.9-67.700114L532 T533 T534 Q547 A550 L551 F577 N580 V581 P582L532-M536 WeakPolarHBondContact O-CG 3.18Å; L532-M536 PolarHBondContact O-N 3.26Å; T533-M536 PolarHBondContact O-N 3.17Å; T534-M536 PolarHBondContact O-N 3.12Å; M536-Q547 HydrophobicContact CE-CB 3.77Å; M536-Q547 HydrophobicContact CE-CG 4.07Å; M536-Q547 PolarHBondContact O-NE2 2.87Å; M536-Q547 HydrophobicContact SD-CB 4.06Å; M536-Q547 HydrophobicContact SD-CG 3.94Å; M536-A550 HydrophobicContact SD-CB 4.19Å; M536-L551 HydrophobicContact CE-CD1 3.72Å; M536-L551 HydrophobicContact CE-CD2 4.1Å; M536-L551 HydrophobicContact CE-CG 3.65Å; M536-F577 HydrophobicContact CE-CZ 4.33Å; M536-F577 HydrophobicContact CG-CD2 3.65Å; M536-F577 HydrophobicContact CG-CE2 3.34Å; M536-F577 HydrophobicContact CG-CG 4.39Å; M536-F577 HydrophobicContact CG-CZ 3.86Å; M536-F577 HydrophobicContact SD-CE2 3.62Å; M536-F577 HydrophobicContact SD-CZ 3.73Å; M536-N580 CarbonylContact C-O 3.54Å; M536-N580 HydrophobicContact CB-CB 4.09Å; M536-N580 VanDerWaalsContact O-O 3.04Å; M536-V581 HydrophobicContact CB-CG2 4.25Å; M536-V581 HydrophobicContact CE-CG1 4.45Å; M536-V581 HydrophobicContact CE-CG2 3.49Å; M536-V581 VanDerWaalsContact CE-CG2 3.49Å; M536-V581 HydrophobicContact CG-CG2 4.37Å; M536-P582 WeakPolarHBondContact O-CD 3.27Å
537L92.2Very high92.1Very high93 Ų9348 Ų4849%0.48725%0.249SC..THydrogen-bonded Turntrans-77.3-19.1178.8-67.9171.6000113.8T534 L535 Q539 N580T534-L537 WeakPolarHBondContact O-CB 3.15Å; T534-L537 PolarHBondContact O-N 2.73Å; L535-L537 VanDerWaalsContact C-N 3.26Å; L535-L537 PolarHBondContact O-N 3.23Å; L537-Q539 PolarHBondContact O-N 3.33Å; L537-N580 HydrophobicContact CD2-CB 3.75Å; L537-N580 HydrophobicContact CG-CB 4.05Å; L537-N580 WeakPolarHBondContact CG-ND2 3.5Å
538Y89.6Confident91.9Very high65 Ų6547.9 Ų47.926%0.25525%0.247SC..  trans-63.3137.2179.9-76.1-94.3000111E481 L535 W542 Q547 R585E481-Y538 WeakPolarHBondContact OE1-CE1 3.18Å; L535-Y538 WeakPolarHBondContact O-CD2 3.45Å; L535-Y538 PolarHBondContact O-N 2.96Å; Y538-W542 AromaticContact CD1-CH2 3.77Å; Y538-W542 HydrophobicContact CD1-CH2 3.77Å; Y538-W542 AromaticContact CD1-CZ2 3.74Å; Y538-W542 HydrophobicContact CD1-CZ2 3.74Å; Y538-W542 AromaticContact CE1-CH2 3.89Å; Y538-W542 HydrophobicContact CE1-CH2 3.89Å; Y538-W542 AromaticContact CE1-CZ2 3.88Å; Y538-W542 HydrophobicContact CE1-CZ2 3.88Å; Y538-W542 HydrophobicContact CG-CH2 4.23Å; Y538-Q547 PolarHBondContact O-NE2 2.97Å; Y538-R585 PolarHBondContact O-NH1 3.39Å
539Q88.2Confident91.8Very high143 Ų14348 Ų4867%0.66825%0.249SC*.  trans-111.58.7176.7-64.1-177.54.400112.7L537 P582L537-Q539 PolarHBondContact O-N 3.33Å; Q539-P582 HydrophobicContact CG-CG 4.11Å
540T86.5Confident91.8Very high56 Ų5647.8 Ų47.834%0.34425%0.248SC..SBendtrans-82.4143.8-177.653.90000112.4W542 S543 R585T540-W542 VanDerWaalsContact C-N 3.29Å; T540-W542 PolarHBondContact O-N 3.48Å; T540-W542 WeakPolarHBondContact OG1-CZ2 3.07Å; T540-W542 PolarHBondContact OG1-NE1 3.4Å; T540-S543 PolarHBondContact O-N 2.69Å; T540-S543 PolarHBondContact O-OG 3.13Å; T540-S543 PolarHBondContact OG1-OG 3.17Å; T540-R585 PolarHBondContact O-NH2 2.98Å
541D82.8Confident91.8Very high144 Ų14442.4 Ų42.477%0.7722%0.22SC*.G310 helixtrans-56.7-37.7-178.1-68.7-25.8000114.2S543 L544D541-S543 PolarHBondContact O-N 3.34Å; D541-L544 WeakPolarHBondContact O-CB 3.15Å; D541-L544 PolarHBondContact O-N 3.43Å; D541-L544 VanDerWaalsContact O-N 3.14Å
542W81.2Confident91.7Very high89 Ų8947.8 Ų47.834%0.33724%0.242SC..G310 helixtrans-63.7-26.4-179.765-105.5000113.1V480 E481 Y538 T540 L544V480-W542 HydrophobicContact CB-CH2 4.29Å; V480-W542 HydrophobicContact CB-CZ3 3.98Å; V480-W542 HydrophobicContact CG1-CH2 3.41Å; V480-W542 VanDerWaalsContact CG1-CH2 3.41Å; V480-W542 HydrophobicContact CG1-CZ3 3.58Å; V480-W542 HydrophobicContact CG2-CE3 4.18Å; V480-W542 HydrophobicContact CG2-CH2 4.16Å; V480-W542 HydrophobicContact CG2-CZ3 3.37Å; E481-W542 HydrophobicContact CB-CZ2 4.46Å; E481-W542 HydrophobicContact CG-CH2 3.86Å; E481-W542 HydrophobicContact CG-CZ2 3.45Å; E481-W542 VanDerWaalsContact CG-CZ2 3.45Å; Y538-W542 AromaticContact CD1-CH2 3.77Å; Y538-W542 HydrophobicContact CD1-CH2 3.77Å; Y538-W542 AromaticContact CD1-CZ2 3.74Å; Y538-W542 HydrophobicContact CD1-CZ2 3.74Å; Y538-W542 AromaticContact CE1-CH2 3.89Å; Y538-W542 HydrophobicContact CE1-CH2 3.89Å; Y538-W542 AromaticContact CE1-CZ2 3.88Å; Y538-W542 HydrophobicContact CE1-CZ2 3.88Å; Y538-W542 HydrophobicContact CG-CH2 4.23Å; T540-W542 VanDerWaalsContact C-N 3.29Å; T540-W542 PolarHBondContact O-N 3.48Å; T540-W542 WeakPolarHBondContact OG1-CZ2 3.07Å; T540-W542 PolarHBondContact OG1-NE1 3.4Å; W542-L544 VanDerWaalsContact C-N 3.32Å
543S87.1Confident91.7Very high0 Ų050 Ų500%025%0.251CS..G310 helixtrans-79-16.8179.8660000112.9T540 D541 L545 C546 Q547 R585T540-S543 PolarHBondContact O-N 2.69Å; T540-S543 PolarHBondContact O-OG 3.13Å; T540-S543 PolarHBondContact OG1-OG 3.17Å; D541-S543 PolarHBondContact O-N 3.34Å; S543-L545 PolarHBondContact O-N 3.28Å; S543-C546 PolarHBondContact O-N 2.91Å; S543-C546 VanDerWaalsContact O-N 3.09Å; S543-Q547 WeakPolarHBondContact O-CG 3.43Å; S543-Q547 PolarHBondContact O-N 3.39Å; S543-R585 PolarHBondContact OG-NH1 3.46Å
544L89.3Confident91.7Very high68 Ų6849.3 Ų49.336%0.35625%0.247SC..Hα-helixtrans-56.3-48.1-169.5-171.669000112.8D541 W542 C546 Q547 G548 R585 L586D541-L544 WeakPolarHBondContact O-CB 3.15Å; D541-L544 PolarHBondContact O-N 3.43Å; D541-L544 VanDerWaalsContact O-N 3.14Å; W542-L544 VanDerWaalsContact C-N 3.32Å; L544-C546 VanDerWaalsContact C-N 3.34Å; L544-C546 PolarHBondContact O-N 3.21Å; L544-Q547 PolarHBondContact O-N 3.47Å; L544-G548 PolarHBondContact O-N 2.87Å; L544-R585 HydrophobicContact CD1-CG 4.22Å; L544-L586 HydrophobicContact CD1-CD1 4.15Å; L544-L586 HydrophobicContact CD1-CD2 3.83Å; L544-L586 HydrophobicContact CD1-CG 3.82Å; L544-L586 HydrophobicContact CG-CD2 4.45Å
545L90.6Very high91.6Very high121 Ų12147 Ų4763%0.63423%0.233SC*.Hα-helixtrans-66.8-36.8-179.4-67.8176.8000112L488 S543 A549L488-L545 HydrophobicContact CD1-CB 4.27Å; L488-L545 WeakPolarHBondContact CD1-O 3.46Å; L488-L545 HydrophobicContact CD2-CB 4.24Å; L488-L545 HydrophobicContact CD2-CD1 4.39Å; S543-L545 PolarHBondContact O-N 3.28Å; L545-A549 WeakPolarHBondContact O-CB 3.33Å; L545-A549 PolarHBondContact O-N 2.97Å
546C94Very high91.5Very high2 Ų251 Ų511%0.01425%0.251CS..Hα-helixtrans-69.4-46.1178-65.10000110.6S484 L487 L491 L535 S543 L544 G548 A549 A550S484-C546 PolarHBondContact O-SG 3.05Å; S484-C546 VanDerWaalsContact O-SG 3.36Å; L487-C546 HydrophobicContact CD2-CB 4.13Å; L491-C546 HydrophobicContact CD1-CB 3.93Å; L491-C546 VanDerWaalsContact CD1-O 3.22Å; L491-C546 WeakPolarHBondContact CD1-O 3.47Å; L535-C546 HydrophobicContact CD2-CB 4.44Å; S543-C546 PolarHBondContact O-N 2.91Å; S543-C546 VanDerWaalsContact O-N 3.09Å; L544-C546 VanDerWaalsContact C-N 3.34Å; L544-C546 PolarHBondContact O-N 3.21Å; C546-G548 PolarHBondContact O-N 2.92Å; C546-A549 PolarHBondContact O-N 3.5Å; C546-A550 WeakPolarHBondContact O-CB 3.14Å; C546-A550 PolarHBondContact O-N 2.9Å
547Q94.6Very high91.5Very high0 Ų051.1 Ų51.10%025%0.252CS..Hα-helixtrans-60.8-43.9175.3-72.2-177.8-13.600112.2L535 M536 Y538 S543 L544 A549 A550 L551 R585 L586L535-Q547 HydrophobicContact CG-CG 4.36Å; L535-Q547 PolarHBondContact O-NE2 3.45Å; M536-Q547 HydrophobicContact CE-CB 3.77Å; M536-Q547 HydrophobicContact CE-CG 4.07Å; M536-Q547 PolarHBondContact O-NE2 2.87Å; M536-Q547 HydrophobicContact SD-CB 4.06Å; M536-Q547 HydrophobicContact SD-CG 3.94Å; Y538-Q547 PolarHBondContact O-NE2 2.97Å; S543-Q547 WeakPolarHBondContact O-CG 3.43Å; S543-Q547 PolarHBondContact O-N 3.39Å; L544-Q547 PolarHBondContact O-N 3.47Å; Q547-A549 VanDerWaalsContact C-N 3.34Å; Q547-A549 PolarHBondContact O-N 3.38Å; Q547-A550 PolarHBondContact O-N 3.06Å; Q547-L551 WeakPolarHBondContact O-CG 3.23Å; Q547-L551 PolarHBondContact O-N 2.94Å; Q547-R585 VanDerWaalsContact CD-NH1 3.25Å; Q547-L586 HydrophobicContact CB-CD1 3.49Å; Q547-L586 VanDerWaalsContact CB-CD1 3.49Å
548G94.2Very high91.4Very high15 Ų1546.8 Ų46.816%0.15523%0.229CC..Hα-helixtrans-61.8-40.1175.200000112.6L544 C546 K552L544-G548 PolarHBondContact O-N 2.87Å; C546-G548 PolarHBondContact O-N 2.92Å; G548-K552 WeakPolarHBondContact O-CB 3.32Å; G548-K552 PolarHBondContact O-N 3.05Å
549A94.6Very high91.3Very high8 Ų847.2 Ų47.27%0.06624%0.242CC..Hα-helixtrans-66.5-42.7173.900000112L488 L491 L545 C546 Q547 L551 K552 Y553L488-A549 HydrophobicContact CD1-CB 3.65Å; L491-A549 HydrophobicContact CB-CB 4Å; L491-A549 HydrophobicContact CD1-CB 4.36Å; L545-A549 WeakPolarHBondContact O-CB 3.33Å; L545-A549 PolarHBondContact O-N 2.97Å; C546-A549 PolarHBondContact O-N 3.5Å; Q547-A549 VanDerWaalsContact C-N 3.34Å; Q547-A549 PolarHBondContact O-N 3.38Å; A549-L551 PolarHBondContact O-N 3.47Å; A549-K552 PolarHBondContact O-N 3.41Å; A549-Y553 HydrophobicContact CB-CD2 4.39Å; A549-Y553 WeakPolarHBondContact O-CD2 3.37Å; A549-Y553 PolarHBondContact O-N 3.29Å
550A96.6Very high91.5Very high1 Ų142.3 Ų42.31%0.00822%0.221CC..Hα-helixtrans-58.1-48.8176.100000111L491 M536 C546 Q547 K552 Y553 I554 F577L491-A550 HydrophobicContact CD1-CB 4.32Å; L491-A550 HydrophobicContact CD2-CB 4.19Å; M536-A550 HydrophobicContact SD-CB 4.19Å; C546-A550 WeakPolarHBondContact O-CB 3.14Å; C546-A550 PolarHBondContact O-N 2.9Å; Q547-A550 PolarHBondContact O-N 3.06Å; A550-K552 VanDerWaalsContact C-N 3.31Å; A550-K552 PolarHBondContact O-N 3.32Å; A550-Y553 PolarHBondContact O-N 3.18Å; A550-I554 WeakPolarHBondContact O-CB 3.23Å; A550-I554 WeakPolarHBondContact O-CG2 3.19Å; A550-I554 PolarHBondContact O-N 2.9Å; A550-F577 HydrophobicContact CB-CE2 4.31Å; A550-F577 HydrophobicContact CB-CZ 3.98Å
551L95.7Very high91.9Very high1 Ų139.8 Ų39.81%0.00521%0.205CC..Hα-helixtrans-59.9-39.2176.5-74.2166.4000112.8M536 Q547 A549 P555 F577 I578 V581 L586 Q589 C593M536-L551 HydrophobicContact CE-CD1 3.72Å; M536-L551 HydrophobicContact CE-CD2 4.1Å; M536-L551 HydrophobicContact CE-CG 3.65Å; Q547-L551 WeakPolarHBondContact O-CG 3.23Å; Q547-L551 PolarHBondContact O-N 2.94Å; A549-L551 PolarHBondContact O-N 3.47Å; L551-P555 WeakPolarHBondContact O-CD 3.45Å; L551-F577 HydrophobicContact CD2-CE1 3.77Å; L551-F577 HydrophobicContact CD2-CZ 4.29Å; L551-F577 HydrophobicContact CG-CE1 4.5Å; L551-I578 HydrophobicContact CD2-CD1 3.88Å; L551-V581 HydrophobicContact CD1-CG1 4.48Å; L551-V581 HydrophobicContact CD1-CG2 4.47Å; L551-V581 HydrophobicContact CD2-CG2 4.12Å; L551-L586 HydrophobicContact CD1-CB 4.11Å; L551-L586 HydrophobicContact CD1-CD1 4.15Å; L551-Q589 HydrophobicContact CD1-CB 4.12Å; L551-C593 HydrophobicContact CB-CB 4.26Å; L551-C593 HydrophobicContact CD2-CB 3.97Å; L551-C593 WeakPolarHBondContact O-CB 3.33Å; L551-C593 PolarHBondContact O-SG 3.04Å
552K95.1Very high92.2Very high119 Ų11934 Ų3452%0.51717%0.174SC..Hα-helixtrans-68.9-42.7179.3-177.6177.6179.1-179.70113G548 A549 A550 P555G548-K552 WeakPolarHBondContact O-CB 3.32Å; G548-K552 PolarHBondContact O-N 3.05Å; A549-K552 PolarHBondContact O-N 3.41Å; A550-K552 VanDerWaalsContact C-N 3.31Å; A550-K552 PolarHBondContact O-N 3.32Å; K552-P555 WeakPolarHBondContact O-CD 3.5Å
553Y95.2Very high92.6Very high47 Ų4733 Ų3318%0.18418%0.181CC..Hα-helixtrans-97.8-17-170.6-66-74.9000114.5L491 K492 A549 A550 H556L491-Y553 WeakPolarHBondContact O-CD2 3.3Å; K492-Y553 HydrophobicContact CB-CE2 4.13Å; K492-Y553 HydrophobicContact CG-CE2 3.69Å; A549-Y553 HydrophobicContact CB-CD2 4.39Å; A549-Y553 WeakPolarHBondContact O-CD2 3.37Å; A549-Y553 PolarHBondContact O-N 3.29Å; A550-Y553 PolarHBondContact O-N 3.18Å; Y553-H556 AromaticContact CD1-CD2 3.91Å; Y553-H556 PolarHBondContact O-N 3.38Å
554I94.4Very high92.8Very high0 Ų034.3 Ų34.30%019%0.189CC..G310 helixtrans-60.4-32.7178.4-156.776.9000114.3L494 F529 L532 A550 H556 I557 L574 F577 C593 F597L494-I554 HydrophobicContact CD2-CD1 4.11Å; F529-I554 HydrophobicContact CE1-CD1 3.9Å; F529-I554 HydrophobicContact CE1-CG1 4.49Å; F529-I554 HydrophobicContact CZ-CD1 4.18Å; L532-I554 HydrophobicContact CD1-CD1 4.03Å; A550-I554 WeakPolarHBondContact O-CB 3.23Å; A550-I554 WeakPolarHBondContact O-CG2 3.19Å; A550-I554 PolarHBondContact O-N 2.9Å; I554-H556 VanDerWaalsContact C-N 3.27Å; I554-H556 PolarHBondContact O-N 3.36Å; I554-I557 HydrophobicContact CD1-CD1 3.69Å; I554-I557 HydrophobicContact CD1-CG1 4.23Å; I554-I557 HydrophobicContact CG1-CD1 4.41Å; I554-I557 HydrophobicContact CG1-CG1 4.49Å; I554-I557 WeakPolarHBondContact O-CG1 3.23Å; I554-I557 PolarHBondContact O-N 2.82Å; I554-L574 HydrophobicContact CG1-CD2 4.04Å; I554-F577 HydrophobicContact CB-CE1 4.38Å; I554-F577 HydrophobicContact CG1-CE1 4.47Å; I554-F577 HydrophobicContact CG2-CD1 4.41Å; I554-F577 HydrophobicContact CG2-CE1 3.72Å; I554-F577 HydrophobicContact CG2-CZ 4.26Å; I554-C593 VanDerWaalsContact CG2-SG 3.59Å; I554-F597 HydrophobicContact CG2-CE1 4.2Å; I554-F597 HydrophobicContact CG2-CZ 3.66Å
555P92Very high93Very high12 Ų1231.6 Ų31.68%0.07817%0.174CC..G310 helixtrans-66.1-30.4178.2-21.836.4000113L551 K552 I557 V558 D596 F597L551-P555 WeakPolarHBondContact O-CD 3.45Å; K552-P555 WeakPolarHBondContact O-CD 3.5Å; P555-I557 PolarHBondContact O-N 2.94Å; P555-V558 WeakPolarHBondContact O-CB 3.46Å; P555-V558 WeakPolarHBondContact O-CG2 3.46Å; P555-V558 PolarHBondContact O-N 3.26Å; P555-D596 HydrophobicContact CB-CB 3.55Å; P555-D596 HydrophobicContact CG-CB 3.67Å; P555-F597 HydrophobicContact CB-CD1 4.14Å; P555-F597 HydrophobicContact CB-CE1 4.14Å; P555-F597 HydrophobicContact CG-CD1 4.35Å; P555-F597 HydrophobicContact CG-CE1 4.14Å
556H92.7Very high92.9Very high87 Ų8729 Ų2940%0.40316%0.161SC..G310 helixtrans-69.3-19.6-177-57.4-51.5000113.7E495 Y553 I554E495-H556 HydrophobicContact CB-CB 4.23Å; E495-H556 HydrophobicContact CG-CB 3.96Å; Y553-H556 AromaticContact CD1-CD2 3.91Å; Y553-H556 PolarHBondContact O-N 3.38Å; I554-H556 VanDerWaalsContact C-N 3.27Å; I554-H556 PolarHBondContact O-N 3.36Å
557I94.3Very high92.4Very high2 Ų232.1 Ų32.11%0.0118%0.175CC..G310 helixtrans-92.5-7-179.963.9158.2000113.7L494 T498 F529 I554 P555 S559 D560 V561L494-I557 HydrophobicContact CD1-CD1 4.33Å; L494-I557 HydrophobicContact CD1-CG2 4.25Å; L494-I557 HydrophobicContact CG-CG2 3.87Å; T498-I557 HydrophobicContact CG2-CB 3.9Å; T498-I557 HydrophobicContact CG2-CD1 4.49Å; T498-I557 HydrophobicContact CG2-CG2 4.03Å; T498-I557 WeakPolarHBondContact OG1-CG2 3.35Å; F529-I557 HydrophobicContact CE2-CD1 4.41Å; F529-I557 HydrophobicContact CZ-CD1 3.67Å; I554-I557 HydrophobicContact CD1-CD1 3.69Å; I554-I557 HydrophobicContact CD1-CG1 4.23Å; I554-I557 HydrophobicContact CG1-CD1 4.41Å; I554-I557 HydrophobicContact CG1-CG1 4.49Å; I554-I557 WeakPolarHBondContact O-CG1 3.23Å; I554-I557 PolarHBondContact O-N 2.82Å; P555-I557 PolarHBondContact O-N 2.94Å; I557-S559 PolarHBondContact O-N 3.26Å; I557-D560 PolarHBondContact O-N 2.77Å; I557-V561 HydrophobicContact CB-CG2 4.43Å; I557-V561 HydrophobicContact CD1-CG2 4.24Å; I557-V561 WeakPolarHBondContact O-CG2 3.33Å; I557-V561 PolarHBondContact O-N 3.17Å
558V90.4Very high91.9Very high2 Ų241.3 Ų41.31%0.01221%0.21CC..Hα-helixtrans-60.9-46.1-170.9169.80000111.5P555 L562 F570 L574 F597 M602P555-V558 WeakPolarHBondContact O-CB 3.46Å; P555-V558 WeakPolarHBondContact O-CG2 3.46Å; P555-V558 PolarHBondContact O-N 3.26Å; V558-L562 HydrophobicContact CG1-CD1 3.85Å; V558-L562 HydrophobicContact CG1-CG 4.46Å; V558-L562 WeakPolarHBondContact O-CB 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.38Å; V558-L562 PolarHBondContact O-N 3.49Å; V558-L562 VanDerWaalsContact O-N 3.1Å; V558-F570 HydrophobicContact CB-CE1 4.37Å; V558-F570 HydrophobicContact CG1-CE1 4.21Å; V558-F570 HydrophobicContact CG2-CE1 4.33Å; V558-L574 HydrophobicContact CG2-CD1 4.1Å; V558-F597 HydrophobicContact CG2-CD1 3.96Å; V558-F597 HydrophobicContact CG2-CE1 3.62Å; V558-M602 HydrophobicContact CG1-CB 3.62Å; V558-M602 HydrophobicContact CG1-CE 4.42Å; V558-M602 HydrophobicContact CG1-CG 4.41Å; V558-M602 HydrophobicContact CG1-SD 4.31Å
559S88.9Confident91.7Very high75 Ų7543.4 Ų43.452%0.52422%0.215SC..Hα-helixtrans-63.9-42.9-179.4-174.60000111.9I557I557-S559 PolarHBondContact O-N 3.26Å
560D92.1Very high91.5Very high40 Ų4043 Ų4321%0.21421%0.212CC..Hα-helixtrans-68.4-45.5-178.3-60.5-62000111.4V502 I557 L562 S563V502-D560 HydrophobicContact CG2-CB 4.05Å; I557-D560 PolarHBondContact O-N 2.77Å; D560-L562 PolarHBondContact O-N 3.35Å; D560-S563 WeakPolarHBondContact O-CB 3.47Å; D560-S563 PolarHBondContact O-N 3.03Å; D560-S563 PolarHBondContact O-OG 3.25Å
561V93.3Very high90.9Very high3 Ų343.1 Ų43.12%0.01821%0.213CC..Hα-helixtrans-66.7-38.5-179.6176.80000111.8T498 I557 S563 V564 F565 F570T498-V561 HydrophobicContact CG2-CG2 3.6Å; I557-V561 HydrophobicContact CB-CG2 4.43Å; I557-V561 HydrophobicContact CD1-CG2 4.24Å; I557-V561 WeakPolarHBondContact O-CG2 3.33Å; I557-V561 PolarHBondContact O-N 3.17Å; V561-S563 PolarHBondContact O-N 3.18Å; V561-S563 VanDerWaalsContact O-N 3.08Å; V561-V564 PolarHBondContact O-N 2.94Å; V561-F565 HydrophobicContact CG1-CB 3.85Å; V561-F565 HydrophobicContact CG1-CG 4.46Å; V561-F565 WeakPolarHBondContact O-CB 3.48Å; V561-F565 PolarHBondContact O-N 3.03Å; V561-F570 HydrophobicContact CB-CE1 4.07Å; V561-F570 HydrophobicContact CB-CE2 4.11Å; V561-F570 HydrophobicContact CB-CZ 3.77Å; V561-F570 HydrophobicContact CG1-CD1 4.33Å; V561-F570 HydrophobicContact CG1-CD2 3.79Å; V561-F570 HydrophobicContact CG1-CE1 4.12Å; V561-F570 HydrophobicContact CG1-CE2 3.58Å; V561-F570 HydrophobicContact CG1-CG 4.17Å; V561-F570 HydrophobicContact CG1-CZ 3.76Å; V561-F570 HydrophobicContact CG2-CZ 4.28Å
562L90.1Very high90.5Very high22 Ų2246.1 Ų46.112%0.11523%0.234CC..THydrogen-bonded Turntrans-60.9-17.2176.3-77.2175.9000113.6V558 D560 Q567 F570 M602V558-L562 HydrophobicContact CG1-CD1 3.85Å; V558-L562 HydrophobicContact CG1-CG 4.46Å; V558-L562 WeakPolarHBondContact O-CB 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.38Å; V558-L562 PolarHBondContact O-N 3.49Å; V558-L562 VanDerWaalsContact O-N 3.1Å; D560-L562 PolarHBondContact O-N 3.35Å; L562-Q567 HydrophobicContact CD2-CB 3.9Å; L562-Q567 HydrophobicContact CD2-CG 3.78Å; L562-F570 HydrophobicContact CD2-CD1 3.73Å; L562-F570 HydrophobicContact CD2-CE1 4.5Å; L562-F570 HydrophobicContact CG-CD1 3.95Å; L562-F570 HydrophobicContact CG-CE1 4.23Å; L562-M602 HydrophobicContact CD1-CB 4.05Å; L562-M602 HydrophobicContact CD1-CG 4.41Å
563S90.5Very high90.3Very high69 Ų6941.6 Ų41.648%0.48322%0.215SC..THydrogen-bonded Turntrans-77.1-20.9175.7760000113.7V502 D560 V561V502-S563 WeakPolarHBondContact CG1-OG 3.44Å; D560-S563 WeakPolarHBondContact O-CB 3.47Å; D560-S563 PolarHBondContact O-N 3.03Å; D560-S563 PolarHBondContact O-OG 3.25Å; V561-S563 PolarHBondContact O-N 3.18Å; V561-S563 VanDerWaalsContact O-N 3.08Å
564V91.3Very high90Very high27 Ų2739.6 Ų39.616%0.16421%0.208CC..THydrogen-bonded Turntrans-130.7-1.9-172-67.30000114.8V502 R505 E506 F521 W522 V561V502-V564 HydrophobicContact CB-CG2 4.42Å; V502-V564 HydrophobicContact CG1-CG1 3.96Å; V502-V564 HydrophobicContact CG1-CG2 4.12Å; V502-V564 HydrophobicContact CG2-CG2 3.87Å; R505-V564 HydrophobicContact CG-CB 4.18Å; R505-V564 HydrophobicContact CG-CG1 4.1Å; E506-V564 HydrophobicContact CG-CG1 4.2Å; F521-V564 HydrophobicContact CE1-CB 4.06Å; F521-V564 HydrophobicContact CE1-CG2 3.8Å; F521-V564 HydrophobicContact CZ-CB 4.48Å; F521-V564 HydrophobicContact CZ-CG2 3.88Å; W522-V564 PolarHBondContact NE1-O 3.35Å; V561-V564 PolarHBondContact O-N 2.94Å
565F92.1Very high89.6Confident11 Ų1140 Ų405%0.04821%0.211CC..SBendtrans-132.2156.3-176.3-163.2-87.4000112.2W522 I525 R526 V561 Q567 E569 F570 M573W522-F565 HydrophobicContact CB-CD2 4.41Å; W522-F565 HydrophobicContact CB-CE2 3.83Å; W522-F565 AromaticContact CD1-CD2 3.39Å; W522-F565 AromaticContact CD1-CE2 3.69Å; W522-F565 AromaticContact CG-CD2 3.97Å; W522-F565 HydrophobicContact CG-CD2 3.97Å; W522-F565 AromaticContact CG-CE2 3.79Å; W522-F565 HydrophobicContact CG-CE2 3.79Å; W522-F565 AromaticContact NE1-CD2 3.8Å; I525-F565 HydrophobicContact CB-CD2 3.94Å; I525-F565 HydrophobicContact CB-CE2 3.84Å; I525-F565 HydrophobicContact CG1-CD2 4.35Å; I525-F565 HydrophobicContact CG2-CD2 3.66Å; I525-F565 HydrophobicContact CG2-CE2 3.65Å; I525-F565 HydrophobicContact CG2-CG 4.3Å; I525-F565 HydrophobicContact CG2-CZ 4.28Å; R526-F565 HydrophobicContact CG-CE2 4.49Å; R526-F565 HydrophobicContact CG-CZ 4.13Å; V561-F565 HydrophobicContact CG1-CB 3.85Å; V561-F565 HydrophobicContact CG1-CG 4.46Å; V561-F565 WeakPolarHBondContact O-CB 3.48Å; V561-F565 PolarHBondContact O-N 3.03Å; F565-Q567 PolarHBondContact O-N 2.86Å; F565-E569 HydrophobicContact CE1-CB 3.92Å; F565-E569 HydrophobicContact CE1-CG 3.88Å; F565-E569 HydrophobicContact CZ-CG 4.21Å; F565-F570 HydrophobicContact CD1-CB 3.93Å; F565-F570 HydrophobicContact CE1-CB 4.36Å; F565-M573 HydrophobicContact CE1-SD 4Å; F565-M573 HydrophobicContact CZ-SD 4.07Å
566D88.5Confident89.4Confident67 Ų6742.2 Ų42.236%0.35822%0.222SC..  trans-63.4125.2179.7-178.677000112W522 R568 E569 F570W522-D566 HydrophobicContact CH2-CB 4.48Å; W522-D566 HydrophobicContact CZ2-CB 4.47Å; D566-R568 PolarHBondContact O-N 2.92Å; D566-R568 PolarHBondContact OD2-N 3.35Å; D566-E569 HydrophobicContact CB-CB 4.11Å; D566-E569 PolarHBondContact OD2-N 3.27Å; D566-F570 VanDerWaalsContact O-CB 3.25Å; D566-F570 WeakPolarHBondContact O-CB 3.25Å; D566-F570 PolarHBondContact O-N 3.5Å
567Q84.6Confident89.4Confident66 Ų6638.1 Ų38.131%0.30820%0.203SC..Hα-helixtrans-64.1-37.8-173.6176.7-178-1.300113.5L562 F565 A571 R605 T606L562-Q567 HydrophobicContact CD2-CB 3.9Å; L562-Q567 HydrophobicContact CD2-CG 3.78Å; F565-Q567 PolarHBondContact O-N 2.86Å; Q567-A571 WeakPolarHBondContact O-CB 2.79Å; Q567-A571 PolarHBondContact O-N 2.88Å; Q567-A571 VanDerWaalsContact O-N 3.12Å; Q567-R605 VanDerWaalsContact NE2-CB 3.28Å; Q567-R605 PolarHBondContact NE2-O 3.33Å; Q567-T606 HydrophobicContact CG-CG2 3.57Å; Q567-T606 VanDerWaalsContact NE2-CA 3.31Å
568R84.5Confident89.2Confident193 Ų19338.4 Ų38.473%0.72821%0.205SC*.Hα-helixtrans-75.8-43.1-177.5-66.2-174.3-167.4-162.93.2110.7D566 F570 A571 S572D566-R568 PolarHBondContact O-N 2.92Å; D566-R568 PolarHBondContact OD2-N 3.35Å; R568-F570 VanDerWaalsContact C-N 3.35Å; R568-A571 PolarHBondContact O-N 2.86Å; R568-S572 PolarHBondContact O-N 3.49Å
569E88.8Confident89.1Confident59 Ų5945.5 Ų45.528%0.27623%0.231SC..Hα-helixtrans-62.6-44.9176.4-172.7174.4-172.200110.9R526 F565 D566 A571 S572 M573R526-E569 IonicContact CZ-OE1 3.72Å; R526-E569 IonicContact CZ-OE2 3.87Å; R526-E569 IonicContact NE-OE1 2.74Å; R526-E569 PolarHBondContact NE-OE1 3.33Å; R526-E569 IonicContact NE-OE2 3.91Å; R526-E569 IonicContact NH2-OE1 2.91Å; R526-E569 PolarHBondContact NH2-OE1 2.78Å; R526-E569 IonicContact NH2-OE2 2.76Å; R526-E569 PolarHBondContact NH2-OE2 3.07Å; F565-E569 HydrophobicContact CE1-CB 3.92Å; F565-E569 HydrophobicContact CE1-CG 3.88Å; F565-E569 HydrophobicContact CZ-CG 4.21Å; D566-E569 HydrophobicContact CB-CB 4.11Å; D566-E569 PolarHBondContact OD2-N 3.27Å; E569-A571 PolarHBondContact O-N 2.92Å; E569-S572 WeakPolarHBondContact O-CB 3.36Å; E569-S572 PolarHBondContact O-N 3.18Å; E569-S572 VanDerWaalsContact O-N 3.1Å; E569-M573 HydrophobicContact CG-SD 4.03Å; E569-M573 WeakPolarHBondContact O-CG 3.39Å; E569-M573 PolarHBondContact O-N 2.64Å
570F90.2Very high89.2Confident0 Ų043.9 Ų43.90%022%0.217CC..Hα-helixtrans-59.7-45.6176.8-172-129.8000112.6F529 V558 V561 L562 F565 D566 R568 S572 M573 L574F529-F570 AromaticContact CE1-CE2 3.72Å; F529-F570 HydrophobicContact CE1-CE2 3.72Å; F529-F570 HydrophobicContact CE1-CZ 4.45Å; F529-F570 AromaticContact CE2-CE2 3.91Å; F529-F570 HydrophobicContact CE2-CE2 3.91Å; F529-F570 HydrophobicContact CZ-CD2 4.4Å; F529-F570 AromaticContact CZ-CE2 3.38Å; F529-F570 HydrophobicContact CZ-CE2 3.38Å; F529-F570 HydrophobicContact CZ-CZ 4.06Å; V558-F570 HydrophobicContact CB-CE1 4.37Å; V558-F570 HydrophobicContact CG1-CE1 4.21Å; V558-F570 HydrophobicContact CG2-CE1 4.33Å; V561-F570 HydrophobicContact CB-CE1 4.07Å; V561-F570 HydrophobicContact CB-CE2 4.11Å; V561-F570 HydrophobicContact CB-CZ 3.77Å; V561-F570 HydrophobicContact CG1-CD1 4.33Å; V561-F570 HydrophobicContact CG1-CD2 3.79Å; V561-F570 HydrophobicContact CG1-CE1 4.12Å; V561-F570 HydrophobicContact CG1-CE2 3.58Å; V561-F570 HydrophobicContact CG1-CG 4.17Å; V561-F570 HydrophobicContact CG1-CZ 3.76Å; V561-F570 HydrophobicContact CG2-CZ 4.28Å; L562-F570 HydrophobicContact CD2-CD1 3.73Å; L562-F570 HydrophobicContact CD2-CE1 4.5Å; L562-F570 HydrophobicContact CG-CD1 3.95Å; L562-F570 HydrophobicContact CG-CE1 4.23Å; F565-F570 HydrophobicContact CD1-CB 3.93Å; F565-F570 HydrophobicContact CE1-CB 4.36Å; D566-F570 VanDerWaalsContact O-CB 3.25Å; D566-F570 WeakPolarHBondContact O-CB 3.25Å; D566-F570 PolarHBondContact O-N 3.5Å; R568-F570 VanDerWaalsContact C-N 3.35Å; F570-S572 VanDerWaalsContact C-N 3.27Å; F570-S572 PolarHBondContact O-N 3.41Å; F570-M573 WeakPolarHBondContact O-CB 3.43Å; F570-M573 PolarHBondContact O-N 3.35Å; F570-L574 HydrophobicContact CD1-CD1 4.05Å; F570-L574 HydrophobicContact CE1-CD1 3.67Å; F570-L574 HydrophobicContact CE1-CG 4.37Å; F570-L574 HydrophobicContact CE2-CD1 4.35Å; F570-L574 HydrophobicContact CE2-CD2 4.23Å; F570-L574 HydrophobicContact CE2-CG 4.19Å; F570-L574 HydrophobicContact CZ-CD1 3.84Å; F570-L574 HydrophobicContact CZ-CD2 4.14Å; F570-L574 HydrophobicContact CZ-CG 4.13Å; F570-L574 WeakPolarHBondContact O-CG 3.47Å; F570-L574 PolarHBondContact O-N 2.93Å
571A85.4Confident89Confident4 Ų442.1 Ų42.13%0.03321%0.207CC..Hα-helixtrans-59.2-39.2175.500000111.8Q567 R568 E569 M573 A575 M602 T606Q567-A571 WeakPolarHBondContact O-CB 2.79Å; Q567-A571 PolarHBondContact O-N 2.88Å; Q567-A571 VanDerWaalsContact O-N 3.12Å; R568-A571 PolarHBondContact O-N 2.86Å; E569-A571 PolarHBondContact O-N 2.92Å; A571-M573 VanDerWaalsContact C-N 3.33Å; A571-M573 PolarHBondContact O-N 3.26Å; A571-A575 WeakPolarHBondContact O-CB 3.43Å; A571-A575 PolarHBondContact O-N 2.98Å; A571-M602 HydrophobicContact CB-SD 4.4Å; A571-T606 HydrophobicContact CB-CG2 4.36Å
572S86.6Confident88.7Confident64 Ų6442.9 Ų42.945%0.44821%0.212SC..Hα-helixtrans-66.3-33.3174.7-172.70000113R568 E569 F570 A575 N576R568-S572 PolarHBondContact O-N 3.49Å; E569-S572 WeakPolarHBondContact O-CB 3.36Å; E569-S572 PolarHBondContact O-N 3.18Å; E569-S572 VanDerWaalsContact O-N 3.1Å; F570-S572 VanDerWaalsContact C-N 3.27Å; F570-S572 PolarHBondContact O-N 3.41Å; S572-A575 WeakPolarHBondContact O-CB 3.33Å; S572-A575 PolarHBondContact O-N 3.26Å; S572-N576 PolarHBondContact O-N 3.06Å; S572-N576 VanDerWaalsContact O-N 3.09Å; S572-N576 PolarHBondContact O-ND2 2.92Å
573M90.3Very high88.2Confident24 Ų2447 Ų4712%0.11823%0.231CC..Hα-helixtrans-71.6-44177.8-67.6163.26500111F529 F565 E569 F570 A571 A575 N576 F577F529-M573 HydrophobicContact CB-CE 3.09Å; F529-M573 HydrophobicContact CD1-CB 4.46Å; F529-M573 HydrophobicContact CD1-CE 4.3Å; F529-M573 HydrophobicContact CD2-CE 3.9Å; F529-M573 HydrophobicContact CG-CE 3.52Å; F565-M573 HydrophobicContact CE1-SD 4Å; F565-M573 HydrophobicContact CZ-SD 4.07Å; E569-M573 HydrophobicContact CG-SD 4.03Å; E569-M573 WeakPolarHBondContact O-CG 3.39Å; E569-M573 PolarHBondContact O-N 2.64Å; F570-M573 WeakPolarHBondContact O-CB 3.43Å; F570-M573 PolarHBondContact O-N 3.35Å; A571-M573 VanDerWaalsContact C-N 3.33Å; A571-M573 PolarHBondContact O-N 3.26Å; M573-A575 VanDerWaalsContact C-N 3.25Å; M573-A575 PolarHBondContact O-N 3.45Å; M573-N576 PolarHBondContact O-N 2.97Å; M573-F577 WeakPolarHBondContact O-CB 3.44Å; M573-F577 PolarHBondContact O-N 3.37Å
574L89.8Confident87.7Confident5 Ų550.3 Ų50.33%0.02624%0.244CC..Hα-helixtrans-61.9-35.6172-64.6177.3000111.8F529 I554 V558 F570 F577 I578 F597 M602F529-L574 HydrophobicContact CE1-CD2 3.85Å; I554-L574 HydrophobicContact CG1-CD2 4.04Å; V558-L574 HydrophobicContact CG2-CD1 4.1Å; F570-L574 HydrophobicContact CD1-CD1 4.05Å; F570-L574 HydrophobicContact CE1-CD1 3.67Å; F570-L574 HydrophobicContact CE1-CG 4.37Å; F570-L574 HydrophobicContact CE2-CD1 4.35Å; F570-L574 HydrophobicContact CE2-CD2 4.23Å; F570-L574 HydrophobicContact CE2-CG 4.19Å; F570-L574 HydrophobicContact CZ-CD1 3.84Å; F570-L574 HydrophobicContact CZ-CD2 4.14Å; F570-L574 HydrophobicContact CZ-CG 4.13Å; F570-L574 WeakPolarHBondContact O-CG 3.47Å; F570-L574 PolarHBondContact O-N 2.93Å; L574-F577 WeakPolarHBondContact O-CB 3.14Å; L574-F577 PolarHBondContact O-N 3.39Å; L574-I578 PolarHBondContact O-N 3.01Å; L574-F597 HydrophobicContact CB-CE2 4.48Å; L574-F597 HydrophobicContact CB-CZ 4.39Å; L574-F597 HydrophobicContact CD1-CE1 4.11Å; L574-F597 HydrophobicContact CD1-CZ 4.21Å; L574-F597 HydrophobicContact CD2-CE1 4.3Å; L574-F597 HydrophobicContact CD2-CZ 3.83Å; L574-F597 HydrophobicContact CG-CZ 4.37Å; L574-M602 HydrophobicContact CD1-CE 3.75Å; L574-M602 HydrophobicContact CD1-SD 3.53Å; L574-M602 VanDerWaalsContact CD1-SD 3.53Å
575A85.4Confident87.5Confident9 Ų950.2 Ų50.27%0.07424%0.24CC..Hα-helixtrans-60.1-46.6173.800000112.8A571 S572 M573 R579 L613A571-A575 WeakPolarHBondContact O-CB 3.43Å; A571-A575 PolarHBondContact O-N 2.98Å; S572-A575 WeakPolarHBondContact O-CB 3.33Å; S572-A575 PolarHBondContact O-N 3.26Å; M573-A575 VanDerWaalsContact C-N 3.25Å; M573-A575 PolarHBondContact O-N 3.45Å; A575-R579 VanDerWaalsContact O-CB 3.29Å; A575-R579 WeakPolarHBondContact O-CB 3.37Å; A575-R579 PolarHBondContact O-N 2.83Å; A575-L613 HydrophobicContact CB-CD1 3.31Å; A575-L613 HydrophobicContact CB-CD2 3.83Å; A575-L613 HydrophobicContact CB-CG 4.16Å
576N88.2Confident87.4Confident58 Ų5850.8 Ų50.831%0.3124%0.244SC..Hα-helixtrans-68.7-37.6177.7-68.8-21.1000111.3T533 S572 M573 R579 N580T533-N576 HydrophobicContact CG2-CB 4.17Å; S572-N576 PolarHBondContact O-N 3.06Å; S572-N576 VanDerWaalsContact O-N 3.09Å; S572-N576 PolarHBondContact O-ND2 2.92Å; M573-N576 PolarHBondContact O-N 2.97Å; N576-R579 PolarHBondContact O-N 3.31Å; N576-R579 PolarHBondContact OD1-NH1 3.48Å; N576-N580 WeakPolarHBondContact O-CB 3.47Å; N576-N580 PolarHBondContact O-N 2.82Å; N576-N580 PolarHBondContact O-OD1 2.88Å
577F92.1Very high87.3Confident0 Ų048.7 Ų48.70%023%0.233CC..Hα-helixtrans-57.4-49.5174.9175-95.1000112.2L532 M536 A550 L551 I554 M573 L574L532-F577 HydrophobicContact CB-CD2 4.31Å; L532-F577 HydrophobicContact CB-CE2 4.32Å; M536-F577 HydrophobicContact CE-CZ 4.33Å; M536-F577 HydrophobicContact CG-CD2 3.65Å; M536-F577 HydrophobicContact CG-CE2 3.34Å; M536-F577 HydrophobicContact CG-CG 4.39Å; M536-F577 HydrophobicContact CG-CZ 3.86Å; M536-F577 HydrophobicContact SD-CE2 3.62Å; M536-F577 HydrophobicContact SD-CZ 3.73Å; A550-F577 HydrophobicContact CB-CE2 4.31Å; A550-F577 HydrophobicContact CB-CZ 3.98Å; L551-F577 HydrophobicContact CD2-CE1 3.77Å; L551-F577 HydrophobicContact CD2-CZ 4.29Å; L551-F577 HydrophobicContact CG-CE1 4.5Å; I554-F577 HydrophobicContact CB-CE1 4.38Å; I554-F577 HydrophobicContact CG1-CE1 4.47Å; I554-F577 HydrophobicContact CG2-CD1 4.41Å; I554-F577 HydrophobicContact CG2-CE1 3.72Å; I554-F577 HydrophobicContact CG2-CZ 4.26Å; M573-F577 WeakPolarHBondContact O-CB 3.44Å; M573-F577 PolarHBondContact O-N 3.37Å; L574-F577 WeakPolarHBondContact O-CB 3.14Å; L574-F577 PolarHBondContact O-N 3.39Å
578I89.5Confident87.6Confident9 Ų950.6 Ų50.65%0.04624%0.241CC..Hα-helixtrans-69.4-38.8177.9-65-63.8000112.2L551 L574 N580 V581 K590 C593 L594 F597L551-I578 HydrophobicContact CD2-CD1 3.88Å; L574-I578 PolarHBondContact O-N 3.01Å; I578-N580 PolarHBondContact O-N 3.45Å; I578-V581 WeakPolarHBondContact O-CG2 3.37Å; I578-V581 PolarHBondContact O-N 2.99Å; I578-K590 HydrophobicContact CG2-CG 4.31Å; I578-K590 WeakPolarHBondContact O-CE 3.34Å; I578-C593 HydrophobicContact CD1-CB 4.31Å; I578-L594 HydrophobicContact CG1-CD2 4.41Å; I578-L594 HydrophobicContact CG2-CD1 4.43Å; I578-L594 HydrophobicContact CG2-CD2 3.96Å; I578-L594 HydrophobicContact CG2-CG 4.24Å; I578-F597 HydrophobicContact CD1-CD2 4.44Å; I578-F597 HydrophobicContact CD1-CE2 3.82Å; I578-F597 HydrophobicContact CG1-CD2 4.28Å; I578-F597 HydrophobicContact CG1-CE2 3.73Å
579R88Confident88Confident150 Ų15045.1 Ų45.157%0.56622%0.223SC*.Hα-helixtrans-62.4-34.7179.4-170.6-175.5-56.813310112.1A575 N576 V581A575-R579 VanDerWaalsContact O-CB 3.29Å; A575-R579 WeakPolarHBondContact O-CB 3.37Å; A575-R579 PolarHBondContact O-N 2.83Å; N576-R579 PolarHBondContact O-N 3.31Å; N576-R579 PolarHBondContact OD1-NH1 3.48Å; R579-V581 PolarHBondContact O-N 3.08Å
580N90.9Very high88.1Confident42 Ų4243.4 Ų43.423%0.22522%0.215CC..THydrogen-bonded Turntrans-75.3-6.5-178.1-80.214.6000114.3T533 M536 L537 N576 I578 P582T533-N580 HydrophobicContact CG2-CB 4.32Å; T533-N580 WeakPolarHBondContact CG2-ND2 3.44Å; T533-N580 PolarHBondContact O-ND2 2.76Å; T533-N580 VanDerWaalsContact O-ND2 3.16Å; M536-N580 CarbonylContact C-O 3.54Å; M536-N580 HydrophobicContact CB-CB 4.09Å; M536-N580 VanDerWaalsContact O-O 3.04Å; L537-N580 HydrophobicContact CD2-CB 3.75Å; L537-N580 HydrophobicContact CG-CB 4.05Å; L537-N580 WeakPolarHBondContact CG-ND2 3.5Å; N576-N580 WeakPolarHBondContact O-CB 3.47Å; N576-N580 PolarHBondContact O-N 2.82Å; N576-N580 PolarHBondContact O-OD1 2.88Å; I578-N580 PolarHBondContact O-N 3.45Å; N580-P582 WeakPolarHBondContact O-CD 3.32Å
581V90Very high88.1Confident2 Ų243.6 Ų43.61%0.01222%0.216CC..SBendtrans-74.9118.3171.7-170.60000109.2M536 L551 I578 R579 R585 K590M536-V581 HydrophobicContact CB-CG2 4.25Å; M536-V581 HydrophobicContact CE-CG1 4.45Å; M536-V581 HydrophobicContact CE-CG2 3.49Å; M536-V581 VanDerWaalsContact CE-CG2 3.49Å; M536-V581 HydrophobicContact CG-CG2 4.37Å; L551-V581 HydrophobicContact CD1-CG1 4.48Å; L551-V581 HydrophobicContact CD1-CG2 4.47Å; L551-V581 HydrophobicContact CD2-CG2 4.12Å; I578-V581 WeakPolarHBondContact O-CG2 3.37Å; I578-V581 PolarHBondContact O-N 2.99Å; R579-V581 PolarHBondContact O-N 3.08Å; V581-R585 WeakPolarHBondContact CG1-O 3.38Å; V581-K590 HydrophobicContact CB-CD 3.9Å; V581-K590 HydrophobicContact CB-CG 4.38Å; V581-K590 HydrophobicContact CG1-CB 4.4Å; V581-K590 HydrophobicContact CG1-CD 3.98Å; V581-K590 HydrophobicContact CG1-CG 4.42Å; V581-K590 PolarHBondContact O-NZ 3.44Å
582P86.5Confident88.5Confident19 Ų1947.3 Ų47.312%0.12323%0.234CC..  trans-53.1144.7176.8-23.332.7000112M536 Q539 N580 D584 R585M536-P582 WeakPolarHBondContact O-CD 3.27Å; Q539-P582 HydrophobicContact CG-CG 4.11Å; N580-P582 WeakPolarHBondContact O-CD 3.32Å; P582-D584 VanDerWaalsContact C-N 3.3Å; P582-D584 WeakPolarHBondContact CB-OD1 2.92Å; P582-D584 PolarHBondContact O-N 2.99Å; P582-R585 HydrophobicContact CB-CB 3.97Å; P582-R585 HydrophobicContact CG-CB 4.34Å; P582-R585 PolarHBondContact O-N 2.9Å; P582-R585 VanDerWaalsContact O-O 3.12Å
583E78.9Confident88.7Confident108 Ų10844.3 Ų44.351%0.50521%0.213SC..THydrogen-bonded Turntrans-70-26.6-172.6-65.9-175.8157.800113.5T587 F620E583-T587 PolarHBondContact O-OG1 2.79Å; E583-F620 HydrophobicContact CB-CE1 3.95Å; E583-F620 HydrophobicContact CB-CZ 4.42Å; E583-F620 HydrophobicContact CG-CE1 4.35Å; E583-F620 WeakPolarHBondContact OE2-CZ 3.49Å
584D79.2Confident88.7Confident140 Ų14043.3 Ų43.375%0.74921%0.208SC*.THydrogen-bonded Turntrans-915.4178.263.9-38.9000113.3P582P582-D584 VanDerWaalsContact C-N 3.3Å; P582-D584 WeakPolarHBondContact CB-OD1 2.92Å; P582-D584 PolarHBondContact O-N 2.99Å
585R88Confident88.7Confident25 Ų2544 Ų449%0.09421%0.212CC..SBendtrans-130.6131.3-172.7-162.3176.8-158.1-143.94.4112.3Y538 T540 S543 L544 Q547 V581 P582 T587Y538-R585 PolarHBondContact O-NH1 3.39Å; T540-R585 PolarHBondContact O-NH2 2.98Å; S543-R585 PolarHBondContact OG-NH1 3.46Å; L544-R585 HydrophobicContact CD1-CG 4.22Å; Q547-R585 VanDerWaalsContact CD-NH1 3.25Å; V581-R585 WeakPolarHBondContact CG1-O 3.38Å; P582-R585 HydrophobicContact CB-CB 3.97Å; P582-R585 HydrophobicContact CG-CB 4.34Å; P582-R585 PolarHBondContact O-N 2.9Å; P582-R585 VanDerWaalsContact O-O 3.12Å; R585-T587 PolarHBondContact O-N 3.12Å
586L89.2Confident89Confident23 Ų2346.3 Ų46.312%0.1222%0.222CC..SBendtrans54.732.8177-66.9167.1000112.9L544 Q547 L551 K588 Q589 K590L544-L586 HydrophobicContact CD1-CD1 4.15Å; L544-L586 HydrophobicContact CD1-CD2 3.83Å; L544-L586 HydrophobicContact CD1-CG 3.82Å; L544-L586 HydrophobicContact CG-CD2 4.45Å; Q547-L586 HydrophobicContact CB-CD1 3.49Å; Q547-L586 VanDerWaalsContact CB-CD1 3.49Å; L551-L586 HydrophobicContact CD1-CB 4.11Å; L551-L586 HydrophobicContact CD1-CD1 4.15Å; L586-K588 PolarHBondContact O-N 2.76Å; L586-Q589 HydrophobicContact CB-CB 4.32Å; L586-Q589 HydrophobicContact CD2-CB 4.45Å; L586-Q589 HydrophobicContact CD2-CG 4.21Å; L586-Q589 PolarHBondContact O-N 2.92Å; L586-Q589 VanDerWaalsContact O-N 3.11Å; L586-K590 WeakPolarHBondContact O-CB 3.45Å; L586-K590 PolarHBondContact O-N 3.06Å
587T87.9Confident88.9Confident23 Ų2343.7 Ų43.714%0.14121%0.208CC..Hα-helixtrans-52.2-51.3-174.2-490000112.1E583 R585 Q589 K590 L591 Q621E583-T587 PolarHBondContact O-OG1 2.79Å; R585-T587 PolarHBondContact O-N 3.12Å; T587-Q589 PolarHBondContact O-N 2.97Å; T587-K590 WeakPolarHBondContact O-CB 3.39Å; T587-K590 PolarHBondContact O-N 2.76Å; T587-L591 HydrophobicContact CG2-CD1 4.41Å; T587-L591 WeakPolarHBondContact O-CG 3.4Å; T587-L591 PolarHBondContact O-N 3.07Å; T587-Q621 VanDerWaalsContact CG2-CD 3.47Å; T587-Q621 HydrophobicContact CG2-CG 4.44Å
588K90.3Very high88.6Confident105 Ų10543.8 Ų43.846%0.45721%0.209SC..Hα-helixtrans-61-45.8177.6-175.3169.5-175.6159.40112.8L586 K590 L591 M592 L630L586-K588 PolarHBondContact O-N 2.76Å; K588-K590 VanDerWaalsContact C-N 3.34Å; K588-K590 PolarHBondContact O-N 3.11Å; K588-L591 PolarHBondContact O-N 2.91Å; K588-M592 HydrophobicContact CG-SD 4.25Å; K588-M592 WeakPolarHBondContact O-CG 3.25Å; K588-M592 PolarHBondContact O-N 3.13Å; K588-L630 HydrophobicContact CG-CD2 4.39Å
589Q92.4Very high88.3Confident79 Ų7948.7 Ų48.737%0.36923%0.231SC..Hα-helixtrans-66.7-36.3179.6-66.779.20.400111.8L551 L586 T587 M592 C593L551-Q589 HydrophobicContact CD1-CB 4.12Å; L586-Q589 HydrophobicContact CB-CB 4.32Å; L586-Q589 HydrophobicContact CD2-CB 4.45Å; L586-Q589 HydrophobicContact CD2-CG 4.21Å; L586-Q589 PolarHBondContact O-N 2.92Å; L586-Q589 VanDerWaalsContact O-N 3.11Å; T587-Q589 PolarHBondContact O-N 2.97Å; Q589-M592 PolarHBondContact O-N 3.49Å; Q589-C593 VanDerWaalsContact O-CB 3.32Å; Q589-C593 WeakPolarHBondContact O-CB 3.3Å; Q589-C593 PolarHBondContact O-N 3.36Å
590K91.5Very high88Confident23 Ų2342.5 Ų42.510%0.121%0.211CC..Hα-helixtrans-62.5-45.7173.5-177.5-176.5-175.2169.50111I578 V581 L586 T587 K588 C593 L594I578-K590 HydrophobicContact CG2-CG 4.31Å; I578-K590 WeakPolarHBondContact O-CE 3.34Å; V581-K590 HydrophobicContact CB-CD 3.9Å; V581-K590 HydrophobicContact CB-CG 4.38Å; V581-K590 HydrophobicContact CG1-CB 4.4Å; V581-K590 HydrophobicContact CG1-CD 3.98Å; V581-K590 HydrophobicContact CG1-CG 4.42Å; V581-K590 PolarHBondContact O-NZ 3.44Å; L586-K590 WeakPolarHBondContact O-CB 3.45Å; L586-K590 PolarHBondContact O-N 3.06Å; T587-K590 WeakPolarHBondContact O-CB 3.39Å; T587-K590 PolarHBondContact O-N 2.76Å; K588-K590 VanDerWaalsContact C-N 3.34Å; K588-K590 PolarHBondContact O-N 3.11Å; K590-C593 PolarHBondContact O-N 2.74Å; K590-L594 WeakPolarHBondContact O-CG 3.33Å; K590-L594 PolarHBondContact O-N 3.24Å
591L90.7Very high87.1Confident3 Ų344.3 Ų44.32%0.01622%0.218CC..Hα-helixtrans-67.1-40.7176.9-70.7176.5000112.3T587 K588 C593 L594 L595 V618 Q621 E627 L630 I634T587-L591 HydrophobicContact CG2-CD1 4.41Å; T587-L591 WeakPolarHBondContact O-CG 3.4Å; T587-L591 PolarHBondContact O-N 3.07Å; K588-L591 PolarHBondContact O-N 2.91Å; L591-C593 VanDerWaalsContact C-N 3.35Å; L591-C593 PolarHBondContact O-N 2.66Å; L591-L594 HydrophobicContact CD2-CD1 4.34Å; L591-L594 WeakPolarHBondContact O-CB 3.11Å; L591-L594 PolarHBondContact O-N 3.42Å; L591-L595 PolarHBondContact O-N 3.38Å; L591-V618 HydrophobicContact CD2-CG2 4.37Å; L591-Q621 HydrophobicContact CD1-CG 4.29Å; L591-Q621 HydrophobicContact CD2-CG 4.32Å; L591-E627 HydrophobicContact CD1-CB 3.51Å; L591-E627 HydrophobicContact CD1-CG 4.04Å; L591-L630 HydrophobicContact CB-CD2 3.26Å; L591-L630 HydrophobicContact CB-CG 3.82Å; L591-L630 HydrophobicContact CD1-CD2 4.07Å; L591-L630 HydrophobicContact CD1-CG 4.47Å; L591-L630 HydrophobicContact CG-CD2 4.33Å; L591-I634 HydrophobicContact CB-CD1 3.96Å; L591-I634 HydrophobicContact CD2-CD1 3.77Å; L591-I634 HydrophobicContact CG-CD1 4.44Å; L591-I634 WeakPolarHBondContact O-CD1 3.39Å
592M92.6Very high86.2Confident83 Ų8344.2 Ų44.241%0.40922%0.218SC..Hα-helixtrans-60.8-44.2173.3-75.2173.24300111.7K588 Q589 L594 L595 D596 L630K588-M592 HydrophobicContact CG-SD 4.25Å; K588-M592 WeakPolarHBondContact O-CG 3.25Å; K588-M592 PolarHBondContact O-N 3.13Å; Q589-M592 PolarHBondContact O-N 3.49Å; M592-L594 VanDerWaalsContact C-N 3.29Å; M592-L594 PolarHBondContact O-N 2.94Å; M592-L595 WeakPolarHBondContact O-CB 3.03Å; M592-L595 PolarHBondContact O-N 3.18Å; M592-L595 VanDerWaalsContact O-N 3.14Å; M592-D596 PolarHBondContact O-N 3.14Å; M592-L630 HydrophobicContact CG-CD2 4.05Å
593C92.3Very high85.4Confident1 Ų143.5 Ų43.51%0.00721%0.213CC..Hα-helixtrans-60.7-39.3175.6-172.80000111.7L551 I554 I578 Q589 K590 L591 D596 F597L551-C593 HydrophobicContact CB-CB 4.26Å; L551-C593 HydrophobicContact CD2-CB 3.97Å; L551-C593 WeakPolarHBondContact O-CB 3.33Å; L551-C593 PolarHBondContact O-SG 3.04Å; I554-C593 VanDerWaalsContact CG2-SG 3.59Å; I578-C593 HydrophobicContact CD1-CB 4.31Å; Q589-C593 VanDerWaalsContact O-CB 3.32Å; Q589-C593 WeakPolarHBondContact O-CB 3.3Å; Q589-C593 PolarHBondContact O-N 3.36Å; K590-C593 PolarHBondContact O-N 2.74Å; L591-C593 VanDerWaalsContact C-N 3.35Å; L591-C593 PolarHBondContact O-N 2.66Å; C593-D596 PolarHBondContact O-N 2.93Å; C593-F597 WeakPolarHBondContact O-CG 3.5Å; C593-F597 PolarHBondContact O-N 3.07Å
594L89.4Confident84.9Confident2 Ų243.2 Ų43.21%0.0121%0.21CC..Hα-helixtrans-63.5-41.9173.1-77.8172.8000112.3I578 K590 L591 M592 F597 V598 T614 A617 I634I578-L594 HydrophobicContact CG1-CD2 4.41Å; I578-L594 HydrophobicContact CG2-CD1 4.43Å; I578-L594 HydrophobicContact CG2-CD2 3.96Å; I578-L594 HydrophobicContact CG2-CG 4.24Å; K590-L594 WeakPolarHBondContact O-CG 3.33Å; K590-L594 PolarHBondContact O-N 3.24Å; L591-L594 HydrophobicContact CD2-CD1 4.34Å; L591-L594 WeakPolarHBondContact O-CB 3.11Å; L591-L594 PolarHBondContact O-N 3.42Å; M592-L594 VanDerWaalsContact C-N 3.29Å; M592-L594 PolarHBondContact O-N 2.94Å; L594-F597 PolarHBondContact O-N 3.07Å; L594-V598 WeakPolarHBondContact O-CG2 2.97Å; L594-V598 PolarHBondContact O-N 3.25Å; L594-T614 HydrophobicContact CB-CG2 4.49Å; L594-T614 HydrophobicContact CD2-CG2 3.9Å; L594-A617 HydrophobicContact CD1-CB 3.81Å; L594-I634 HydrophobicContact CB-CD1 4.33Å
595L90.8Very high84.4Confident21 Ų2144.1 Ų44.111%0.1120%0.203CC..Hα-helixtrans-60.5-48.2175.6-179.260.5000111L591 M592 F597 V598 Q599 L630 Q633 I634 A637L591-L595 PolarHBondContact O-N 3.38Å; M592-L595 WeakPolarHBondContact O-CB 3.03Å; M592-L595 PolarHBondContact O-N 3.18Å; M592-L595 VanDerWaalsContact O-N 3.14Å; L595-F597 VanDerWaalsContact C-N 3.29Å; L595-F597 PolarHBondContact O-N 3.03Å; L595-V598 PolarHBondContact O-N 3.33Å; L595-V598 VanDerWaalsContact O-N 3.13Å; L595-Q599 HydrophobicContact CD1-CG 4.43Å; L595-Q599 WeakPolarHBondContact O-CG 3.25Å; L595-Q599 PolarHBondContact O-N 3.14Å; L595-L630 HydrophobicContact CD2-CD1 4.01Å; L595-Q633 HydrophobicContact CD1-CB 4.5Å; L595-Q633 HydrophobicContact CD2-CB 4.48Å; L595-I634 HydrophobicContact CB-CG1 3.91Å; L595-I634 HydrophobicContact CD1-CG1 4.21Å; L595-A637 HydrophobicContact CD1-CB 3.97Å
596D89.6Confident83.3Confident56 Ų5644 Ų4430%0.29921%0.206SC..Hα-helixtrans-60.4-39.2177.2-67.3-28.2000111.4P555 M592 C593 Q599 S600P555-D596 HydrophobicContact CB-CB 3.55Å; P555-D596 HydrophobicContact CG-CB 3.67Å; M592-D596 PolarHBondContact O-N 3.14Å; C593-D596 PolarHBondContact O-N 2.93Å; D596-Q599 PolarHBondContact O-N 3.42Å; D596-S600 WeakPolarHBondContact O-CB 3.34Å; D596-S600 PolarHBondContact O-N 3.37Å
597F87.6Confident81.8Confident4 Ų444.4 Ų44.42%0.01822%0.215CC..Hα-helixtrans-64.4-42.5174-76.1-28.9000112.8I554 P555 V558 L574 I578 C593 L594 L595 Q599 S600 M602 V603 V610I554-F597 HydrophobicContact CG2-CE1 4.2Å; I554-F597 HydrophobicContact CG2-CZ 3.66Å; P555-F597 HydrophobicContact CB-CD1 4.14Å; P555-F597 HydrophobicContact CB-CE1 4.14Å; P555-F597 HydrophobicContact CG-CD1 4.35Å; P555-F597 HydrophobicContact CG-CE1 4.14Å; V558-F597 HydrophobicContact CG2-CD1 3.96Å; V558-F597 HydrophobicContact CG2-CE1 3.62Å; L574-F597 HydrophobicContact CB-CE2 4.48Å; L574-F597 HydrophobicContact CB-CZ 4.39Å; L574-F597 HydrophobicContact CD1-CE1 4.11Å; L574-F597 HydrophobicContact CD1-CZ 4.21Å; L574-F597 HydrophobicContact CD2-CE1 4.3Å; L574-F597 HydrophobicContact CD2-CZ 3.83Å; L574-F597 HydrophobicContact CG-CZ 4.37Å; I578-F597 HydrophobicContact CD1-CD2 4.44Å; I578-F597 HydrophobicContact CD1-CE2 3.82Å; I578-F597 HydrophobicContact CG1-CD2 4.28Å; I578-F597 HydrophobicContact CG1-CE2 3.73Å; C593-F597 WeakPolarHBondContact O-CG 3.5Å; C593-F597 PolarHBondContact O-N 3.07Å; L594-F597 PolarHBondContact O-N 3.07Å; L595-F597 VanDerWaalsContact C-N 3.29Å; L595-F597 PolarHBondContact O-N 3.03Å; F597-Q599 VanDerWaalsContact C-N 3.3Å; F597-Q599 PolarHBondContact O-N 3.2Å; F597-S600 WeakPolarHBondContact O-CB 3.29Å; F597-S600 PolarHBondContact O-N 3.03Å; F597-S600 PolarHBondContact O-OG 3.34Å; F597-M602 HydrophobicContact CB-CE 4.06Å; F597-M602 HydrophobicContact CD1-CE 3.9Å; F597-M602 HydrophobicContact CG-CE 4Å; F597-V603 WeakPolarHBondContact O-CG2 3.41Å; F597-V610 HydrophobicContact CB-CG1 4.35Å
598V84.4Confident80.5Confident2 Ų245 Ų451%0.01222%0.219CC..Hα-helixtrans-60.8-42177.1171.80000111.2L594 L595 S600 T614 I634 A637L594-V598 WeakPolarHBondContact O-CG2 2.97Å; L594-V598 PolarHBondContact O-N 3.25Å; L595-V598 PolarHBondContact O-N 3.33Å; L595-V598 VanDerWaalsContact O-N 3.13Å; V598-S600 VanDerWaalsContact C-N 3.31Å; V598-S600 PolarHBondContact O-N 3.06Å; V598-T614 HydrophobicContact CG2-CG2 3.38Å; V598-I634 HydrophobicContact CG2-CG2 4.44Å; V598-A637 HydrophobicContact CG1-CB 3.74Å
599Q84.7Confident79.2Confident111 Ų11145.2 Ų45.252%0.51922%0.221SC..Hα-helixtrans-75.5-19.4179.5-67.7179-19.600113.2L595 D596 F597 A637L595-Q599 HydrophobicContact CD1-CG 4.43Å; L595-Q599 WeakPolarHBondContact O-CG 3.25Å; L595-Q599 PolarHBondContact O-N 3.14Å; D596-Q599 PolarHBondContact O-N 3.42Å; F597-Q599 VanDerWaalsContact C-N 3.3Å; F597-Q599 PolarHBondContact O-N 3.2Å; Q599-A637 HydrophobicContact CG-CB 4.48Å
600S80.6Confident77.7Confident21 Ų2141.8 Ų41.815%0.14721%0.205CC..SBendtrans-68157.7178.980.10000113.5D596 F597 V598 M602 V603D596-S600 WeakPolarHBondContact O-CB 3.34Å; D596-S600 PolarHBondContact O-N 3.37Å; F597-S600 WeakPolarHBondContact O-CB 3.29Å; F597-S600 PolarHBondContact O-N 3.03Å; F597-S600 PolarHBondContact O-OG 3.34Å; V598-S600 VanDerWaalsContact C-N 3.31Å; V598-S600 PolarHBondContact O-N 3.06Å; S600-M602 PolarHBondContact O-N 2.8Å; S600-M602 WeakPolarHBondContact OG-CB 3.43Å; S600-M602 PolarHBondContact OG-N 3Å; S600-V603 PolarHBondContact O-N 3.2Å
601E72.2Confident76.4Confident79 Ų7940.8 Ų40.837%0.36920%0.201SC..Hα-helixtrans-58.9-14.3175-71-62.2128.100113.9K604 R605E601-K604 WeakPolarHBondContact OE1-CD 3.42Å; E601-K604 IonicContact OE1-NZ 3.53Å; E601-K604 PolarHBondContact OE1-NZ 2.73Å; E601-R605 WeakPolarHBondContact O-CB 3.31Å; E601-R605 WeakPolarHBondContact O-CG 3.2Å; E601-R605 PolarHBondContact O-N 2.65Å
602M70.6Confident75.1Confident1 Ų144.5 Ų44.51%0.00522%0.217CC..Hα-helixtrans-63.3-44.6176.8-179.2177.848.300112.2V558 L562 A571 L574 F597 S600 R605 T606 V610V558-M602 HydrophobicContact CG1-CB 3.62Å; V558-M602 HydrophobicContact CG1-CE 4.42Å; V558-M602 HydrophobicContact CG1-CG 4.41Å; V558-M602 HydrophobicContact CG1-SD 4.31Å; L562-M602 HydrophobicContact CD1-CB 4.05Å; L562-M602 HydrophobicContact CD1-CG 4.41Å; A571-M602 HydrophobicContact CB-SD 4.4Å; L574-M602 HydrophobicContact CD1-CE 3.75Å; L574-M602 HydrophobicContact CD1-SD 3.53Å; L574-M602 VanDerWaalsContact CD1-SD 3.53Å; F597-M602 HydrophobicContact CB-CE 4.06Å; F597-M602 HydrophobicContact CD1-CE 3.9Å; F597-M602 HydrophobicContact CG-CE 4Å; S600-M602 PolarHBondContact O-N 2.8Å; S600-M602 WeakPolarHBondContact OG-CB 3.43Å; S600-M602 PolarHBondContact OG-N 3Å; M602-R605 PolarHBondContact O-N 2.72Å; M602-T606 HydrophobicContact CG-CG2 3.82Å; M602-T606 VanDerWaalsContact O-CB 3.25Å; M602-T606 WeakPolarHBondContact O-CB 3.03Å; M602-T606 VanDerWaalsContact O-CG2 3.28Å; M602-T606 WeakPolarHBondContact O-CG2 3.31Å; M602-T606 PolarHBondContact O-N 3.32Å; M602-T606 PolarHBondContact O-OG1 3.01Å; M602-V610 HydrophobicContact CE-CG1 4.17Å; M602-V610 HydrophobicContact CE-CG2 3.62Å; M602-V610 HydrophobicContact CG-CG2 3.98Å; M602-V610 HydrophobicContact SD-CG2 3.74Å
603V70.8Confident73.7Confident3 Ų342.7 Ų42.72%0.01821%0.209CC..Hα-helixtrans-70.6-41.2-178.5-176.50000110.5F597 S600 R605 T606 G607 V610 V641 L642F597-V603 WeakPolarHBondContact O-CG2 3.41Å; S600-V603 PolarHBondContact O-N 3.2Å; V603-R605 PolarHBondContact O-N 2.97Å; V603-T606 PolarHBondContact O-N 3.47Å; V603-G607 VanDerWaalsContact O-CA 3.3Å; V603-G607 WeakPolarHBondContact O-CA 3.21Å; V603-G607 PolarHBondContact O-N 3.36Å; V603-V610 HydrophobicContact CG2-CB 3.79Å; V603-V610 HydrophobicContact CG2-CG1 3.79Å; V603-V610 HydrophobicContact CG2-CG2 4.28Å; V603-V641 HydrophobicContact CB-CG1 4.03Å; V603-V641 HydrophobicContact CG1-CG1 3.64Å; V603-L642 HydrophobicContact CG1-CD2 4.42Å
604K69Low72.5Confident102 Ų10242.6 Ų42.644%0.44321%0.209SC..Hα-helixtrans-56.2-36.6174.1-63.2-178-166.8165.20112.5E601 V641E601-K604 WeakPolarHBondContact OE1-CD 3.42Å; E601-K604 IonicContact OE1-NZ 3.53Å; E601-K604 PolarHBondContact OE1-NZ 2.73Å; K604-V641 HydrophobicContact CG-CG1 3.98Å
605R67.1Low71.5Confident159 Ų15942.7 Ų42.760%0.621%0.209SC*.Hα-helixtrans-90.1-36.4179.8-66.6-176.8-178.1-164.42.2114.7Q567 E601 M602 V603Q567-R605 VanDerWaalsContact NE2-CB 3.28Å; Q567-R605 PolarHBondContact NE2-O 3.33Å; E601-R605 WeakPolarHBondContact O-CB 3.31Å; E601-R605 WeakPolarHBondContact O-CG 3.2Å; E601-R605 PolarHBondContact O-N 2.65Å; M602-R605 PolarHBondContact O-N 2.72Å; V603-R605 PolarHBondContact O-N 2.97Å
606T64.7Low70.7Confident24 Ų2443.6 Ų43.615%0.14722%0.224CC..Hα-helixtrans-85.7-23.9-176.958.50000112.2Q567 A571 M602 V603 V608Q567-T606 HydrophobicContact CG-CG2 3.57Å; Q567-T606 VanDerWaalsContact NE2-CA 3.31Å; A571-T606 HydrophobicContact CB-CG2 4.36Å; M602-T606 HydrophobicContact CG-CG2 3.82Å; M602-T606 VanDerWaalsContact O-CB 3.25Å; M602-T606 WeakPolarHBondContact O-CB 3.03Å; M602-T606 VanDerWaalsContact O-CG2 3.28Å; M602-T606 WeakPolarHBondContact O-CG2 3.31Å; M602-T606 PolarHBondContact O-N 3.32Å; M602-T606 PolarHBondContact O-OG1 3.01Å; V603-T606 PolarHBondContact O-N 3.47Å; T606-V608 PolarHBondContact O-N 3.45Å
607G59.5Low70.1Confident30 Ų3042.2 Ų42.231%0.30922%0.22SC..  trans66.9-27.317400000116.6V603 L642V603-G607 VanDerWaalsContact O-CA 3.3Å; V603-G607 WeakPolarHBondContact O-CA 3.21Å; V603-G607 PolarHBondContact O-N 3.36Å; G607-L642 WeakPolarHBondContact O-CD2 3.44Å
608V60Low69.9Low37 Ų3742 Ų4222%0.22422%0.219CC..SBendtrans-145.3-36.6-162.9-154.80000114.9T606 V610 S611 F612T606-V608 PolarHBondContact O-N 3.45Å; V608-V610 PolarHBondContact O-N 3.26Å; V608-S611 PolarHBondContact O-OG 3.08Å; V608-F612 HydrophobicContact CB-CE2 4.19Å; V608-F612 HydrophobicContact CG1-CD2 4.32Å; V608-F612 HydrophobicContact CG1-CE1 4.32Å; V608-F612 HydrophobicContact CG1-CE2 3.31Å; V608-F612 HydrophobicContact CG1-CZ 3.31Å; V608-F612 WeakPolarHBondContact O-CD2 3.3Å; V608-F612 WeakPolarHBondContact O-CE2 3.47Å
609H63Low69.9Low109 Ų10945.6 Ų45.651%0.50523%0.234SC..THydrogen-bonded Turntrans-71.4-35.6-168.8-85.5-79.2000114.4
610V61.8Low69.7Low6 Ų643.6 Ų43.64%0.03622%0.224CC..THydrogen-bonded Turntrans-78.6-36.5-175.8-1780000111.2F597 M602 V603 V608 F612 L613 T614F597-V610 HydrophobicContact CB-CG1 4.35Å; M602-V610 HydrophobicContact CE-CG1 4.17Å; M602-V610 HydrophobicContact CE-CG2 3.62Å; M602-V610 HydrophobicContact CG-CG2 3.98Å; M602-V610 HydrophobicContact SD-CG2 3.74Å; V603-V610 HydrophobicContact CG2-CB 3.79Å; V603-V610 HydrophobicContact CG2-CG1 3.79Å; V603-V610 HydrophobicContact CG2-CG2 4.28Å; V608-V610 PolarHBondContact O-N 3.26Å; V610-F612 PolarHBondContact O-N 3.43Å; V610-L613 WeakPolarHBondContact O-CB 3.35Å; V610-L613 PolarHBondContact O-N 3.37Å; V610-T614 HydrophobicContact CG1-CG2 4.41Å; V610-T614 PolarHBondContact O-N 3.03Å
611S63.1Low69.9Low3 Ų343.1 Ų43.12%0.02122%0.22CC..Hα-helixtrans-60.4-31.2177.851.50000112.7V608 L613 T614 T615V608-S611 PolarHBondContact O-OG 3.08Å; S611-L613 PolarHBondContact O-N 3.33Å; S611-T614 WeakPolarHBondContact CA-OG1 3.34Å; S611-T614 PolarHBondContact O-N 3.45Å; S611-T614 PolarHBondContact O-OG1 3.5Å; S611-T615 PolarHBondContact O-N 3.01Å; S611-T615 PolarHBondContact O-OG1 2.76Å; S611-T615 VanDerWaalsContact O-OG1 3.14Å
612F64.3Low70.5Confident80 Ų8039.6 Ų39.635%0.35120%0.203SC..Hα-helixtrans-64.4-28.3175.4-64.8-51.6000113.2V608 V610 T615 F658V608-F612 HydrophobicContact CB-CE2 4.19Å; V608-F612 HydrophobicContact CG1-CD2 4.32Å; V608-F612 HydrophobicContact CG1-CE1 4.32Å; V608-F612 HydrophobicContact CG1-CE2 3.31Å; V608-F612 HydrophobicContact CG1-CZ 3.31Å; V608-F612 WeakPolarHBondContact O-CD2 3.3Å; V608-F612 WeakPolarHBondContact O-CE2 3.47Å; V610-F612 PolarHBondContact O-N 3.43Å; F612-T615 PolarHBondContact O-OG1 2.99Å; F612-F658 AromaticContact CD1-CD1 3.64Å; F612-F658 HydrophobicContact CD1-CD1 3.64Å; F612-F658 AromaticContact CD1-CE1 3.55Å; F612-F658 HydrophobicContact CD1-CE1 3.55Å; F612-F658 HydrophobicContact CD1-CE2 4.45Å; F612-F658 HydrophobicContact CD1-CG 4.15Å; F612-F658 AromaticContact CD1-CZ 3.98Å; F612-F658 HydrophobicContact CD1-CZ 3.98Å; F612-F658 HydrophobicContact CE1-CB 4.45Å; F612-F658 AromaticContact CE1-CD1 3.88Å; F612-F658 HydrophobicContact CE1-CD1 3.88Å; F612-F658 HydrophobicContact CE1-CD2 4.48Å; F612-F658 HydrophobicContact CE1-CE1 4.24Å; F612-F658 HydrophobicContact CE1-CG 4.01Å
613L62Low71.1Confident45 Ų4544.4 Ų44.424%0.23623%0.226CC..Hα-helixtrans-83.4-40.1-179.5-59.1159.5000111.2A575 V610 S611 T615 G616 A617A575-L613 HydrophobicContact CB-CD1 3.31Å; A575-L613 HydrophobicContact CB-CD2 3.83Å; A575-L613 HydrophobicContact CB-CG 4.16Å; V610-L613 WeakPolarHBondContact O-CB 3.35Å; V610-L613 PolarHBondContact O-N 3.37Å; S611-L613 PolarHBondContact O-N 3.33Å; L613-T615 PolarHBondContact O-N 2.93Å; L613-G616 PolarHBondContact O-N 2.86Å; L613-A617 PolarHBondContact O-N 2.9Å
614T67.8Low71.7Confident0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-63.4-44.3-17860.10000110.1L594 V598 V610 S611 G616 V618 I634L594-T614 HydrophobicContact CB-CG2 4.49Å; L594-T614 HydrophobicContact CD2-CG2 3.9Å; V598-T614 HydrophobicContact CG2-CG2 3.38Å; V610-T614 HydrophobicContact CG1-CG2 4.41Å; V610-T614 PolarHBondContact O-N 3.03Å; S611-T614 WeakPolarHBondContact CA-OG1 3.34Å; S611-T614 PolarHBondContact O-N 3.45Å; S611-T614 PolarHBondContact O-OG1 3.5Å; T614-G616 PolarHBondContact O-N 2.99Å; T614-V618 VanDerWaalsContact O-CB 3.22Å; T614-V618 WeakPolarHBondContact O-CB 3.14Å; T614-V618 WeakPolarHBondContact O-CG2 3.07Å; T614-V618 PolarHBondContact O-N 3.26Å; T614-I634 HydrophobicContact CG2-CG2 4.44Å
615T67.9Low72.3Confident3 Ų348 Ų482%0.01825%0.25CC..Hα-helixtrans-67-36.5-178.852.80000113.6S611 F612 L613 K619 L635 F658 I659 V662S611-T615 PolarHBondContact O-N 3.01Å; S611-T615 PolarHBondContact O-OG1 2.76Å; S611-T615 VanDerWaalsContact O-OG1 3.14Å; F612-T615 PolarHBondContact O-OG1 2.99Å; L613-T615 PolarHBondContact O-N 2.93Å; T615-K619 VanDerWaalsContact O-CB 3.26Å; T615-K619 WeakPolarHBondContact O-CB 3.4Å; T615-K619 PolarHBondContact O-N 3.41Å; T615-L635 HydrophobicContact CG2-CD2 4.27Å; T615-F658 WeakPolarHBondContact OG1-CE1 2.99Å; T615-I659 HydrophobicContact CG2-CG1 4.39Å; T615-V662 WeakPolarHBondContact O-CG1 3.28Å
616G73.5Confident73.1Confident41 Ų4145 Ų4542%0.42324%0.242SC..Hα-helixtrans-70.1-46.4-179.200000112.3L613 T614 K619 F620L613-G616 PolarHBondContact O-N 2.86Å; T614-G616 PolarHBondContact O-N 2.99Å; G616-K619 PolarHBondContact O-N 3.02Å; G616-F620 PolarHBondContact O-N 3.15Å
617A77.3Confident74.2Confident26 Ų2647.5 Ų47.522%0.21525%0.252CS..Hα-helixtrans-65.4-42.2176.400000111.6L594 L613 F620 Q621L594-A617 HydrophobicContact CD1-CB 3.81Å; L613-A617 PolarHBondContact O-N 2.9Å; A617-F620 PolarHBondContact O-N 2.85Å; A617-Q621 WeakPolarHBondContact O-CG 3.43Å; A617-Q621 PolarHBondContact O-N 2.81Å
618V84.2Confident75.7Confident1 Ų146.8 Ų46.81%0.00624%0.242CC..Hα-helixtrans-65.5-40.4177.9169.80000111.7L591 T614 F620 Q621 I622 C631 I634 L635L591-V618 HydrophobicContact CD2-CG2 4.37Å; T614-V618 VanDerWaalsContact O-CB 3.22Å; T614-V618 WeakPolarHBondContact O-CB 3.14Å; T614-V618 WeakPolarHBondContact O-CG2 3.07Å; T614-V618 PolarHBondContact O-N 3.26Å; V618-F620 VanDerWaalsContact C-N 3.33Å; V618-F620 PolarHBondContact O-N 2.85Å; V618-Q621 PolarHBondContact O-N 2.98Å; V618-Q621 VanDerWaalsContact O-N 3.17Å; V618-I622 HydrophobicContact CG1-CD1 3.52Å; V618-I622 HydrophobicContact CG1-CG1 3.98Å; V618-I622 WeakPolarHBondContact O-CG1 3.32Å; V618-I622 PolarHBondContact O-N 3.09Å; V618-C631 HydrophobicContact CG1-CB 3.68Å; V618-I634 HydrophobicContact CG2-CB 4.03Å; V618-I634 HydrophobicContact CG2-CD1 3.95Å; V618-I634 HydrophobicContact CG2-CG2 3.72Å; V618-L635 HydrophobicContact CG1-CD1 3.81Å; V618-L635 HydrophobicContact CG1-CD2 4.18Å; V618-L635 HydrophobicContact CG1-CG 3.81Å
619K83.3Confident77.1Confident76 Ų7649.6 Ų49.633%0.3325%0.252SS..Hα-helixtrans-55.7-47.8177.4177.6-178.2167.9-174.60111.9T615 G616 Q621 I622 E623 V662T615-K619 VanDerWaalsContact O-CB 3.26Å; T615-K619 WeakPolarHBondContact O-CB 3.4Å; T615-K619 PolarHBondContact O-N 3.41Å; G616-K619 PolarHBondContact O-N 3.02Å; K619-Q621 VanDerWaalsContact C-N 3.28Å; K619-Q621 PolarHBondContact O-N 2.86Å; K619-I622 PolarHBondContact O-N 3.33Å; K619-E623 WeakPolarHBondContact CE-OE1 3.02Å; K619-E623 WeakPolarHBondContact CE-OE2 3.47Å; K619-E623 HydrophobicContact CG-CG 4.35Å; K619-E623 IonicContact NZ-OE1 2.77Å; K619-E623 WeakPolarHBondContact O-CB 3.42Å; K619-E623 WeakPolarHBondContact O-CG 3.47Å; K619-E623 PolarHBondContact O-N 2.92Å; K619-V662 HydrophobicContact CB-CG1 3.82Å; K619-V662 HydrophobicContact CD-CG1 3.88Å; K619-V662 HydrophobicContact CG-CG1 4.33Å
620F81.9Confident78.4Confident70 Ų7045.1 Ų45.131%0.30723%0.232SC..Hα-helixtrans-59.5-39.6179.8-178.5-99.3000112.1E583 G616 A617 V618 E623 N624E583-F620 HydrophobicContact CB-CE1 3.95Å; E583-F620 HydrophobicContact CB-CZ 4.42Å; E583-F620 HydrophobicContact CG-CE1 4.35Å; E583-F620 WeakPolarHBondContact OE2-CZ 3.49Å; G616-F620 PolarHBondContact O-N 3.15Å; A617-F620 PolarHBondContact O-N 2.85Å; V618-F620 VanDerWaalsContact C-N 3.33Å; V618-F620 PolarHBondContact O-N 2.85Å; F620-E623 PolarHBondContact O-N 3.34Å; F620-N624 WeakPolarHBondContact CD1-ND2 3.47Å; F620-N624 WeakPolarHBondContact CE1-ND2 3.33Å; F620-N624 WeakPolarHBondContact CE2-ND2 3.45Å; F620-N624 WeakPolarHBondContact CZ-ND2 3.46Å; F620-N624 WeakPolarHBondContact O-CB 3.23Å; F620-N624 PolarHBondContact O-N 2.94Å; F620-N624 VanDerWaalsContact O-N 3.07Å; F620-N624 PolarHBondContact O-ND2 3.41Å; F620-N624 VanDerWaalsContact O-ND2 3.13Å
621Q84.9Confident79.8Confident11 Ų1144.8 Ų44.85%0.05123%0.23CC..Hα-helixtrans-71.3-39.8178.6-61.9-60.5-30.900112.5T587 L591 A617 V618 K619 N624 N625 E626 C631T587-Q621 VanDerWaalsContact CG2-CD 3.47Å; T587-Q621 HydrophobicContact CG2-CG 4.44Å; L591-Q621 HydrophobicContact CD1-CG 4.29Å; L591-Q621 HydrophobicContact CD2-CG 4.32Å; A617-Q621 WeakPolarHBondContact O-CG 3.43Å; A617-Q621 PolarHBondContact O-N 2.81Å; V618-Q621 PolarHBondContact O-N 2.98Å; V618-Q621 VanDerWaalsContact O-N 3.17Å; K619-Q621 VanDerWaalsContact C-N 3.28Å; K619-Q621 PolarHBondContact O-N 2.86Å; Q621-N624 PolarHBondContact O-N 3.46Å; Q621-N625 PolarHBondContact O-N 3.27Å; Q621-E626 PolarHBondContact O-N 3.05Å; Q621-E626 PolarHBondContact OE1-OE2 3.43Å; Q621-C631 VanDerWaalsContact CB-SG 3.58Å
622I84.6Confident81.1Confident4 Ų444.7 Ų44.72%0.02123%0.229CC..Hα-helixtrans-61.7-42.1172.6-71178.9000111V618 K619 N625 C631 L635 P666 V670 Y686V618-I622 HydrophobicContact CG1-CD1 3.52Å; V618-I622 HydrophobicContact CG1-CG1 3.98Å; V618-I622 WeakPolarHBondContact O-CG1 3.32Å; V618-I622 PolarHBondContact O-N 3.09Å; K619-I622 PolarHBondContact O-N 3.33Å; I622-N625 PolarHBondContact O-N 3.37Å; I622-C631 HydrophobicContact CD1-CB 4.14Å; I622-C631 HydrophobicContact CG1-CB 3.78Å; I622-L635 HydrophobicContact CD1-CD1 3.74Å; I622-P666 HydrophobicContact CG2-CB 3.89Å; I622-V670 HydrophobicContact CG2-CG2 3.57Å; I622-Y686 HydrophobicContact CD1-CE1 4.43Å
623E82.8Confident82.3Confident103 Ų10344.5 Ų44.548%0.48123%0.23SC..Hα-helixtrans-67.8-35.2178.8-74.717815800112.5K619 F620K619-E623 WeakPolarHBondContact CE-OE1 3.02Å; K619-E623 WeakPolarHBondContact CE-OE2 3.47Å; K619-E623 HydrophobicContact CG-CG 4.35Å; K619-E623 IonicContact NZ-OE1 2.77Å; K619-E623 WeakPolarHBondContact O-CB 3.42Å; K619-E623 WeakPolarHBondContact O-CG 3.47Å; K619-E623 PolarHBondContact O-N 2.92Å; F620-E623 PolarHBondContact O-N 3.34Å
624N83.1Confident83.7Confident81 Ų8142.4 Ų42.443%0.43322%0.218SC..Hα-helixtrans-87-1.7177.6-67.6-33.5000114.5F620 Q621F620-N624 WeakPolarHBondContact CD1-ND2 3.47Å; F620-N624 WeakPolarHBondContact CE1-ND2 3.33Å; F620-N624 WeakPolarHBondContact CE2-ND2 3.45Å; F620-N624 WeakPolarHBondContact CZ-ND2 3.46Å; F620-N624 WeakPolarHBondContact O-CB 3.23Å; F620-N624 PolarHBondContact O-N 2.94Å; F620-N624 VanDerWaalsContact O-N 3.07Å; F620-N624 PolarHBondContact O-ND2 3.41Å; F620-N624 VanDerWaalsContact O-ND2 3.13Å; Q621-N624 PolarHBondContact O-N 3.46Å
625N81.6Confident84.7Confident99 Ų9942.8 Ų42.853%0.52922%0.221SC..THydrogen-bonded Turntrans6338.6-179.8-157.271.1000113.9Q621 I622 L628Q621-N625 PolarHBondContact O-N 3.27Å; I622-N625 PolarHBondContact O-N 3.37Å; N625-L628 WeakPolarHBondContact OD1-CD1 3.48Å
626E84Confident85.7Confident95 Ų9544.6 Ų44.644%0.44423%0.232SC..  trans-116.3140.4-179.9-68.9-174.6-177.900111.2Q621 L628Q621-E626 PolarHBondContact O-N 3.05Å; Q621-E626 PolarHBondContact OE1-OE2 3.43Å; E626-L628 PolarHBondContact O-N 2.97Å; E626-L628 VanDerWaalsContact O-N 3.09Å
627E88.1Confident86.3Confident77 Ų7743 Ų4336%0.3621%0.214SC..SBendtrans48.240.4175.7-61.8-71.8171.900114.1L591 E629 L630 C631L591-E627 HydrophobicContact CD1-CB 3.51Å; L591-E627 HydrophobicContact CD1-CG 4.04Å; E627-E629 VanDerWaalsContact C-N 3.26Å; E627-E629 PolarHBondContact O-N 3.36Å; E627-L630 HydrophobicContact CB-CB 4.44Å; E627-L630 PolarHBondContact O-N 2.8Å; E627-L630 VanDerWaalsContact O-N 3.1Å; E627-C631 PolarHBondContact O-N 3.32Å; E627-C631 PolarHBondContact O-SG 3.5Å; E627-C631 VanDerWaalsContact O-SG 3.33Å
628L89.5Confident86.6Confident16 Ų1641.9 Ų41.98%0.08421%0.205CC..Hα-helixtrans-56.1-37.2-173.7-68.6-178000113.6N625 E626 C631 A632 V670 L674 I682 Y686N625-L628 WeakPolarHBondContact OD1-CD1 3.48Å; E626-L628 PolarHBondContact O-N 2.97Å; E626-L628 VanDerWaalsContact O-N 3.09Å; L628-C631 WeakPolarHBondContact O-CB 3.49Å; L628-C631 PolarHBondContact O-N 3.19Å; L628-A632 PolarHBondContact O-N 2.93Å; L628-V670 HydrophobicContact CD1-CG1 4.46Å; L628-L674 HydrophobicContact CD1-CD2 4.49Å; L628-I682 HydrophobicContact CB-CG2 4.38Å; L628-Y686 HydrophobicContact CB-CE2 4.11Å; L628-Y686 VanDerWaalsContact O-CE2 3.3Å; L628-Y686 WeakPolarHBondContact O-CE2 3.33Å; L628-Y686 PolarHBondContact O-OH 2.81Å
629E90Very high86.6Confident96 Ų9642.4 Ų42.445%0.44921%0.208SC..Hα-helixtrans-63.1-47.3178.1-172.5-179.1-177.300111.2E627 C631 A632 Q633E627-E629 VanDerWaalsContact C-N 3.26Å; E627-E629 PolarHBondContact O-N 3.36Å; E629-C631 VanDerWaalsContact C-N 3.32Å; E629-C631 PolarHBondContact O-N 3.45Å; E629-A632 WeakPolarHBondContact O-CB 3.28Å; E629-A632 PolarHBondContact O-N 2.89Å; E629-Q633 WeakPolarHBondContact O-CG 3.38Å; E629-Q633 PolarHBondContact O-N 2.98Å
630L90.2Very high86.6Confident14 Ų1444.9 Ų44.97%0.07322%0.22CC..Hα-helixtrans-68.4-35179.7-16757.8000111.2K588 L591 M592 L595 E627 Q633 I634K588-L630 HydrophobicContact CG-CD2 4.39Å; L591-L630 HydrophobicContact CB-CD2 3.26Å; L591-L630 HydrophobicContact CB-CG 3.82Å; L591-L630 HydrophobicContact CD1-CD2 4.07Å; L591-L630 HydrophobicContact CD1-CG 4.47Å; L591-L630 HydrophobicContact CG-CD2 4.33Å; M592-L630 HydrophobicContact CG-CD2 4.05Å; L595-L630 HydrophobicContact CD2-CD1 4.01Å; E627-L630 HydrophobicContact CB-CB 4.44Å; E627-L630 PolarHBondContact O-N 2.8Å; E627-L630 VanDerWaalsContact O-N 3.1Å; L630-Q633 PolarHBondContact O-N 3.2Å; L630-I634 HydrophobicContact CG-CD1 4.28Å; L630-I634 WeakPolarHBondContact O-CD1 3.48Å; L630-I634 VanDerWaalsContact O-CG1 3.23Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 3.35Å
631C91.1Very high86.5Confident0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-59.3-44.4171-69.20000112.2V618 Q621 I622 E627 L628 E629 I634 L635V618-C631 HydrophobicContact CG1-CB 3.68Å; Q621-C631 VanDerWaalsContact CB-SG 3.58Å; I622-C631 HydrophobicContact CD1-CB 4.14Å; I622-C631 HydrophobicContact CG1-CB 3.78Å; E627-C631 PolarHBondContact O-N 3.32Å; E627-C631 PolarHBondContact O-SG 3.5Å; E627-C631 VanDerWaalsContact O-SG 3.33Å; L628-C631 WeakPolarHBondContact O-CB 3.49Å; L628-C631 PolarHBondContact O-N 3.19Å; E629-C631 VanDerWaalsContact C-N 3.32Å; E629-C631 PolarHBondContact O-N 3.45Å; C631-I634 PolarHBondContact O-N 3.16Å; C631-L635 WeakPolarHBondContact O-CG 3.32Å; C631-L635 PolarHBondContact O-N 3.46Å
632A90Very high86.1Confident1 Ų143.4 Ų43.41%0.00822%0.217CC..Hα-helixtrans-63.7-43.5175.800000111.7L628 E629 I634 L635 T636 Q685 Y686L628-A632 PolarHBondContact O-N 2.93Å; E629-A632 WeakPolarHBondContact O-CB 3.28Å; E629-A632 PolarHBondContact O-N 2.89Å; A632-I634 PolarHBondContact O-N 3.41Å; A632-L635 PolarHBondContact O-N 3.04Å; A632-T636 VanDerWaalsContact O-CB 3.28Å; A632-T636 WeakPolarHBondContact O-CB 3.34Å; A632-T636 PolarHBondContact O-N 3.47Å; A632-T636 PolarHBondContact O-OG1 3.03Å; A632-Q685 HydrophobicContact CB-CB 4.31Å; A632-Y686 HydrophobicContact CB-CD2 4.04Å; A632-Y686 HydrophobicContact CB-CE2 3.68Å
633Q91.4Very high85.7Confident76 Ų7644.2 Ų44.236%0.35522%0.22SC..Hα-helixtrans-60.4-44.7176.4-69.3175.421.600112L595 E629 L630 T636 A637L595-Q633 HydrophobicContact CD1-CB 4.5Å; L595-Q633 HydrophobicContact CD2-CB 4.48Å; E629-Q633 WeakPolarHBondContact O-CG 3.38Å; E629-Q633 PolarHBondContact O-N 2.98Å; L630-Q633 PolarHBondContact O-N 3.2Å; Q633-T636 PolarHBondContact O-N 3.42Å; Q633-A637 VanDerWaalsContact O-CB 3.3Å; Q633-A637 WeakPolarHBondContact O-CB 3.23Å; Q633-A637 PolarHBondContact O-N 3.21Å
634I89.7Confident85.1Confident0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-64.1-46.3178.7-67162000111.2L591 L594 L595 V598 T614 V618 L630 C631 A632 T638L591-I634 HydrophobicContact CB-CD1 3.96Å; L591-I634 HydrophobicContact CD2-CD1 3.77Å; L591-I634 HydrophobicContact CG-CD1 4.44Å; L591-I634 WeakPolarHBondContact O-CD1 3.39Å; L594-I634 HydrophobicContact CB-CD1 4.33Å; L595-I634 HydrophobicContact CB-CG1 3.91Å; L595-I634 HydrophobicContact CD1-CG1 4.21Å; V598-I634 HydrophobicContact CG2-CG2 4.44Å; T614-I634 HydrophobicContact CG2-CG2 4.44Å; V618-I634 HydrophobicContact CG2-CB 4.03Å; V618-I634 HydrophobicContact CG2-CD1 3.95Å; V618-I634 HydrophobicContact CG2-CG2 3.72Å; L630-I634 HydrophobicContact CG-CD1 4.28Å; L630-I634 WeakPolarHBondContact O-CD1 3.48Å; L630-I634 VanDerWaalsContact O-CG1 3.23Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 3.35Å; C631-I634 PolarHBondContact O-N 3.16Å; A632-I634 PolarHBondContact O-N 3.41Å; I634-T638 VanDerWaalsContact O-CB 3.31Å; I634-T638 WeakPolarHBondContact O-CB 3.45Å; I634-T638 PolarHBondContact O-N 2.84Å; I634-T638 PolarHBondContact O-OG1 2.89Å
635L88.7Confident84.2Confident9 Ų945.1 Ų45.15%0.04722%0.221CC..Hα-helixtrans-66.2-40179.3-70.4174.8000111.4T615 V618 I622 C631 A632 T638 M639 A663 V667 L689T615-L635 HydrophobicContact CG2-CD2 4.27Å; V618-L635 HydrophobicContact CG1-CD1 3.81Å; V618-L635 HydrophobicContact CG1-CD2 4.18Å; V618-L635 HydrophobicContact CG1-CG 3.81Å; I622-L635 HydrophobicContact CD1-CD1 3.74Å; C631-L635 WeakPolarHBondContact O-CG 3.32Å; C631-L635 PolarHBondContact O-N 3.46Å; A632-L635 PolarHBondContact O-N 3.04Å; L635-T638 WeakPolarHBondContact O-CB 3.3Å; L635-T638 PolarHBondContact O-N 3.48Å; L635-M639 WeakPolarHBondContact O-CG 3.42Å; L635-M639 PolarHBondContact O-N 3.28Å; L635-A663 HydrophobicContact CD1-CB 4.39Å; L635-A663 HydrophobicContact CD2-CB 4.43Å; L635-V667 HydrophobicContact CD1-CG2 4.39Å; L635-L689 HydrophobicContact CB-CD1 3.77Å; L635-L689 HydrophobicContact CB-CD2 3.7Å; L635-L689 HydrophobicContact CB-CG 4.4Å; L635-L689 HydrophobicContact CD1-CD2 3.75Å; L635-L689 HydrophobicContact CG-CD2 4.38Å
636T88.8Confident82.9Confident40 Ų4050.9 Ų50.925%0.24524%0.235CC..Hα-helixtrans-63.5-50.7177-55.40000110.8A632 Q633 T638 M639 E640A632-T636 VanDerWaalsContact O-CB 3.28Å; A632-T636 WeakPolarHBondContact O-CB 3.34Å; A632-T636 PolarHBondContact O-N 3.47Å; A632-T636 PolarHBondContact O-OG1 3.03Å; Q633-T636 PolarHBondContact O-N 3.42Å; T636-T638 PolarHBondContact O-N 3.39Å; T636-M639 WeakPolarHBondContact O-CB 3.44Å; T636-M639 PolarHBondContact O-N 3.05Å; T636-M639 VanDerWaalsContact O-N 3.07Å; T636-E640 WeakPolarHBondContact O-CG 3.5Å; T636-E640 PolarHBondContact O-N 3.47Å
637A87.7Confident81.4Confident7 Ų752 Ų526%0.05824%0.244CC..Hα-helixtrans-59.5-35.5175.300000112.1L595 V598 Q599 Q633 V641L595-A637 HydrophobicContact CD1-CB 3.97Å; V598-A637 HydrophobicContact CG1-CB 3.74Å; Q599-A637 HydrophobicContact CG-CB 4.48Å; Q633-A637 VanDerWaalsContact O-CB 3.3Å; Q633-A637 WeakPolarHBondContact O-CB 3.23Å; Q633-A637 PolarHBondContact O-N 3.21Å; A637-V641 VanDerWaalsContact O-CG2 3.31Å; A637-V641 WeakPolarHBondContact O-CG2 3.49Å; A637-V641 PolarHBondContact O-N 2.83Å
638T84Confident79.6Confident3 Ų350.6 Ų50.62%0.01824%0.242CC..Hα-helixtrans-66.1-43.4175.8-59.20000110.9I634 L635 T636 L642I634-T638 VanDerWaalsContact O-CB 3.31Å; I634-T638 WeakPolarHBondContact O-CB 3.45Å; I634-T638 PolarHBondContact O-N 2.84Å; I634-T638 PolarHBondContact O-OG1 2.89Å; L635-T638 WeakPolarHBondContact O-CB 3.3Å; L635-T638 PolarHBondContact O-N 3.48Å; T636-T638 PolarHBondContact O-N 3.39Å; T638-L642 HydrophobicContact CG2-CD1 3.67Å; T638-L642 HydrophobicContact CG2-CG 4.33Å; T638-L642 WeakPolarHBondContact O-CB 3.29Å; T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.31Å; T638-L642 PolarHBondContact O-N 3.07Å; T638-L642 VanDerWaalsContact O-N 3.08Å
639M82.8Confident77.6Confident13 Ų1360.3 Ų60.36%0.06428%0.284CS..Hα-helixtrans-63.6-45.5176.2-71.3-62.3-6600111.4L635 T636 V641 L642 F643 I659 L689 L693 E696L635-M639 WeakPolarHBondContact O-CG 3.42Å; L635-M639 PolarHBondContact O-N 3.28Å; T636-M639 WeakPolarHBondContact O-CB 3.44Å; T636-M639 PolarHBondContact O-N 3.05Å; T636-M639 VanDerWaalsContact O-N 3.07Å; M639-V641 PolarHBondContact O-N 2.75Å; M639-L642 PolarHBondContact O-N 3.17Å; M639-F643 HydrophobicContact CE-CD2 3.57Å; M639-F643 HydrophobicContact CE-CE2 3.69Å; M639-F643 HydrophobicContact CE-CG 4.43Å; M639-F643 WeakPolarHBondContact O-CB 3.26Å; M639-F643 WeakPolarHBondContact O-CD2 3.32Å; M639-F643 PolarHBondContact O-N 3.38Å; M639-F643 HydrophobicContact SD-CD2 3.81Å; M639-F643 HydrophobicContact SD-CE2 3.57Å; M639-F643 VanDerWaalsContact SD-CE2 3.57Å; M639-I659 HydrophobicContact SD-CD1 4.45Å; M639-I659 HydrophobicContact SD-CG2 4.12Å; M639-L689 HydrophobicContact CG-CD1 4.34Å; M639-L693 HydrophobicContact CE-CD2 3.94Å; M639-L693 HydrophobicContact CG-CD2 4.32Å; M639-L693 HydrophobicContact SD-CD2 3.61Å; M639-E696 HydrophobicContact CE-CG 3.99Å
640E83.3Confident75.5Confident128 Ų12859.9 Ų59.960%0.59829%0.291SS*.Hα-helixtrans-59-46.1178.3-73.1176.5-179.700112.1T636 D644T636-E640 WeakPolarHBondContact O-CG 3.5Å; T636-E640 PolarHBondContact O-N 3.47Å; E640-D644 WeakPolarHBondContact O-CB 3.49Å; E640-D644 PolarHBondContact O-N 3.36Å; E640-D644 VanDerWaalsContact O-N 3.07Å
641V79.8Confident73.8Confident29 Ų2961.2 Ų61.218%0.17630%0.304CS..Hα-helixtrans-71.7-37.9-178174.40000112.2V603 K604 A637 M639V603-V641 HydrophobicContact CB-CG1 4.03Å; V603-V641 HydrophobicContact CG1-CG1 3.64Å; K604-V641 HydrophobicContact CG-CG1 3.98Å; A637-V641 VanDerWaalsContact O-CG2 3.31Å; A637-V641 WeakPolarHBondContact O-CG2 3.49Å; A637-V641 PolarHBondContact O-N 2.83Å; M639-V641 PolarHBondContact O-N 2.75Å
642L76.9Confident72.4Confident21 Ų2165.2 Ų65.211%0.1133%0.326CS..Hα-helixtrans-79.9-32.4-176.7-68.3178.3000113.5V603 G607 T638 M639 T655 I659V603-L642 HydrophobicContact CG1-CD2 4.42Å; G607-L642 WeakPolarHBondContact O-CD2 3.44Å; T638-L642 HydrophobicContact CG2-CD1 3.67Å; T638-L642 HydrophobicContact CG2-CG 4.33Å; T638-L642 WeakPolarHBondContact O-CB 3.29Å; T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.31Å; T638-L642 PolarHBondContact O-N 3.07Å; T638-L642 VanDerWaalsContact O-N 3.08Å; M639-L642 PolarHBondContact O-N 3.17Å; L642-T655 HydrophobicContact CD1-CG2 4.1Å; L642-I659 HydrophobicContact CD1-CD1 3.53Å
643F75.4Confident71.4Confident20 Ų2068.6 Ų68.69%0.08835%0.349CS..Hα-helixtrans-112.917.1-174.9-57.1-81.3000112.9M639 K645 A651 L656 I659 E696M639-F643 HydrophobicContact CE-CD2 3.57Å; M639-F643 HydrophobicContact CE-CE2 3.69Å; M639-F643 HydrophobicContact CE-CG 4.43Å; M639-F643 WeakPolarHBondContact O-CB 3.26Å; M639-F643 WeakPolarHBondContact O-CD2 3.32Å; M639-F643 PolarHBondContact O-N 3.38Å; M639-F643 HydrophobicContact SD-CD2 3.81Å; M639-F643 HydrophobicContact SD-CE2 3.57Å; M639-F643 VanDerWaalsContact SD-CE2 3.57Å; F643-K645 PolarHBondContact O-N 3.06Å; F643-A651 HydrophobicContact CD1-CB 3.85Å; F643-A651 HydrophobicContact CE1-CB 3.79Å; F643-L656 HydrophobicContact CE1-CB 4.01Å; F643-L656 HydrophobicContact CE1-CD1 3.78Å; F643-L656 HydrophobicContact CE1-CD2 4.5Å; F643-L656 HydrophobicContact CE1-CG 4.3Å; F643-L656 HydrophobicContact CE2-CD1 4.2Å; F643-L656 HydrophobicContact CZ-CB 3.84Å; F643-L656 HydrophobicContact CZ-CD1 3.44Å; F643-L656 VanDerWaalsContact CZ-CD1 3.44Å; F643-L656 HydrophobicContact CZ-CG 4.19Å; F643-I659 HydrophobicContact CE2-CD1 3.98Å; F643-I659 HydrophobicContact CZ-CD1 4.33Å; F643-E696 HydrophobicContact CB-CG 4.32Å; F643-E696 HydrophobicContact CD1-CG 4.08Å; F643-E696 HydrophobicContact CD2-CG 4.5Å; F643-E696 HydrophobicContact CG-CG 4.04Å
644D70.3Confident70.6Confident42 Ų4267.3 Ų67.323%0.22536%0.356CS..  trans-56.7111.5170.6-171.1-11.1000109.7E640 R646 L647 S648E640-D644 WeakPolarHBondContact O-CB 3.49Å; E640-D644 PolarHBondContact O-N 3.36Å; E640-D644 VanDerWaalsContact O-N 3.07Å; D644-R646 PolarHBondContact O-N 3.05Å; D644-R646 WeakPolarHBondContact OD1-CB 3.11Å; D644-R646 PolarHBondContact OD1-N 2.95Å; D644-R646 IonicContact OD1-NE 4Å; D644-R646 IonicContact OD2-NE 2.7Å; D644-L647 HydrophobicContact CB-CB 4.35Å; D644-L647 HydrophobicContact CB-CD1 4.17Å; D644-L647 HydrophobicContact CB-CG 4.46Å; D644-L647 PolarHBondContact O-N 2.98Å; D644-S648 PolarHBondContact O-N 2.67Å
645K64Low70Confident161 Ų16168 Ų6870%0.736%0.36SS*.THydrogen-bonded Turntrans-57.5-19.5179.7-65178.3-178.2168.80112.1F643 E695F643-K645 PolarHBondContact O-N 3.06Å; K645-E695 IonicContact NZ-OE1 2.66Å; K645-E695 PolarHBondContact NZ-OE1 3.5Å
646R55.6Low69.7Low221 Ų22168 Ų6883%0.83436%0.361SS*.THydrogen-bonded Turntrans-78-33.2175.2-66.6-179.1-84.7-163-9.4113.7D644D644-R646 PolarHBondContact O-N 3.05Å; D644-R646 WeakPolarHBondContact OD1-CB 3.11Å; D644-R646 PolarHBondContact OD1-N 2.95Å; D644-R646 IonicContact OD1-NE 4Å; D644-R646 IonicContact OD2-NE 2.7Å
647L52.6Low69.4Low119 Ų11967.1 Ų67.162%0.62335%0.354SS*.THydrogen-bonded Turntrans-100-30.7-171.9-68.8167000112.6D644D644-L647 HydrophobicContact CB-CB 4.35Å; D644-L647 HydrophobicContact CB-CD1 4.17Å; D644-L647 HydrophobicContact CB-CG 4.46Å; D644-L647 PolarHBondContact O-N 2.98Å
648S50.4Low69.1Low46 Ų4669.6 Ų69.632%0.32236%0.364SS..  trans-93.2109.1-170.7153.80000112.9D644 A651D644-S648 PolarHBondContact O-N 2.67Å; S648-A651 PolarHBondContact OG-N 3.34Å; S648-A651 VanDerWaalsContact OG-N 3.08Å
649K47.9Very low69.1Low221 Ų22169.7 Ų69.796%0.96136%0.364SS*.SBendtrans-93.4-0.5152.6-77.7-173.5178.3178.50112.8
650S45.7Very low69.2Low86 Ų8669 Ų6960%0.60136%0.361SS*.  trans-162.364.3-175.6-176.90000110.6N652S650-N652 PolarHBondContact O-N 2.93Å; S650-N652 PolarHBondContact OG-OD1 3.04Å
651A53.2Low69.3Low43 Ų4369 Ų6936%0.35536%0.355SS..  trans-60.2107.9154.500000106.6F643 S648 S653F643-A651 HydrophobicContact CD1-CB 3.85Å; F643-A651 HydrophobicContact CE1-CB 3.79Å; S648-A651 PolarHBondContact OG-N 3.34Å; S648-A651 VanDerWaalsContact OG-N 3.08Å; A651-S653 PolarHBondContact O-N 3.47Å; A651-S653 VanDerWaalsContact O-N 3.08Å
652N62.5Low69.5Low84 Ų8468.6 Ų68.645%0.44935%0.353SS..  trans-59.5118-179.3-71.4-28.7000107.6S650 G654 T655 L656S650-N652 PolarHBondContact O-N 2.93Å; S650-N652 PolarHBondContact OG-OD1 3.04Å; N652-G654 PolarHBondContact O-N 3.32Å; N652-T655 WeakPolarHBondContact O-CB 3.26Å; N652-T655 PolarHBondContact O-N 3.31Å; N652-L656 PolarHBondContact O-N 3.24Å
653S68.7Low70Confident72 Ų7267.8 Ų67.850%0.50335%0.349SS..Hα-helixtrans-47.6-30174.7172.20000112.2A651 L657A651-S653 PolarHBondContact O-N 3.47Å; A651-S653 VanDerWaalsContact O-N 3.08Å; S653-L657 VanDerWaalsContact O-CB 3.31Å; S653-L657 WeakPolarHBondContact O-CB 3.4Å; S653-L657 PolarHBondContact O-N 3.13Å
654G74.1Confident70.8Confident49 Ų4967 Ų6751%0.50535%0.346SS..Hα-helixtrans-64.8-37.2172.500000115.6N652 F658N652-G654 PolarHBondContact O-N 3.32Å; G654-F658 WeakPolarHBondContact O-CB 3.39Å; G654-F658 PolarHBondContact O-N 3.07Å
655T77.7Confident71.7Confident13 Ų1367.8 Ų67.88%0.0835%0.346CS..Hα-helixtrans-69.5-45.4176.3-53.10000110.6L642 N652 L657 F658 I659L642-T655 HydrophobicContact CD1-CG2 4.1Å; N652-T655 WeakPolarHBondContact O-CB 3.26Å; N652-T655 PolarHBondContact O-N 3.31Å; T655-L657 PolarHBondContact O-N 3.36Å; T655-F658 PolarHBondContact O-N 3.5Å; T655-I659 HydrophobicContact CG2-CD1 4.2Å; T655-I659 WeakPolarHBondContact O-CG1 3.39Å; T655-I659 PolarHBondContact O-N 3.22Å
656L81.3Confident72.9Confident11 Ų1160.8 Ų60.86%0.05832%0.317CS..Hα-helixtrans-57.6-49.3174.9178.864.1000110.8F643 N652 F658 I659 M660 E696 T701F643-L656 HydrophobicContact CE1-CB 4.01Å; F643-L656 HydrophobicContact CE1-CD1 3.78Å; F643-L656 HydrophobicContact CE1-CD2 4.5Å; F643-L656 HydrophobicContact CE1-CG 4.3Å; F643-L656 HydrophobicContact CE2-CD1 4.2Å; F643-L656 HydrophobicContact CZ-CB 3.84Å; F643-L656 HydrophobicContact CZ-CD1 3.44Å; F643-L656 VanDerWaalsContact CZ-CD1 3.44Å; F643-L656 HydrophobicContact CZ-CG 4.19Å; N652-L656 PolarHBondContact O-N 3.24Å; L656-F658 VanDerWaalsContact C-N 3.28Å; L656-F658 PolarHBondContact O-N 3.03Å; L656-I659 PolarHBondContact O-N 2.74Å; L656-M660 HydrophobicContact CD1-CE 3.42Å; L656-M660 VanDerWaalsContact CD1-CE 3.42Å; L656-M660 HydrophobicContact CD1-CG 4.45Å; L656-M660 HydrophobicContact CG-CE 4.37Å; L656-M660 VanDerWaalsContact O-CG 3.29Å; L656-M660 WeakPolarHBondContact O-CG 3.47Å; L656-M660 PolarHBondContact O-N 3.27Å; L656-E696 HydrophobicContact CD1-CB 3.86Å; L656-E696 HydrophobicContact CD2-CB 4.34Å; L656-E696 WeakPolarHBondContact CD2-O 3.36Å; L656-T701 HydrophobicContact CD2-CG2 3.97Å; L656-T701 HydrophobicContact CG-CG2 4.17Å
657L82.8Confident74.6Confident20 Ų2050.3 Ų50.311%0.10528%0.277CS..Hα-helixtrans-59-39.4178.1-17461.8000112S653 T655 M660 R661 T701 E708S653-L657 VanDerWaalsContact O-CB 3.31Å; S653-L657 WeakPolarHBondContact O-CB 3.4Å; S653-L657 PolarHBondContact O-N 3.13Å; T655-L657 PolarHBondContact O-N 3.36Å; L657-M660 PolarHBondContact O-N 3.41Å; L657-R661 VanDerWaalsContact O-CG 3.27Å; L657-R661 WeakPolarHBondContact O-CG 3.26Å; L657-R661 PolarHBondContact O-N 2.93Å; L657-T701 HydrophobicContact CB-CG2 4.43Å; L657-T701 HydrophobicContact CD1-CG2 4.28Å; L657-E708 WeakPolarHBondContact CD2-OE1 3.48Å
658F81.9Confident76.5Confident60 Ų6044.6 Ų44.626%0.26325%0.247SC..Hα-helixtrans-64.8-45.4175179.5-91.4000112.8F612 T615 G654 T655 L656 M660 R661 V662F612-F658 AromaticContact CD1-CD1 3.64Å; F612-F658 HydrophobicContact CD1-CD1 3.64Å; F612-F658 AromaticContact CD1-CE1 3.55Å; F612-F658 HydrophobicContact CD1-CE1 3.55Å; F612-F658 HydrophobicContact CD1-CE2 4.45Å; F612-F658 HydrophobicContact CD1-CG 4.15Å; F612-F658 AromaticContact CD1-CZ 3.98Å; F612-F658 HydrophobicContact CD1-CZ 3.98Å; F612-F658 HydrophobicContact CE1-CB 4.45Å; F612-F658 AromaticContact CE1-CD1 3.88Å; F612-F658 HydrophobicContact CE1-CD1 3.88Å; F612-F658 HydrophobicContact CE1-CD2 4.48Å; F612-F658 HydrophobicContact CE1-CE1 4.24Å; F612-F658 HydrophobicContact CE1-CG 4.01Å; T615-F658 WeakPolarHBondContact OG1-CE1 2.99Å; G654-F658 WeakPolarHBondContact O-CB 3.39Å; G654-F658 PolarHBondContact O-N 3.07Å; T655-F658 PolarHBondContact O-N 3.5Å; L656-F658 VanDerWaalsContact C-N 3.28Å; L656-F658 PolarHBondContact O-N 3.03Å; F658-M660 VanDerWaalsContact C-N 3.28Å; F658-M660 PolarHBondContact O-N 3Å; F658-R661 WeakPolarHBondContact O-CB 3.37Å; F658-R661 PolarHBondContact O-N 3.12Å; F658-V662 HydrophobicContact CD1-CG2 4.36Å; F658-V662 HydrophobicContact CE1-CG2 3.89Å; F658-V662 HydrophobicContact CE2-CG2 4.12Å; F658-V662 HydrophobicContact CZ-CG2 3.77Å; F658-V662 WeakPolarHBondContact O-CG2 3.47Å; F658-V662 PolarHBondContact O-N 2.94Å; F658-V662 VanDerWaalsContact O-N 3.1Å
659I83.5Confident78.3Confident4 Ų445.1 Ų45.12%0.02125%0.245CC..Hα-helixtrans-59.3-43.7175.5-66.8167.3000109.8T615 M639 L642 F643 T655 L656 R661 V662 A663 L693T615-I659 HydrophobicContact CG2-CG1 4.39Å; M639-I659 HydrophobicContact SD-CD1 4.45Å; M639-I659 HydrophobicContact SD-CG2 4.12Å; L642-I659 HydrophobicContact CD1-CD1 3.53Å; F643-I659 HydrophobicContact CE2-CD1 3.98Å; F643-I659 HydrophobicContact CZ-CD1 4.33Å; T655-I659 HydrophobicContact CG2-CD1 4.2Å; T655-I659 WeakPolarHBondContact O-CG1 3.39Å; T655-I659 PolarHBondContact O-N 3.22Å; L656-I659 PolarHBondContact O-N 2.74Å; I659-R661 VanDerWaalsContact C-N 3.35Å; I659-R661 PolarHBondContact O-N 2.98Å; I659-V662 PolarHBondContact O-N 3.13Å; I659-A663 HydrophobicContact CG2-CB 4.39Å; I659-A663 WeakPolarHBondContact O-CB 3.44Å; I659-A663 PolarHBondContact O-N 3.2Å; I659-L693 HydrophobicContact CG2-CD2 3.72Å
660M85.5Confident80.3Confident0 Ų034.7 Ų34.70%020%0.199CC..Iπ-helixtrans-60.9-41.8176.7-65.8-57.2150.400112.4L656 L657 F658 V662 L664 L693 L697 Y705L656-M660 HydrophobicContact CD1-CE 3.42Å; L656-M660 VanDerWaalsContact CD1-CE 3.42Å; L656-M660 HydrophobicContact CD1-CG 4.45Å; L656-M660 HydrophobicContact CG-CE 4.37Å; L656-M660 VanDerWaalsContact O-CG 3.29Å; L656-M660 WeakPolarHBondContact O-CG 3.47Å; L656-M660 PolarHBondContact O-N 3.27Å; L657-M660 PolarHBondContact O-N 3.41Å; F658-M660 VanDerWaalsContact C-N 3.28Å; F658-M660 PolarHBondContact O-N 3Å; M660-V662 VanDerWaalsContact C-N 3.28Å; M660-V662 PolarHBondContact O-N 3.43Å; M660-L664 HydrophobicContact CB-CB 4.5Å; M660-L664 VanDerWaalsContact O-CB 3.26Å; M660-L664 WeakPolarHBondContact O-CB 3.18Å; M660-L664 PolarHBondContact O-N 2.68Å; M660-L664 HydrophobicContact SD-CB 4.06Å; M660-L664 HydrophobicContact SD-CD1 4.45Å; M660-L664 HydrophobicContact SD-CD2 4.08Å; M660-L664 HydrophobicContact SD-CG 4.43Å; M660-L693 HydrophobicContact CE-CB 3.77Å; M660-L693 HydrophobicContact CE-CD2 3.47Å; M660-L693 VanDerWaalsContact CE-CD2 3.47Å; M660-L693 HydrophobicContact CE-CG 4.23Å; M660-L693 WeakPolarHBondContact CE-O 3.22Å; M660-L693 HydrophobicContact SD-CB 4.16Å; M660-L693 HydrophobicContact SD-CD2 4.09Å; M660-L697 HydrophobicContact CE-CD1 4.33Å; M660-L697 HydrophobicContact CE-CG 4.34Å; M660-L697 HydrophobicContact CG-CD2 4.45Å; M660-L697 HydrophobicContact CG-CG 4.48Å; M660-L697 HydrophobicContact SD-CD1 3.77Å; M660-L697 HydrophobicContact SD-CG 4.18Å; M660-Y705 HydrophobicContact CB-CD2 3.86Å; M660-Y705 HydrophobicContact CB-CE2 4.04Å; M660-Y705 WeakPolarHBondContact O-CE2 3.17Å
661R85Confident82.5Confident126 Ų12630.6 Ų30.648%0.47517%0.171SC..Iπ-helixtrans-58.5-39175.2-73.4169.7-170172.3-0.7112.8L657 F658 I659 E708L657-R661 VanDerWaalsContact O-CG 3.27Å; L657-R661 WeakPolarHBondContact O-CG 3.26Å; L657-R661 PolarHBondContact O-N 2.93Å; F658-R661 WeakPolarHBondContact O-CB 3.37Å; F658-R661 PolarHBondContact O-N 3.12Å; I659-R661 VanDerWaalsContact C-N 3.35Å; I659-R661 PolarHBondContact O-N 2.98Å; R661-E708 VanDerWaalsContact CD-OE2 3.29Å; R661-E708 WeakPolarHBondContact CD-OE2 3.33Å; R661-E708 WeakPolarHBondContact CG-OE2 3.18Å; R661-E708 IonicContact CZ-OE1 2.61Å; R661-E708 IonicContact CZ-OE2 3.57Å; R661-E708 IonicContact NE-OE1 3.71Å; R661-E708 PolarHBondContact NE-OE1 3.38Å; R661-E708 IonicContact NE-OE2 3.26Å; R661-E708 PolarHBondContact NE-OE2 2.99Å; R661-E708 IonicContact NH2-OE1 3.85Å; R661-E708 PolarHBondContact NH2-OE1 3.34Å; R661-E708 IonicContact NH2-OE2 3.51Å
662V84.5Confident84.1Confident21 Ų2130.4 Ų30.413%0.12717%0.165CC..Iπ-helixtrans-91.4-35.3-172.1-179.80000112.3T615 K619 F658 I659 M660 P666T615-V662 WeakPolarHBondContact O-CG1 3.28Å; K619-V662 HydrophobicContact CB-CG1 3.82Å; K619-V662 HydrophobicContact CD-CG1 3.88Å; K619-V662 HydrophobicContact CG-CG1 4.33Å; F658-V662 HydrophobicContact CD1-CG2 4.36Å; F658-V662 HydrophobicContact CE1-CG2 3.89Å; F658-V662 HydrophobicContact CE2-CG2 4.12Å; F658-V662 HydrophobicContact CZ-CG2 3.77Å; F658-V662 WeakPolarHBondContact O-CG2 3.47Å; F658-V662 PolarHBondContact O-N 2.94Å; F658-V662 VanDerWaalsContact O-N 3.1Å; I659-V662 PolarHBondContact O-N 3.13Å; M660-V662 VanDerWaalsContact C-N 3.28Å; M660-V662 PolarHBondContact O-N 3.43Å; V662-P666 WeakPolarHBondContact O-CG 3.43Å
663A88Confident85.2Confident4 Ų431.6 Ų31.63%0.03316%0.163CC..Iπ-helixtrans-111.9-34.3-168.200000114.9L635 I659 R665 P666 V667 L693L635-A663 HydrophobicContact CD1-CB 4.39Å; L635-A663 HydrophobicContact CD2-CB 4.43Å; I659-A663 HydrophobicContact CG2-CB 4.39Å; I659-A663 WeakPolarHBondContact O-CB 3.44Å; I659-A663 PolarHBondContact O-N 3.2Å; A663-R665 PolarHBondContact O-N 2.93Å; A663-P666 WeakPolarHBondContact O-CD 3.35Å; A663-V667 VanDerWaalsContact O-CB 3.3Å; A663-V667 WeakPolarHBondContact O-CB 3.27Å; A663-V667 WeakPolarHBondContact O-CG2 3.39Å; A663-V667 PolarHBondContact O-N 3.03Å; A663-L693 HydrophobicContact CB-CD1 4.45Å
664L90.7Very high86.2Confident4 Ų428.5 Ų28.52%0.02114%0.141CC..Iπ-helixtrans-60.8-54-167.5-179.360.7000113M660 V667 V668 L690 L693 L694 L697 Y705 F718M660-L664 HydrophobicContact CB-CB 4.5Å; M660-L664 VanDerWaalsContact O-CB 3.26Å; M660-L664 WeakPolarHBondContact O-CB 3.18Å; M660-L664 PolarHBondContact O-N 2.68Å; M660-L664 HydrophobicContact SD-CB 4.06Å; M660-L664 HydrophobicContact SD-CD1 4.45Å; M660-L664 HydrophobicContact SD-CD2 4.08Å; M660-L664 HydrophobicContact SD-CG 4.43Å; L664-V667 PolarHBondContact O-N 3.39Å; L664-V668 WeakPolarHBondContact O-CG2 3.32Å; L664-V668 PolarHBondContact O-N 3.15Å; L664-L690 HydrophobicContact CD1-CD1 3.76Å; L664-L693 HydrophobicContact CD1-CB 4.41Å; L664-L694 HydrophobicContact CD1-CD2 3.91Å; L664-L697 HydrophobicContact CD2-CD1 4.07Å; L664-Y705 HydrophobicContact CD2-CD1 4.33Å; L664-Y705 HydrophobicContact CD2-CE1 3.74Å; L664-F718 HydrophobicContact CD2-CZ 4.05Å; L664-F718 HydrophobicContact CG-CE2 4.49Å; L664-F718 HydrophobicContact CG-CZ 4.43Å
665R90.4Very high86.7Confident59 Ų5928.6 Ų28.622%0.22313%0.13CC..Hα-helixtrans-66.5-45.4179.8-172.9174.2-170.3-171.41.3112.2A663 V667 V668 Q669 F718 E721A663-R665 PolarHBondContact O-N 2.93Å; R665-V667 VanDerWaalsContact C-N 3.32Å; R665-V667 PolarHBondContact O-N 3.02Å; R665-V668 PolarHBondContact O-N 3.19Å; R665-Q669 HydrophobicContact CG-CG 4.41Å; R665-Q669 WeakPolarHBondContact O-CG 3.32Å; R665-Q669 PolarHBondContact O-N 3.13Å; R665-F718 HydrophobicContact CB-CD2 4.27Å; R665-F718 HydrophobicContact CB-CE2 4.4Å; R665-F718 HydrophobicContact CG-CD2 4.07Å; R665-E721 IonicContact CZ-OE1 2.7Å; R665-E721 IonicContact NE-OE1 3.34Å; R665-E721 IonicContact NE-OE2 3.36Å; R665-E721 PolarHBondContact NE-OE2 3.14Å; R665-E721 IonicContact NH2-OE1 2.68Å; R665-E721 PolarHBondContact NH2-OE1 3.17Å; R665-E721 IonicContact NH2-OE2 3.18Å
666P89.3Confident87Confident14 Ų1435.3 Ų35.39%0.09116%0.16CC..Hα-helixtrans-57-40.8173.5-30.839.1000114.1I622 V662 A663 Q669 V670I622-P666 HydrophobicContact CG2-CB 3.89Å; V662-P666 WeakPolarHBondContact O-CG 3.43Å; A663-P666 WeakPolarHBondContact O-CD 3.35Å; P666-Q669 PolarHBondContact O-N 3.12Å; P666-V670 WeakPolarHBondContact O-CG2 3.27Å; P666-V670 PolarHBondContact O-N 3.29Å
667V91.5Very high87.2Confident0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-62.9-46.2175.8166.30000111L635 A663 L664 R665 Q669 V670 I671 Y686 L689 L690 L693L635-V667 HydrophobicContact CD1-CG2 4.39Å; A663-V667 VanDerWaalsContact O-CB 3.3Å; A663-V667 WeakPolarHBondContact O-CB 3.27Å; A663-V667 WeakPolarHBondContact O-CG2 3.39Å; A663-V667 PolarHBondContact O-N 3.03Å; L664-V667 PolarHBondContact O-N 3.39Å; R665-V667 VanDerWaalsContact C-N 3.32Å; R665-V667 PolarHBondContact O-N 3.02Å; V667-Q669 VanDerWaalsContact C-N 3.32Å; V667-Q669 PolarHBondContact O-N 3.03Å; V667-V670 PolarHBondContact O-N 3.25Å; V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 WeakPolarHBondContact O-CD1 3.38Å; V667-I671 VanDerWaalsContact O-CG1 3.23Å; V667-I671 WeakPolarHBondContact O-CG1 3.24Å; V667-I671 PolarHBondContact O-N 3.46Å; V667-Y686 HydrophobicContact CG1-CD1 4.27Å; V667-Y686 HydrophobicContact CG2-CD1 4.43Å; V667-L689 HydrophobicContact CG2-CD2 3.88Å; V667-L689 HydrophobicContact CG2-CG 4.47Å; V667-L690 HydrophobicContact CG1-CB 3.88Å; V667-L690 HydrophobicContact CG1-CD1 4.28Å; V667-L693 HydrophobicContact CB-CD1 4.49Å; V667-L693 HydrophobicContact CG2-CD1 4.23Å
668V91Very high87.1Confident0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-57.3-46.7175.1168.70000110.9L664 R665 I671 V672 L690 E721 L722 L725L664-V668 WeakPolarHBondContact O-CG2 3.32Å; L664-V668 PolarHBondContact O-N 3.15Å; R665-V668 PolarHBondContact O-N 3.19Å; V668-I671 PolarHBondContact O-N 3.34Å; V668-V672 WeakPolarHBondContact O-CG2 3.35Å; V668-V672 PolarHBondContact O-N 3.49Å; V668-L690 HydrophobicContact CG2-CD1 3.76Å; V668-E721 HydrophobicContact CG1-CB 4.22Å; V668-L722 HydrophobicContact CG2-CD1 4.18Å; V668-L725 HydrophobicContact CB-CD2 4.47Å; V668-L725 HydrophobicContact CG1-CD2 4.04Å; V668-L725 HydrophobicContact CG2-CD2 4.31Å
669Q89.2Confident87Confident57 Ų5744.1 Ų44.127%0.26622%0.216SC..Hα-helixtrans-66-38.9-179.3-71.3177.7-16.500112.8R665 P666 V667 V672 R673R665-Q669 HydrophobicContact CG-CG 4.41Å; R665-Q669 WeakPolarHBondContact O-CG 3.32Å; R665-Q669 PolarHBondContact O-N 3.13Å; P666-Q669 PolarHBondContact O-N 3.12Å; V667-Q669 VanDerWaalsContact C-N 3.32Å; V667-Q669 PolarHBondContact O-N 3.03Å; Q669-V672 PolarHBondContact O-N 2.97Å; Q669-R673 VanDerWaalsContact O-CG 3.3Å; Q669-R673 WeakPolarHBondContact O-CG 3.17Å; Q669-R673 PolarHBondContact O-N 2.94Å; Q669-R673 VanDerWaalsContact O-N 3.08Å
670V90.5Very high86.7Confident2 Ų251 Ų511%0.01225%0.248CC..Hα-helixtrans-64.5-43.4173.9166.40000111I622 L628 P666 V667 V672 R673 L674 Y686I622-V670 HydrophobicContact CG2-CG2 3.57Å; L628-V670 HydrophobicContact CD1-CG1 4.46Å; P666-V670 WeakPolarHBondContact O-CG2 3.27Å; P666-V670 PolarHBondContact O-N 3.29Å; V667-V670 PolarHBondContact O-N 3.25Å; V670-V672 VanDerWaalsContact C-N 3.34Å; V670-V672 PolarHBondContact O-N 3.46Å; V670-R673 PolarHBondContact O-N 3.35Å; V670-L674 HydrophobicContact CG1-CD1 3.63Å; V670-L674 HydrophobicContact CG1-CG 3.97Å; V670-L674 WeakPolarHBondContact O-CB 3.49Å; V670-L674 VanDerWaalsContact O-CG 3.27Å; V670-L674 WeakPolarHBondContact O-CG 3.24Å; V670-L674 PolarHBondContact O-N 3.14Å; V670-Y686 HydrophobicContact CB-CD1 4.2Å; V670-Y686 HydrophobicContact CB-CE1 4.11Å; V670-Y686 HydrophobicContact CG1-CD1 3.74Å; V670-Y686 HydrophobicContact CG1-CD2 4.38Å; V670-Y686 HydrophobicContact CG1-CE1 3.66Å; V670-Y686 HydrophobicContact CG1-CE2 4.3Å; V670-Y686 HydrophobicContact CG1-CG 4.12Å
671I90.4Very high86.3Confident0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-60-46.1178-67163.6000110.9V667 V668 R673 L674 I675 L683 Y686 V687 L690 L725V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 WeakPolarHBondContact O-CD1 3.38Å; V667-I671 VanDerWaalsContact O-CG1 3.23Å; V667-I671 WeakPolarHBondContact O-CG1 3.24Å; V667-I671 PolarHBondContact O-N 3.46Å; V668-I671 PolarHBondContact O-N 3.34Å; I671-R673 VanDerWaalsContact C-N 3.33Å; I671-R673 PolarHBondContact O-N 3.08Å; I671-L674 PolarHBondContact O-N 3.4Å; I671-I675 HydrophobicContact CG2-CD1 3.86Å; I671-I675 HydrophobicContact CG2-CG1 4.39Å; I671-I675 VanDerWaalsContact O-CG1 3.29Å; I671-I675 WeakPolarHBondContact O-CG1 3.28Å; I671-I675 PolarHBondContact O-N 3.21Å; I671-L683 HydrophobicContact CG2-CD1 3.75Å; I671-Y686 WeakPolarHBondContact CD1-O 3.41Å; I671-V687 HydrophobicContact CD1-CG2 4.41Å; I671-V687 HydrophobicContact CG2-CG2 4.04Å; I671-L690 HydrophobicContact CD1-CB 3.61Å; I671-L690 HydrophobicContact CD1-CD2 3.62Å; I671-L690 HydrophobicContact CD1-CG 4.16Å; I671-L725 HydrophobicContact CB-CD1 4.32Å; I671-L725 HydrophobicContact CB-CD2 4.39Å; I671-L725 HydrophobicContact CD1-CD2 4.47Å; I671-L725 HydrophobicContact CG2-CD1 3.39Å; I671-L725 HydrophobicContact CG2-CD2 4.16Å; I671-L725 HydrophobicContact CG2-CG 4.43Å
672V87.4Confident86.3Confident39 Ų3952.5 Ų52.524%0.23627%0.269CS..Hα-helixtrans-57.6-46.4176.5172.50000110.9V668 Q669 V670 L674 I675 E676 L725V668-V672 WeakPolarHBondContact O-CG2 3.35Å; V668-V672 PolarHBondContact O-N 3.49Å; Q669-V672 PolarHBondContact O-N 2.97Å; V670-V672 VanDerWaalsContact C-N 3.34Å; V670-V672 PolarHBondContact O-N 3.46Å; V672-L674 PolarHBondContact O-N 3.42Å; V672-I675 PolarHBondContact O-N 3.21Å; V672-E676 WeakPolarHBondContact O-CG 3.44Å; V672-E676 PolarHBondContact O-N 3.09Å; V672-L725 HydrophobicContact CG2-CB 4.36Å; V672-L725 HydrophobicContact CG2-CD1 4.5Å
673R86.7Confident86.5Confident108 Ų10852.2 Ų52.241%0.40827%0.267SS..Hα-helixtrans-63.2-40.6176.6-68.4172.8-161.6153.35112.9Q669 V670 I671 I675 E676 A677Q669-R673 VanDerWaalsContact O-CG 3.3Å; Q669-R673 WeakPolarHBondContact O-CG 3.17Å; Q669-R673 PolarHBondContact O-N 2.94Å; Q669-R673 VanDerWaalsContact O-N 3.08Å; V670-R673 PolarHBondContact O-N 3.35Å; I671-R673 VanDerWaalsContact C-N 3.33Å; I671-R673 PolarHBondContact O-N 3.08Å; R673-I675 VanDerWaalsContact C-N 3.34Å; R673-E676 PolarHBondContact O-N 2.88Å; R673-A677 VanDerWaalsContact O-CB 3.31Å; R673-A677 WeakPolarHBondContact O-CB 3.33Å; R673-A677 PolarHBondContact O-N 2.94Å
674L88.2Confident86.4Confident7 Ų752.9 Ų52.94%0.03727%0.274CS..Hα-helixtrans-67.5-35.3178.7-70.6174.8000111.8L628 V670 I671 V672 A677 N678 E679 I682 L683 Y686L628-L674 HydrophobicContact CD1-CD2 4.49Å; V670-L674 HydrophobicContact CG1-CD1 3.63Å; V670-L674 HydrophobicContact CG1-CG 3.97Å; V670-L674 WeakPolarHBondContact O-CB 3.49Å; V670-L674 VanDerWaalsContact O-CG 3.27Å; V670-L674 WeakPolarHBondContact O-CG 3.24Å; V670-L674 PolarHBondContact O-N 3.14Å; I671-L674 PolarHBondContact O-N 3.4Å; V672-L674 PolarHBondContact O-N 3.42Å; L674-A677 PolarHBondContact O-N 2.76Å; L674-N678 PolarHBondContact O-N 3.3Å; L674-E679 HydrophobicContact CD2-CB 3.99Å; L674-E679 HydrophobicContact CD2-CG 4.49Å; L674-E679 WeakPolarHBondContact CD2-OE2 3.35Å; L674-E679 PolarHBondContact O-N 3.22Å; L674-E679 VanDerWaalsContact O-N 3.12Å; L674-I682 HydrophobicContact CD1-CB 4.39Å; L674-I682 HydrophobicContact CD1-CG2 3.83Å; L674-I682 HydrophobicContact CD2-CG2 4.45Å; L674-L683 HydrophobicContact CB-CB 4.36Å; L674-L683 HydrophobicContact CB-CD1 4.05Å; L674-Y686 HydrophobicContact CD1-CD2 4.13Å; L674-Y686 HydrophobicContact CD1-CG 4.35Å
675I84.9Confident86.3Confident52 Ų5255.5 Ų55.527%0.26729%0.286SS..Hα-helixtrans-63.4-47.6171.4-69.1168.9000109.8I671 V672 R673 A677 N678 L683 L725 D728I671-I675 HydrophobicContact CG2-CD1 3.86Å; I671-I675 HydrophobicContact CG2-CG1 4.39Å; I671-I675 VanDerWaalsContact O-CG1 3.29Å; I671-I675 WeakPolarHBondContact O-CG1 3.28Å; I671-I675 PolarHBondContact O-N 3.21Å; V672-I675 PolarHBondContact O-N 3.21Å; R673-I675 VanDerWaalsContact C-N 3.34Å; I675-A677 VanDerWaalsContact C-N 3.3Å; I675-A677 PolarHBondContact O-N 2.72Å; I675-N678 PolarHBondContact O-N 3.2Å; I675-L683 HydrophobicContact CD1-CD1 4.43Å; I675-L683 HydrophobicContact CG1-CD1 3.74Å; I675-L683 HydrophobicContact CG1-CD2 4.03Å; I675-L725 HydrophobicContact CD1-CD1 3.68Å; I675-D728 HydrophobicContact CD1-CB 4.45Å
676E84.4Confident86.4Confident154 Ų15452.7 Ų52.772%0.7228%0.275SS*.Hα-helixtrans-62.8-35.3177.2-71.2177171.100112.8V672 R673 N678V672-E676 WeakPolarHBondContact O-CG 3.44Å; V672-E676 PolarHBondContact O-N 3.09Å; R673-E676 PolarHBondContact O-N 2.88Å; E676-N678 VanDerWaalsContact C-N 3.34Å
677A84.8Confident86.6Confident61 Ų6152 Ų5250%0.50427%0.271SS..Hα-helixtrans-81.4-9.4177.400000114.1R673 L674 I675 E679R673-A677 VanDerWaalsContact O-CB 3.31Å; R673-A677 WeakPolarHBondContact O-CB 3.33Å; R673-A677 PolarHBondContact O-N 2.94Å; L674-A677 PolarHBondContact O-N 2.76Å; I675-A677 VanDerWaalsContact C-N 3.3Å; I675-A677 PolarHBondContact O-N 2.72Å; A677-E679 VanDerWaalsContact C-N 3.35Å; A677-E679 HydrophobicContact CB-CG 4.3Å; A677-E679 PolarHBondContact O-N 3.44Å
678N80.7Confident86.5Confident124 Ų12453.5 Ų53.566%0.66328%0.283SS*.THydrogen-bonded Turntrans59.835.7-177.2-162.349.6000114.3L674 I675 E676L674-N678 PolarHBondContact O-N 3.3Å; I675-N678 PolarHBondContact O-N 3.2Å; E676-N678 VanDerWaalsContact C-N 3.34Å
679E80Confident86.5Confident91 Ų9153.6 Ų53.643%0.42528%0.284SS..  trans-91.396.1179-74-165.8-17600112.8L674 A677 L683L674-E679 HydrophobicContact CD2-CB 3.99Å; L674-E679 HydrophobicContact CD2-CG 4.49Å; L674-E679 WeakPolarHBondContact CD2-OE2 3.35Å; L674-E679 PolarHBondContact O-N 3.22Å; L674-E679 VanDerWaalsContact O-N 3.12Å; A677-E679 VanDerWaalsContact C-N 3.35Å; A677-E679 HydrophobicContact CB-CG 4.3Å; A677-E679 PolarHBondContact O-N 3.44Å; E679-L683 WeakPolarHBondContact O-CB 2.98Å; E679-L683 PolarHBondContact O-N 2.93Å
680Q76.8Confident86.7Confident148 Ų14850.9 Ų50.969%0.69227%0.271SS*.Hα-helixtrans-74.9-35.6-169.2-65.6-178.8-8.800115.6G684Q680-G684 PolarHBondContact O-N 3.43Å
681V77.9Confident86.7Confident120 Ų12051.1 Ų51.173%0.72727%0.272SS*.Hα-helixtrans-69.7-48.6-171.6-178.60000111.7
682I84.4Confident86.7Confident37 Ų3753.2 Ų53.219%0.1929%0.287CS..Hα-helixtrans-73.6-34.9180-59.6175.2000110.3L628 L674 G684 Q685 Y686L628-I682 HydrophobicContact CB-CG2 4.38Å; L674-I682 HydrophobicContact CD1-CB 4.39Å; L674-I682 HydrophobicContact CD1-CG2 3.83Å; L674-I682 HydrophobicContact CD2-CG2 4.45Å; I682-G684 VanDerWaalsContact C-N 3.32Å; I682-G684 PolarHBondContact O-N 3.17Å; I682-Q685 PolarHBondContact O-N 3.12Å; I682-Q685 VanDerWaalsContact O-N 3.13Å; I682-Y686 HydrophobicContact CG2-CD2 3.66Å; I682-Y686 HydrophobicContact CG2-CE2 3.71Å; I682-Y686 PolarHBondContact O-N 2.7Å; I682-Y686 VanDerWaalsContact O-N 3.12Å
683L88.4Confident86.8Confident16 Ų1651.4 Ų51.48%0.08428%0.276CS..Hα-helixtrans-55.2-45.1177.9176.964.8000112.2I671 L674 I675 E679 Q685 Y686 V687 V734I671-L683 HydrophobicContact CG2-CD1 3.75Å; L674-L683 HydrophobicContact CB-CB 4.36Å; L674-L683 HydrophobicContact CB-CD1 4.05Å; I675-L683 HydrophobicContact CD1-CD1 4.43Å; I675-L683 HydrophobicContact CG1-CD1 3.74Å; I675-L683 HydrophobicContact CG1-CD2 4.03Å; E679-L683 WeakPolarHBondContact O-CB 2.98Å; E679-L683 PolarHBondContact O-N 2.93Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 3.42Å; L683-Y686 PolarHBondContact O-N 3.13Å; L683-V687 HydrophobicContact CD1-CG2 3.97Å; L683-V687 HydrophobicContact CG-CG2 4.31Å; L683-V687 WeakPolarHBondContact O-CB 3.36Å; L683-V687 VanDerWaalsContact O-CG2 3.29Å; L683-V687 WeakPolarHBondContact O-CG2 3.44Å; L683-V687 PolarHBondContact O-N 2.97Å; L683-V734 HydrophobicContact CD2-CG1 4.17Å; L683-V734 HydrophobicContact CD2-CG2 3.99Å; L683-V734 HydrophobicContact CG-CG1 3.92Å; L683-V734 HydrophobicContact CG-CG2 4.25Å
684G87.1Confident87Confident18 Ų1846.4 Ų46.419%0.18626%0.257CS..Hα-helixtrans-58.1-40.9177.700000113.4Q680 I682 A688Q680-G684 PolarHBondContact O-N 3.43Å; I682-G684 VanDerWaalsContact C-N 3.32Å; I682-G684 PolarHBondContact O-N 3.17Å; G684-A688 WeakPolarHBondContact O-CB 3.39Å; G684-A688 PolarHBondContact O-N 3.49Å
685Q89Confident87Confident58 Ų5850.2 Ų50.227%0.27128%0.275SS..Hα-helixtrans-66.6-44.4178.2-61.7-179.17.200111.7A632 I682 L683 A688 L689A632-Q685 HydrophobicContact CB-CB 4.31Å; I682-Q685 PolarHBondContact O-N 3.12Å; I682-Q685 VanDerWaalsContact O-N 3.13Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 3.42Å; Q685-A688 PolarHBondContact O-N 3.42Å; Q685-L689 WeakPolarHBondContact O-CB 3.49Å; Q685-L689 PolarHBondContact O-N 3.02Å
686Y92.5Very high87.2Confident0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-69.2-35.8178.3-87.7-97.1000112.6I622 L628 A632 V667 V670 I671 L674 I682 L683 L689 L690I622-Y686 HydrophobicContact CD1-CE1 4.43Å; L628-Y686 HydrophobicContact CB-CE2 4.11Å; L628-Y686 VanDerWaalsContact O-CE2 3.3Å; L628-Y686 WeakPolarHBondContact O-CE2 3.33Å; L628-Y686 PolarHBondContact O-OH 2.81Å; A632-Y686 HydrophobicContact CB-CD2 4.04Å; A632-Y686 HydrophobicContact CB-CE2 3.68Å; V667-Y686 HydrophobicContact CG1-CD1 4.27Å; V667-Y686 HydrophobicContact CG2-CD1 4.43Å; V670-Y686 HydrophobicContact CB-CD1 4.2Å; V670-Y686 HydrophobicContact CB-CE1 4.11Å; V670-Y686 HydrophobicContact CG1-CD1 3.74Å; V670-Y686 HydrophobicContact CG1-CD2 4.38Å; V670-Y686 HydrophobicContact CG1-CE1 3.66Å; V670-Y686 HydrophobicContact CG1-CE2 4.3Å; V670-Y686 HydrophobicContact CG1-CG 4.12Å; I671-Y686 WeakPolarHBondContact CD1-O 3.41Å; L674-Y686 HydrophobicContact CD1-CD2 4.13Å; L674-Y686 HydrophobicContact CD1-CG 4.35Å; I682-Y686 HydrophobicContact CG2-CD2 3.66Å; I682-Y686 HydrophobicContact CG2-CE2 3.71Å; I682-Y686 PolarHBondContact O-N 2.7Å; I682-Y686 VanDerWaalsContact O-N 3.12Å; L683-Y686 PolarHBondContact O-N 3.13Å; Y686-L689 PolarHBondContact O-N 3.08Å; Y686-L690 WeakPolarHBondContact O-CB 3.09Å; Y686-L690 PolarHBondContact O-N 3.38Å
687V92Very high87.3Confident0 Ų043.3 Ų43.30%024%0.241CC..Hα-helixtrans-65-44.3174.1172.40000110.4I671 L683 L689 L690 L691 L729 V734 F735I671-V687 HydrophobicContact CD1-CG2 4.41Å; I671-V687 HydrophobicContact CG2-CG2 4.04Å; L683-V687 HydrophobicContact CD1-CG2 3.97Å; L683-V687 HydrophobicContact CG-CG2 4.31Å; L683-V687 WeakPolarHBondContact O-CB 3.36Å; L683-V687 VanDerWaalsContact O-CG2 3.29Å; L683-V687 WeakPolarHBondContact O-CG2 3.44Å; L683-V687 PolarHBondContact O-N 2.97Å; V687-L689 VanDerWaalsContact C-N 3.32Å; V687-L689 PolarHBondContact O-N 3Å; V687-L690 PolarHBondContact O-N 2.78Å; V687-L691 HydrophobicContact CG1-CD1 4.19Å; V687-L691 HydrophobicContact CG1-CG 4.43Å; V687-L691 VanDerWaalsContact O-CG 3.27Å; V687-L691 WeakPolarHBondContact O-CG 3.29Å; V687-L691 PolarHBondContact O-N 2.9Å; V687-L729 HydrophobicContact CG1-CD2 4.38Å; V687-L729 HydrophobicContact CG2-CD2 3.93Å; V687-V734 HydrophobicContact CB-CG1 4.46Å; V687-V734 HydrophobicContact CG2-CG1 4.23Å; V687-V734 HydrophobicContact CG2-CG2 4.23Å; V687-F735 HydrophobicContact CB-CZ 4.41Å; V687-F735 HydrophobicContact CG1-CE2 3.89Å; V687-F735 HydrophobicContact CG1-CZ 3.87Å
688A90.1Very high87.2Confident32 Ų3243.8 Ų43.826%0.26424%0.236SC..Hα-helixtrans-60.1-41.4174.200000112.2G684 Q685 L691 S692G684-A688 WeakPolarHBondContact O-CB 3.39Å; G684-A688 PolarHBondContact O-N 3.49Å; Q685-A688 PolarHBondContact O-N 3.42Å; A688-L691 PolarHBondContact O-N 3.3Å; A688-S692 WeakPolarHBondContact O-CB 3.48Å; A688-S692 PolarHBondContact O-N 3.07Å; A688-S692 PolarHBondContact O-OG 3.04Å
689L91.5Very high87.1Confident1 Ų139.8 Ų39.81%0.00522%0.22CC..Hα-helixtrans-63-44.8174.417662.5000112.2L635 M639 V667 Q685 Y686 V687 L691 S692 L693L635-L689 HydrophobicContact CB-CD1 3.77Å; L635-L689 HydrophobicContact CB-CD2 3.7Å; L635-L689 HydrophobicContact CB-CG 4.4Å; L635-L689 HydrophobicContact CD1-CD2 3.75Å; L635-L689 HydrophobicContact CG-CD2 4.38Å; M639-L689 HydrophobicContact CG-CD1 4.34Å; V667-L689 HydrophobicContact CG2-CD2 3.88Å; V667-L689 HydrophobicContact CG2-CG 4.47Å; Q685-L689 WeakPolarHBondContact O-CB 3.49Å; Q685-L689 PolarHBondContact O-N 3.02Å; Y686-L689 PolarHBondContact O-N 3.08Å; V687-L689 VanDerWaalsContact C-N 3.32Å; V687-L689 PolarHBondContact O-N 3Å; L689-L691 VanDerWaalsContact C-N 3.34Å; L689-L691 PolarHBondContact O-N 3.27Å; L689-S692 WeakPolarHBondContact O-CB 3.48Å; L689-S692 PolarHBondContact O-N 2.91Å; L689-L693 HydrophobicContact CD1-CG 4.48Å; L689-L693 HydrophobicContact CG-CD1 4.34Å; L689-L693 WeakPolarHBondContact O-CG 3.42Å; L689-L693 PolarHBondContact O-N 3.38Å
690L93.5Very high87.3Confident1 Ų139.6 Ų39.61%0.00523%0.227CC..Hα-helixtrans-59.7-45.9175.5175.766.3000111L664 V667 V668 I671 Y686 V687 S692 L693 L694 L725L664-L690 HydrophobicContact CD1-CD1 3.76Å; V667-L690 HydrophobicContact CG1-CB 3.88Å; V667-L690 HydrophobicContact CG1-CD1 4.28Å; V668-L690 HydrophobicContact CG2-CD1 3.76Å; I671-L690 HydrophobicContact CD1-CB 3.61Å; I671-L690 HydrophobicContact CD1-CD2 3.62Å; I671-L690 HydrophobicContact CD1-CG 4.16Å; Y686-L690 WeakPolarHBondContact O-CB 3.09Å; Y686-L690 PolarHBondContact O-N 3.38Å; V687-L690 PolarHBondContact O-N 2.78Å; L690-S692 VanDerWaalsContact C-N 3.31Å; L690-S692 PolarHBondContact O-N 3.01Å; L690-L693 PolarHBondContact O-N 2.91Å; L690-L694 HydrophobicContact CD1-CD1 3.88Å; L690-L694 HydrophobicContact CD1-CD2 4.49Å; L690-L694 HydrophobicContact CD1-CG 3.93Å; L690-L694 HydrophobicContact CD2-CD1 4.34Å; L690-L694 HydrophobicContact CG-CD1 3.83Å; L690-L694 HydrophobicContact CG-CG 4.21Å; L690-L694 WeakPolarHBondContact O-CB 3.38Å; L690-L694 VanDerWaalsContact O-CG 3.27Å; L690-L694 WeakPolarHBondContact O-CG 3.4Å; L690-L694 PolarHBondContact O-N 3.25Å; L690-L725 HydrophobicContact CD2-CD2 3.51Å
691L91.1Very high87.7Confident7 Ų732.7 Ų32.74%0.03720%0.195CC..Hα-helixtrans-60.9-42.9177.6-68.8177.4000111.1V687 A688 L689 L693 L694 E695 F735 Q746 I749V687-L691 HydrophobicContact CG1-CD1 4.19Å; V687-L691 HydrophobicContact CG1-CG 4.43Å; V687-L691 VanDerWaalsContact O-CG 3.27Å; V687-L691 WeakPolarHBondContact O-CG 3.29Å; V687-L691 PolarHBondContact O-N 2.9Å; A688-L691 PolarHBondContact O-N 3.3Å; L689-L691 VanDerWaalsContact C-N 3.34Å; L689-L691 PolarHBondContact O-N 3.27Å; L691-L693 VanDerWaalsContact C-N 3.34Å; L691-L693 PolarHBondContact O-N 2.73Å; L691-L694 CarbonylContact O-C 3.54Å; L691-L694 PolarHBondContact O-N 2.74Å; L691-E695 WeakPolarHBondContact O-CB 3.46Å; L691-E695 PolarHBondContact O-N 2.87Å; L691-F735 HydrophobicContact CD1-CE2 4.08Å; L691-F735 HydrophobicContact CD1-CZ 4.4Å; L691-Q746 HydrophobicContact CD1-CB 3.69Å; L691-Q746 HydrophobicContact CD1-CG 4.07Å; L691-Q746 HydrophobicContact CD2-CB 4.21Å; L691-Q746 HydrophobicContact CD2-CG 4.09Å; L691-I749 HydrophobicContact CB-CD1 4.06Å; L691-I749 HydrophobicContact CD2-CB 4.19Å; L691-I749 HydrophobicContact CD2-CD1 4.22Å; L691-I749 HydrophobicContact CD2-CG2 4.11Å
692S88.9Confident88.1Confident43 Ų4327.3 Ų27.330%0.30116%0.162SC..Hα-helixtrans-60.9-41.8175.4-55.50000112.1A688 L689 L690A688-S692 WeakPolarHBondContact O-CB 3.48Å; A688-S692 PolarHBondContact O-N 3.07Å; A688-S692 PolarHBondContact O-OG 3.04Å; L689-S692 WeakPolarHBondContact O-CB 3.48Å; L689-S692 PolarHBondContact O-N 2.91Å; L690-S692 VanDerWaalsContact C-N 3.31Å; L690-S692 PolarHBondContact O-N 3.01Å
693L89.7Confident88.2Confident2 Ų233.8 Ų33.81%0.0118%0.184CC..Hα-helixtrans-64.5-44.4174.9-72.2169.8000112M639 I659 M660 A663 L664 V667 L689 L690 L691M639-L693 HydrophobicContact CE-CD2 3.94Å; M639-L693 HydrophobicContact CG-CD2 4.32Å; M639-L693 HydrophobicContact SD-CD2 3.61Å; I659-L693 HydrophobicContact CG2-CD2 3.72Å; M660-L693 HydrophobicContact CE-CB 3.77Å; M660-L693 HydrophobicContact CE-CD2 3.47Å; M660-L693 VanDerWaalsContact CE-CD2 3.47Å; M660-L693 HydrophobicContact CE-CG 4.23Å; M660-L693 WeakPolarHBondContact CE-O 3.22Å; M660-L693 HydrophobicContact SD-CB 4.16Å; M660-L693 HydrophobicContact SD-CD2 4.09Å; A663-L693 HydrophobicContact CB-CD1 4.45Å; L664-L693 HydrophobicContact CD1-CB 4.41Å; V667-L693 HydrophobicContact CB-CD1 4.49Å; V667-L693 HydrophobicContact CG2-CD1 4.23Å; L689-L693 HydrophobicContact CD1-CG 4.48Å; L689-L693 HydrophobicContact CG-CD1 4.34Å; L689-L693 WeakPolarHBondContact O-CG 3.42Å; L689-L693 PolarHBondContact O-N 3.38Å; L690-L693 PolarHBondContact O-N 2.91Å; L691-L693 VanDerWaalsContact C-N 3.34Å; L691-L693 PolarHBondContact O-N 2.73Å
694L90.8Very high88.1Confident2 Ų235.4 Ų35.41%0.0120%0.197CC..Hα-helixtrans-73.9-26.9-179.1-68-178.7000113L664 L690 L691 L697 F726 I749 K752 I753L664-L694 HydrophobicContact CD1-CD2 3.91Å; L690-L694 HydrophobicContact CD1-CD1 3.88Å; L690-L694 HydrophobicContact CD1-CD2 4.49Å; L690-L694 HydrophobicContact CD1-CG 3.93Å; L690-L694 HydrophobicContact CD2-CD1 4.34Å; L690-L694 HydrophobicContact CG-CD1 3.83Å; L690-L694 HydrophobicContact CG-CG 4.21Å; L690-L694 WeakPolarHBondContact O-CB 3.38Å; L690-L694 VanDerWaalsContact O-CG 3.27Å; L690-L694 WeakPolarHBondContact O-CG 3.4Å; L690-L694 PolarHBondContact O-N 3.25Å; L691-L694 CarbonylContact O-C 3.54Å; L691-L694 PolarHBondContact O-N 2.74Å; L694-L697 HydrophobicContact CD2-CD1 3.68Å; L694-L697 PolarHBondContact O-N 3.18Å; L694-F726 HydrophobicContact CD1-CE1 3.97Å; L694-F726 HydrophobicContact CD1-CZ 3.93Å; L694-I749 HydrophobicContact CB-CG2 3.41Å; L694-I749 VanDerWaalsContact CB-CG2 3.41Å; L694-I749 HydrophobicContact CD1-CG2 4.34Å; L694-K752 WeakPolarHBondContact O-CE 3.43Å; L694-K752 PolarHBondContact O-NZ 3.25Å; L694-I753 HydrophobicContact CB-CD1 4.34Å; L694-I753 HydrophobicContact CB-CG1 4.07Å; L694-I753 HydrophobicContact CD1-CG1 4.29Å; L694-I753 HydrophobicContact CD2-CD1 4.13Å; L694-I753 HydrophobicContact CD2-CG1 4.06Å; L694-I753 HydrophobicContact CD2-CG2 4.5Å; L694-I753 HydrophobicContact CG-CG1 4.36Å
695E89.7Confident88.2Confident88 Ų8835 Ų3541%0.41119%0.19SC..Hα-helixtrans-63.9-45175.6-169.8179.4161.800110.9K645 L691 L697 I749 K752K645-E695 IonicContact NZ-OE1 2.66Å; K645-E695 PolarHBondContact NZ-OE1 3.5Å; L691-E695 WeakPolarHBondContact O-CB 3.46Å; L691-E695 PolarHBondContact O-N 2.87Å; E695-L697 PolarHBondContact O-N 3.47Å; E695-I749 HydrophobicContact CB-CD1 3.86Å; E695-I749 HydrophobicContact CB-CG1 4.35Å; E695-I749 HydrophobicContact CG-CD1 4.27Å; E695-K752 PolarHBondContact O-NZ 3.37Å
696E87.3Confident88.1Confident57 Ų5732.5 Ų32.527%0.26618%0.178SC..Hα-helixtrans-72.2-15.1180-65.5-59.2138.400113.5M639 F643 L656 D698M639-E696 HydrophobicContact CE-CG 3.99Å; F643-E696 HydrophobicContact CB-CG 4.32Å; F643-E696 HydrophobicContact CD1-CG 4.08Å; F643-E696 HydrophobicContact CD2-CG 4.5Å; F643-E696 HydrophobicContact CG-CG 4.04Å; L656-E696 HydrophobicContact CD1-CB 3.86Å; L656-E696 HydrophobicContact CD2-CB 4.34Å; L656-E696 WeakPolarHBondContact CD2-O 3.36Å; E696-D698 PolarHBondContact O-N 3.04Å
697L86.3Confident87.8Confident3 Ų335.9 Ų35.92%0.01620%0.202CC..  trans-71.1110.2177-90.3154.2000111.9M660 L664 L694 E695 T701 K752 I753M660-L697 HydrophobicContact CE-CD1 4.33Å; M660-L697 HydrophobicContact CE-CG 4.34Å; M660-L697 HydrophobicContact CG-CD2 4.45Å; M660-L697 HydrophobicContact CG-CG 4.48Å; M660-L697 HydrophobicContact SD-CD1 3.77Å; M660-L697 HydrophobicContact SD-CG 4.18Å; L664-L697 HydrophobicContact CD2-CD1 4.07Å; L694-L697 HydrophobicContact CD2-CD1 3.68Å; L694-L697 PolarHBondContact O-N 3.18Å; E695-L697 PolarHBondContact O-N 3.47Å; L697-T701 HydrophobicContact CD2-CG2 4.26Å; L697-K752 PolarHBondContact O-NZ 3.21Å; L697-I753 HydrophobicContact CB-CD1 4.16Å
698D84.3Confident87.6Confident72 Ų7239.1 Ų39.139%0.38522%0.217SC..  trans-91.4169.1167.478.4-21.6000111.9E696 C700 T701 Y702E696-D698 PolarHBondContact O-N 3.04Å; D698-C700 PolarHBondContact O-N 3.18Å; D698-T701 PolarHBondContact O-N 3.41Å; D698-T701 WeakPolarHBondContact OD1-CA 3.44Å; D698-T701 WeakPolarHBondContact OD1-CB 3.36Å; D698-T701 PolarHBondContact OD1-N 3.33Å; D698-T701 PolarHBondContact OD1-OG1 3.02Å; D698-Y702 VanDerWaalsContact O-CB 3.26Å; D698-Y702 WeakPolarHBondContact O-CB 3.32Å; D698-Y702 PolarHBondContact O-N 3.07Å
699A78.5Confident87.5Confident40 Ų4039.1 Ų39.133%0.33121%0.211SC..Hα-helixtrans-62.4-30.6-176.600000113.1R703 Y756A699-R703 VanDerWaalsContact O-CG 3.22Å; A699-R703 WeakPolarHBondContact O-CG 3.44Å; A699-R703 PolarHBondContact O-N 2.83Å; A699-Y756 HydrophobicContact CB-CD1 4.49Å; A699-Y756 HydrophobicContact CB-CE1 3.84Å; A699-Y756 PolarHBondContact N-OH 3.33Å
700C83.7Confident87.2Confident86 Ų8645.7 Ų45.758%0.58125%0.251SS*.Hα-helixtrans-74.1-51.2179.4-66.90000111.3D698 Y702 R703 S704D698-C700 PolarHBondContact O-N 3.18Å; C700-Y702 VanDerWaalsContact C-N 3.31Å; C700-Y702 PolarHBondContact O-N 3.37Å; C700-R703 WeakPolarHBondContact O-CB 3.21Å; C700-R703 PolarHBondContact O-N 3.41Å; C700-R703 VanDerWaalsContact O-N 3.15Å; C700-S704 PolarHBondContact O-N 2.8Å; C700-S704 PolarHBondContact O-OG 3.34Å
701T84.7Confident86.7Confident4 Ų448.1 Ų48.13%0.02527%0.266CS..Hα-helixtrans-63.9-39.2179.4-53.10000110.8L656 L657 L697 D698 R703 S704 Y705L656-T701 HydrophobicContact CD2-CG2 3.97Å; L656-T701 HydrophobicContact CG-CG2 4.17Å; L657-T701 HydrophobicContact CB-CG2 4.43Å; L657-T701 HydrophobicContact CD1-CG2 4.28Å; L697-T701 HydrophobicContact CD2-CG2 4.26Å; D698-T701 PolarHBondContact O-N 3.41Å; D698-T701 WeakPolarHBondContact OD1-CA 3.44Å; D698-T701 WeakPolarHBondContact OD1-CB 3.36Å; D698-T701 PolarHBondContact OD1-N 3.33Å; D698-T701 PolarHBondContact OD1-OG1 3.02Å; T701-R703 PolarHBondContact O-N 2.83Å; T701-S704 PolarHBondContact O-N 2.76Å; T701-Y705 WeakPolarHBondContact O-CB 3.39Å; T701-Y705 PolarHBondContact O-N 3.4Å
702Y87.4Confident86.2Confident7 Ų753.6 Ų53.63%0.02729%0.286CS..Hα-helixtrans-59.7-44.7173.1175.2-95.2000112.1D698 C700 S704 Y705 V706 Y756 A757 T760D698-Y702 VanDerWaalsContact O-CB 3.26Å; D698-Y702 WeakPolarHBondContact O-CB 3.32Å; D698-Y702 PolarHBondContact O-N 3.07Å; C700-Y702 VanDerWaalsContact C-N 3.31Å; C700-Y702 PolarHBondContact O-N 3.37Å; Y702-S704 VanDerWaalsContact C-N 3.35Å; Y702-S704 PolarHBondContact O-N 3.49Å; Y702-Y705 PolarHBondContact O-N 3.26Å; Y702-V706 HydrophobicContact CD1-CG2 4.23Å; Y702-V706 HydrophobicContact CD2-CG2 4.33Å; Y702-V706 HydrophobicContact CE1-CG2 3.76Å; Y702-V706 HydrophobicContact CE2-CG2 3.85Å; Y702-V706 HydrophobicContact CG-CG2 4.5Å; Y702-V706 WeakPolarHBondContact O-CB 3.29Å; Y702-V706 WeakPolarHBondContact O-CG2 3.49Å; Y702-V706 PolarHBondContact O-N 3.38Å; Y702-Y756 HydrophobicContact CD1-CD2 4.38Å; Y702-Y756 HydrophobicContact CD1-CG 4.22Å; Y702-Y756 HydrophobicContact CD2-CD2 4.4Å; Y702-Y756 HydrophobicContact CG-CD2 4.04Å; Y702-Y756 HydrophobicContact CG-CG 4.33Å; Y702-A757 WeakPolarHBondContact OH-CA 3.31Å; Y702-T760 WeakPolarHBondContact CE1-OG1 3.43Å; Y702-T760 PolarHBondContact OH-OG1 2.89Å; Y702-T760 VanDerWaalsContact OH-OG1 3.12Å
703R85.5Confident85.9Confident172 Ų17255.9 Ų55.965%0.64930%0.299SS*.Hα-helixtrans-62.2-41.9175.8-77.4173.1-175.4-130.12.9112A699 C700 T701 S707A699-R703 VanDerWaalsContact O-CG 3.22Å; A699-R703 WeakPolarHBondContact O-CG 3.44Å; A699-R703 PolarHBondContact O-N 2.83Å; C700-R703 WeakPolarHBondContact O-CB 3.21Å; C700-R703 PolarHBondContact O-N 3.41Å; C700-R703 VanDerWaalsContact O-N 3.15Å; T701-R703 PolarHBondContact O-N 2.83Å; R703-S707 WeakPolarHBondContact O-CB 3.49Å; R703-S707 PolarHBondContact O-N 2.96Å
704S86.9Confident85.7Confident50 Ų5058.6 Ų58.635%0.3531%0.313SS..Hα-helixtrans-61.7-47.6175.3-670000111.4C700 T701 Y702 V706 S707 E708C700-S704 PolarHBondContact O-N 2.8Å; C700-S704 PolarHBondContact O-OG 3.34Å; T701-S704 PolarHBondContact O-N 2.76Å; Y702-S704 VanDerWaalsContact C-N 3.35Å; Y702-S704 PolarHBondContact O-N 3.49Å; S704-V706 PolarHBondContact O-N 3.3Å; S704-S707 WeakPolarHBondContact O-CB 3.38Å; S704-S707 PolarHBondContact O-N 3.06Å; S704-S707 VanDerWaalsContact O-N 3.13Å; S704-S707 PolarHBondContact O-OG 3.45Å; S704-E708 PolarHBondContact O-N 2.93Å
705Y89.5Confident85.4Confident11 Ų1158.6 Ų58.64%0.04331%0.313CS..Hα-helixtrans-59.1-48.4176.9179.8-105.7000112.3M660 L664 T701 Y702 S707 E708 F709 F718M660-Y705 HydrophobicContact CB-CD2 3.86Å; M660-Y705 HydrophobicContact CB-CE2 4.04Å; M660-Y705 WeakPolarHBondContact O-CE2 3.17Å; L664-Y705 HydrophobicContact CD2-CD1 4.33Å; L664-Y705 HydrophobicContact CD2-CE1 3.74Å; T701-Y705 WeakPolarHBondContact O-CB 3.39Å; T701-Y705 PolarHBondContact O-N 3.4Å; Y702-Y705 PolarHBondContact O-N 3.26Å; Y705-S707 PolarHBondContact O-N 2.82Å; Y705-E708 PolarHBondContact O-N 3.21Å; Y705-F709 HydrophobicContact CD1-CE2 4.06Å; Y705-F709 AromaticContact CE1-CE2 3.6Å; Y705-F709 HydrophobicContact CE1-CE2 3.6Å; Y705-F709 HydrophobicContact CE1-CZ 4.02Å; Y705-F709 AromaticContact CZ-CE2 3.92Å; Y705-F718 AromaticContact CE1-CE1 3.87Å; Y705-F718 HydrophobicContact CE1-CE1 3.87Å; Y705-F718 AromaticContact CE1-CZ 3.83Å; Y705-F718 HydrophobicContact CE1-CZ 3.83Å
706V87Confident84.9Confident5 Ų556.2 Ų56.23%0.0330%0.303CS..Hα-helixtrans-62.2-31176.5167.10000112.4Y702 S704 E708 L715 T760 R764Y702-V706 HydrophobicContact CD1-CG2 4.23Å; Y702-V706 HydrophobicContact CD2-CG2 4.33Å; Y702-V706 HydrophobicContact CE1-CG2 3.76Å; Y702-V706 HydrophobicContact CE2-CG2 3.85Å; Y702-V706 HydrophobicContact CG-CG2 4.5Å; Y702-V706 WeakPolarHBondContact O-CB 3.29Å; Y702-V706 WeakPolarHBondContact O-CG2 3.49Å; Y702-V706 PolarHBondContact O-N 3.38Å; S704-V706 PolarHBondContact O-N 3.3Å; V706-E708 PolarHBondContact O-N 2.96Å; V706-L715 HydrophobicContact CG1-CD1 3.99Å; V706-L715 HydrophobicContact CG1-CD2 3.89Å; V706-L715 HydrophobicContact CG2-CD1 4.41Å; V706-T760 HydrophobicContact CG1-CG2 3.68Å; V706-R764 PolarHBondContact O-NH1 3.4Å
707S86.3Confident84.7Confident71 Ų7157.4 Ų57.450%0.49731%0.31SS..Hα-helixtrans-70-18.2179.8770000114R703 S704 Y705R703-S707 WeakPolarHBondContact O-CB 3.49Å; R703-S707 PolarHBondContact O-N 2.96Å; S704-S707 WeakPolarHBondContact O-CB 3.38Å; S704-S707 PolarHBondContact O-N 3.06Å; S704-S707 VanDerWaalsContact O-N 3.13Å; S704-S707 PolarHBondContact O-OG 3.45Å; Y705-S707 PolarHBondContact O-N 2.82Å
708E87.3Confident84.8Confident67 Ų6757.4 Ų57.431%0.31331%0.311SS..THydrogen-bonded Turntrans-87.3-14.4-176.9-68.8170.2-16800114.3L657 R661 S704 Y705 V706 V710L657-E708 WeakPolarHBondContact CD2-OE1 3.48Å; R661-E708 VanDerWaalsContact CD-OE2 3.29Å; R661-E708 WeakPolarHBondContact CD-OE2 3.33Å; R661-E708 WeakPolarHBondContact CG-OE2 3.18Å; R661-E708 IonicContact CZ-OE1 2.61Å; R661-E708 IonicContact CZ-OE2 3.57Å; R661-E708 IonicContact NE-OE1 3.71Å; R661-E708 PolarHBondContact NE-OE1 3.38Å; R661-E708 IonicContact NE-OE2 3.26Å; R661-E708 PolarHBondContact NE-OE2 2.99Å; R661-E708 IonicContact NH2-OE1 3.85Å; R661-E708 PolarHBondContact NH2-OE1 3.34Å; R661-E708 IonicContact NH2-OE2 3.51Å; S704-E708 PolarHBondContact O-N 2.93Å; Y705-E708 PolarHBondContact O-N 3.21Å; V706-E708 PolarHBondContact O-N 2.96Å; E708-V710 PolarHBondContact O-N 2.66Å; E708-V710 VanDerWaalsContact O-N 3.08Å
709F88Confident84.6Confident33 Ų3354.3 Ų54.315%0.14529%0.294CS..  trans-61.4115.7172.2-77.6-99.6000109.4Y705 D714 L715 F718Y705-F709 HydrophobicContact CD1-CE2 4.06Å; Y705-F709 AromaticContact CE1-CE2 3.6Å; Y705-F709 HydrophobicContact CE1-CE2 3.6Å; Y705-F709 HydrophobicContact CE1-CZ 4.02Å; Y705-F709 AromaticContact CZ-CE2 3.92Å; F709-D714 HydrophobicContact CD1-CB 3.94Å; F709-L715 HydrophobicContact CB-CB 3.93Å; F709-L715 HydrophobicContact CB-CD1 4.46Å; F709-L715 HydrophobicContact CD1-CB 4.14Å; F709-L715 HydrophobicContact CD1-CD1 4.45Å; F709-L715 HydrophobicContact CD2-CD1 3.98Å; F709-L715 HydrophobicContact CE2-CD1 4.33Å; F709-L715 HydrophobicContact CG-CB 4.07Å; F709-L715 HydrophobicContact CG-CD1 4.04Å; F709-F718 HydrophobicContact CE1-CB 3.67Å; F709-F718 HydrophobicContact CE1-CD1 4.36Å; F709-F718 HydrophobicContact CE1-CG 4.04Å; F709-F718 HydrophobicContact CE2-CD1 4.22Å; F709-F718 HydrophobicContact CZ-CB 3.83Å; F709-F718 AromaticContact CZ-CD1 3.69Å; F709-F718 HydrophobicContact CZ-CD1 3.69Å; F709-F718 HydrophobicContact CZ-CD2 4.27Å; F709-F718 HydrophobicContact CZ-CE1 4.35Å; F709-F718 AromaticContact CZ-CG 3.64Å; F709-F718 HydrophobicContact CZ-CG 3.64Å
710V84.3Confident84.5Confident138 Ų13854.8 Ų54.884%0.83629%0.292SS*.SBendtrans-66.8-42.4-174.1-179.50000110.9E708E708-V710 PolarHBondContact O-N 2.66Å; E708-V710 VanDerWaalsContact O-N 3.08Å
711T84.6Confident84.6Confident53 Ų5352.9 Ų52.933%0.32528%0.275SS..SBendtrans-112147.9-178.978.50000111.7T713 D714 L715T711-T713 PolarHBondContact O-N 3.47Å; T711-T713 PolarHBondContact OG1-OG1 2.67Å; T711-D714 PolarHBondContact O-N 3.39Å; T711-D714 WeakPolarHBondContact OG1-CB 3.32Å; T711-D714 PolarHBondContact OG1-N 2.95Å; T711-D714 PolarHBondContact OG1-OD2 3.48Å; T711-L715 PolarHBondContact O-N 2.87Å
712R80.4Confident84.6Confident121 Ų12152.9 Ų52.946%0.45728%0.275SS..Hα-helixtrans-64.3-31.3174.7-178.9173.5174.5-174.9-7.9111.7M716 F765 E768R712-M716 WeakPolarHBondContact O-CG 3.47Å; R712-M716 PolarHBondContact O-N 3.24Å; R712-M716 VanDerWaalsContact O-N 3.09Å; R712-F765 HydrophobicContact CG-CD1 4.31Å; R712-F765 HydrophobicContact CG-CE1 3.42Å; R712-F765 VanDerWaalsContact CG-CE1 3.42Å; R712-F765 HydrophobicContact CG-CZ 4.05Å; R712-F765 VanDerWaalsContact NE-CD1 3.33Å; R712-F765 VanDerWaalsContact NE-CE1 3.34Å; R712-E768 IonicContact NH1-OE2 3.44Å; R712-E768 PolarHBondContact NH1-OE2 3.5Å
713T82.2Confident84.1Confident92 Ų9253.3 Ų53.356%0.56428%0.278SS*.Hα-helixtrans-67-47.7176.443.20000111.2T711 L715 M716 D717T711-T713 PolarHBondContact O-N 3.47Å; T711-T713 PolarHBondContact OG1-OG1 2.67Å; T713-L715 PolarHBondContact O-N 3.01Å; T713-M716 WeakPolarHBondContact O-CA 3.4Å; T713-M716 WeakPolarHBondContact O-CB 3.29Å; T713-M716 PolarHBondContact O-N 3.25Å; T713-D717 VanDerWaalsContact O-CG 3.32Å; T713-D717 PolarHBondContact O-N 3.02Å
714D85Confident83.8Confident58 Ų5848.2 Ų48.231%0.3126%0.262SS..Hα-helixtrans-60.5-37.4178.7-64.7-39.8000112.1F709 T711 F718F709-D714 HydrophobicContact CD1-CB 3.94Å; T711-D714 PolarHBondContact O-N 3.39Å; T711-D714 WeakPolarHBondContact OG1-CB 3.32Å; T711-D714 PolarHBondContact OG1-N 2.95Å; T711-D714 PolarHBondContact OG1-OD2 3.48Å; D714-F718 WeakPolarHBondContact O-CB 3.47Å; D714-F718 PolarHBondContact O-N 3.38Å
715L84.7Confident83.8Confident2 Ų245.8 Ų45.81%0.0125%0.245CC..Hα-helixtrans-68.4-38.2176179.560000112V706 F709 T711 T713 I719 T760 F765V706-L715 HydrophobicContact CG1-CD1 3.99Å; V706-L715 HydrophobicContact CG1-CD2 3.89Å; V706-L715 HydrophobicContact CG2-CD1 4.41Å; F709-L715 HydrophobicContact CB-CB 3.93Å; F709-L715 HydrophobicContact CB-CD1 4.46Å; F709-L715 HydrophobicContact CD1-CB 4.14Å; F709-L715 HydrophobicContact CD1-CD1 4.45Å; F709-L715 HydrophobicContact CD2-CD1 3.98Å; F709-L715 HydrophobicContact CE2-CD1 4.33Å; F709-L715 HydrophobicContact CG-CB 4.07Å; F709-L715 HydrophobicContact CG-CD1 4.04Å; T711-L715 PolarHBondContact O-N 2.87Å; T713-L715 PolarHBondContact O-N 3.01Å; L715-I719 HydrophobicContact CD1-CD1 3.9Å; L715-I719 HydrophobicContact CD1-CG1 4.15Å; L715-I719 HydrophobicContact CG-CD1 3.93Å; L715-I719 WeakPolarHBondContact O-CB 3.31Å; L715-I719 VanDerWaalsContact O-CG1 3.24Å; L715-I719 WeakPolarHBondContact O-CG1 3.41Å; L715-I719 PolarHBondContact O-N 3.12Å; L715-T760 HydrophobicContact CD2-CG2 4.29Å; L715-F765 HydrophobicContact CD2-CE2 4.16Å; L715-F765 HydrophobicContact CD2-CZ 4.1Å; L715-F765 HydrophobicContact CG-CE2 4.39Å; L715-F765 HydrophobicContact CG-CZ 4.18Å
716M78.8Confident83.4Confident39 Ų3945.5 Ų45.519%0.19224%0.244CC..Hα-helixtrans-63.6-45.8174.5-80.5-74.4-77.400111.5R712 T713 I719 T720 F765 V774R712-M716 WeakPolarHBondContact O-CG 3.47Å; R712-M716 PolarHBondContact O-N 3.24Å; R712-M716 VanDerWaalsContact O-N 3.09Å; T713-M716 WeakPolarHBondContact O-CA 3.4Å; T713-M716 WeakPolarHBondContact O-CB 3.29Å; T713-M716 PolarHBondContact O-N 3.25Å; M716-I719 PolarHBondContact O-N 3.33Å; M716-T720 VanDerWaalsContact O-CB 3.32Å; M716-T720 WeakPolarHBondContact O-CB 3.49Å; M716-T720 PolarHBondContact O-N 3.39Å; M716-T720 PolarHBondContact O-OG1 3.26Å; M716-F765 HydrophobicContact CB-CE1 4.48Å; M716-F765 HydrophobicContact CE-CD1 4.39Å; M716-F765 HydrophobicContact CG-CD1 3.81Å; M716-F765 HydrophobicContact CG-CE1 3.07Å; M716-F765 HydrophobicContact CG-CE2 4.49Å; M716-F765 HydrophobicContact CG-CZ 3.46Å; M716-F765 VanDerWaalsContact CG-CZ 3.46Å; M716-F765 HydrophobicContact SD-CD1 3.32Å; M716-F765 WeakPolarHBondContact SD-CD1 3.34Å; M716-F765 HydrophobicContact SD-CD2 4.25Å; M716-F765 HydrophobicContact SD-CE1 3.18Å; M716-F765 WeakPolarHBondContact SD-CE1 3.47Å; M716-F765 HydrophobicContact SD-CE2 4.07Å; M716-F765 HydrophobicContact SD-CG 3.88Å; M716-F765 HydrophobicContact SD-CZ 3.55Å; M716-F765 VanDerWaalsContact SD-CZ 3.55Å; M716-V774 HydrophobicContact CE-CG2 3.53Å
717D83.8Confident82.7Confident81 Ų8152.8 Ų52.843%0.43327%0.271SS..Hα-helixtrans-61.3-48.7179.9-64.4-18.1000109.8T713 I719 T720 E721T713-D717 VanDerWaalsContact O-CG 3.32Å; T713-D717 PolarHBondContact O-N 3.02Å; D717-I719 PolarHBondContact O-N 3.4Å; D717-T720 PolarHBondContact O-N 2.83Å; D717-T720 VanDerWaalsContact O-N 3.15Å; D717-E721 WeakPolarHBondContact O-CB 3.35Å; D717-E721 WeakPolarHBondContact O-CG 3.42Å; D717-E721 PolarHBondContact O-N 3.47Å
718F87.1Confident82.4Confident4 Ų451.4 Ų51.42%0.01826%0.258CS..Hα-helixtrans-58.8-45.3175.9171.2-107000113.3L664 R665 Y705 F709 D714 T720 E721 L722L664-F718 HydrophobicContact CD2-CZ 4.05Å; L664-F718 HydrophobicContact CG-CE2 4.49Å; L664-F718 HydrophobicContact CG-CZ 4.43Å; R665-F718 HydrophobicContact CB-CD2 4.27Å; R665-F718 HydrophobicContact CB-CE2 4.4Å; R665-F718 HydrophobicContact CG-CD2 4.07Å; Y705-F718 AromaticContact CE1-CE1 3.87Å; Y705-F718 HydrophobicContact CE1-CE1 3.87Å; Y705-F718 AromaticContact CE1-CZ 3.83Å; Y705-F718 HydrophobicContact CE1-CZ 3.83Å; F709-F718 HydrophobicContact CE1-CB 3.67Å; F709-F718 HydrophobicContact CE1-CD1 4.36Å; F709-F718 HydrophobicContact CE1-CG 4.04Å; F709-F718 HydrophobicContact CE2-CD1 4.22Å; F709-F718 HydrophobicContact CZ-CB 3.83Å; F709-F718 AromaticContact CZ-CD1 3.69Å; F709-F718 HydrophobicContact CZ-CD1 3.69Å; F709-F718 HydrophobicContact CZ-CD2 4.27Å; F709-F718 HydrophobicContact CZ-CE1 4.35Å; F709-F718 AromaticContact CZ-CG 3.64Å; F709-F718 HydrophobicContact CZ-CG 3.64Å; D714-F718 WeakPolarHBondContact O-CB 3.47Å; D714-F718 PolarHBondContact O-N 3.38Å; F718-T720 VanDerWaalsContact C-N 3.29Å; F718-T720 PolarHBondContact O-N 2.82Å; F718-E721 PolarHBondContact O-N 3.35Å; F718-L722 HydrophobicContact CE1-CD2 4.39Å; F718-L722 HydrophobicContact CZ-CD2 4.22Å; F718-L722 VanDerWaalsContact O-CB 3.32Å; F718-L722 WeakPolarHBondContact O-CB 3.38Å; F718-L722 PolarHBondContact O-N 3.47Å
719I80.7Confident82Confident7 Ų748.3 Ų48.34%0.03624%0.244CC..Hα-helixtrans-63.8-39.7177.8-70.9171.3000110.2L715 M716 D717 L722 L723 T760 V761 F765L715-I719 HydrophobicContact CD1-CD1 3.9Å; L715-I719 HydrophobicContact CD1-CG1 4.15Å; L715-I719 HydrophobicContact CG-CD1 3.93Å; L715-I719 WeakPolarHBondContact O-CB 3.31Å; L715-I719 VanDerWaalsContact O-CG1 3.24Å; L715-I719 WeakPolarHBondContact O-CG1 3.41Å; L715-I719 PolarHBondContact O-N 3.12Å; M716-I719 PolarHBondContact O-N 3.33Å; D717-I719 PolarHBondContact O-N 3.4Å; I719-L722 PolarHBondContact O-N 3.33Å; I719-L723 HydrophobicContact CG2-CD1 3.73Å; I719-L723 HydrophobicContact CG2-CG 4.23Å; I719-L723 WeakPolarHBondContact O-CB 3.29Å; I719-L723 WeakPolarHBondContact O-CG 3.49Å; I719-L723 PolarHBondContact O-N 2.85Å; I719-T760 HydrophobicContact CD1-CG2 3.87Å; I719-V761 HydrophobicContact CD1-CG2 4.46Å; I719-V761 HydrophobicContact CG2-CG2 4.18Å; I719-F765 HydrophobicContact CD1-CE2 4.16Å
720T77.1Confident81.2Confident49 Ų4950 Ų5030%0.30125%0.254SS..Hα-helixtrans-68-46.4179.6-54.30000111M716 D717 F718 L722 L723 M724 M777M716-T720 VanDerWaalsContact O-CB 3.32Å; M716-T720 WeakPolarHBondContact O-CB 3.49Å; M716-T720 PolarHBondContact O-N 3.39Å; M716-T720 PolarHBondContact O-OG1 3.26Å; D717-T720 PolarHBondContact O-N 2.83Å; D717-T720 VanDerWaalsContact O-N 3.15Å; F718-T720 VanDerWaalsContact C-N 3.29Å; F718-T720 PolarHBondContact O-N 2.82Å; T720-L722 VanDerWaalsContact C-N 3.32Å; T720-L722 PolarHBondContact O-N 3.33Å; T720-L723 PolarHBondContact O-N 3.19Å; T720-M724 HydrophobicContact CG2-CG 4.34Å; T720-M724 WeakPolarHBondContact O-CB 3.31Å; T720-M724 VanDerWaalsContact O-CG 3.28Å; T720-M724 WeakPolarHBondContact O-CG 3.47Å; T720-M724 PolarHBondContact O-N 3.43Å; T720-M777 HydrophobicContact CG2-CE 4.47Å; T720-M777 HydrophobicContact CG2-SD 4.38Å
721E86.3Confident80.6Confident47 Ų4746.3 Ų46.322%0.2223%0.234CC..Hα-helixtrans-52-50.2172.1-72.6165.5-151.600110.5R665 V668 D717 F718 M724 L725R665-E721 IonicContact CZ-OE1 2.7Å; R665-E721 IonicContact NE-OE1 3.34Å; R665-E721 IonicContact NE-OE2 3.36Å; R665-E721 PolarHBondContact NE-OE2 3.14Å; R665-E721 IonicContact NH2-OE1 2.68Å; R665-E721 PolarHBondContact NH2-OE1 3.17Å; R665-E721 IonicContact NH2-OE2 3.18Å; V668-E721 HydrophobicContact CG1-CB 4.22Å; D717-E721 WeakPolarHBondContact O-CB 3.35Å; D717-E721 WeakPolarHBondContact O-CG 3.42Å; D717-E721 PolarHBondContact O-N 3.47Å; F718-E721 PolarHBondContact O-N 3.35Å; E721-M724 PolarHBondContact O-N 2.82Å; E721-L725 VanDerWaalsContact O-CB 3.32Å; E721-L725 WeakPolarHBondContact O-CB 3.35Å; E721-L725 PolarHBondContact O-N 3.13Å
722L83.9Confident80.1Confident4 Ų450.1 Ų50.12%0.02125%0.248CC..Hα-helixtrans-65-41.9-178.6-173.564.6000112.7V668 F718 I719 T720 L725 F726 I753V668-L722 HydrophobicContact CG2-CD1 4.18Å; F718-L722 HydrophobicContact CE1-CD2 4.39Å; F718-L722 HydrophobicContact CZ-CD2 4.22Å; F718-L722 VanDerWaalsContact O-CB 3.32Å; F718-L722 WeakPolarHBondContact O-CB 3.38Å; F718-L722 PolarHBondContact O-N 3.47Å; I719-L722 PolarHBondContact O-N 3.33Å; T720-L722 VanDerWaalsContact C-N 3.32Å; T720-L722 PolarHBondContact O-N 3.33Å; L722-L725 PolarHBondContact O-N 3.06Å; L722-F726 HydrophobicContact CD1-CD1 4.46Å; L722-F726 HydrophobicContact CD1-CE1 3.71Å; L722-F726 HydrophobicContact CD1-CE2 4.19Å; L722-F726 HydrophobicContact CD1-CZ 3.55Å; L722-F726 HydrophobicContact CD2-CE2 4.27Å; L722-F726 HydrophobicContact CD2-CZ 4.23Å; L722-F726 HydrophobicContact CG-CD2 4.43Å; L722-F726 HydrophobicContact CG-CE1 4.24Å; L722-F726 HydrophobicContact CG-CE2 3.85Å; L722-F726 HydrophobicContact CG-CZ 3.74Å; L722-F726 VanDerWaalsContact O-CG 3.24Å; L722-F726 WeakPolarHBondContact O-CG 3.27Å; L722-F726 PolarHBondContact O-N 2.94Å; L722-I753 HydrophobicContact CD2-CG2 3.91Å
723L77.6Confident79.7Confident15 Ų1548.2 Ų48.28%0.07925%0.252CS..Hα-helixtrans-71.5-38.8179.8-70.6175.7000112.4I719 T720 F726 R727 L754 M777 M783I719-L723 HydrophobicContact CG2-CD1 3.73Å; I719-L723 HydrophobicContact CG2-CG 4.23Å; I719-L723 WeakPolarHBondContact O-CB 3.29Å; I719-L723 WeakPolarHBondContact O-CG 3.49Å; I719-L723 PolarHBondContact O-N 2.85Å; T720-L723 PolarHBondContact O-N 3.19Å; L723-F726 PolarHBondContact O-N 2.95Å; L723-R727 PolarHBondContact O-N 2.97Å; L723-L754 HydrophobicContact CD2-CD2 3.27Å; L723-M777 HydrophobicContact CB-CE 3.43Å; L723-M777 VanDerWaalsContact CB-CE 3.43Å; L723-M777 HydrophobicContact CD1-CE 3.33Å; L723-M777 HydrophobicContact CG-CE 4.01Å; L723-M783 HydrophobicContact CD2-CE 4.46Å
724M79.1Confident79.7Confident65 Ų6545.6 Ų45.632%0.3224%0.236SC..Hα-helixtrans-63.7-43.9173.4-73.5-62.2-60.600110.7T720 E721 F726 R727 D728 M777T720-M724 HydrophobicContact CG2-CG 4.34Å; T720-M724 WeakPolarHBondContact O-CB 3.31Å; T720-M724 VanDerWaalsContact O-CG 3.28Å; T720-M724 WeakPolarHBondContact O-CG 3.47Å; T720-M724 PolarHBondContact O-N 3.43Å; E721-M724 PolarHBondContact O-N 2.82Å; M724-F726 VanDerWaalsContact C-N 3.34Å; M724-F726 PolarHBondContact O-N 3.37Å; M724-R727 WeakPolarHBondContact O-CB 3.13Å; M724-R727 PolarHBondContact O-N 3.47Å; M724-R727 VanDerWaalsContact O-N 3.16Å; M724-D728 PolarHBondContact O-N 2.88Å; M724-M777 HydrophobicContact CG-SD 4.43Å; M724-M777 HydrophobicContact SD-SD 4.08Å
725L85.5Confident79.6Confident0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-57.9-45.8173.7175.458.8000111.9V668 I671 V672 I675 L690 E721 L722 R727 D728 L729V668-L725 HydrophobicContact CB-CD2 4.47Å; V668-L725 HydrophobicContact CG1-CD2 4.04Å; V668-L725 HydrophobicContact CG2-CD2 4.31Å; I671-L725 HydrophobicContact CB-CD1 4.32Å; I671-L725 HydrophobicContact CB-CD2 4.39Å; I671-L725 HydrophobicContact CD1-CD2 4.47Å; I671-L725 HydrophobicContact CG2-CD1 3.39Å; I671-L725 HydrophobicContact CG2-CD2 4.16Å; I671-L725 HydrophobicContact CG2-CG 4.43Å; V672-L725 HydrophobicContact CG2-CB 4.36Å; V672-L725 HydrophobicContact CG2-CD1 4.5Å; I675-L725 HydrophobicContact CD1-CD1 3.68Å; L690-L725 HydrophobicContact CD2-CD2 3.51Å; E721-L725 VanDerWaalsContact O-CB 3.32Å; E721-L725 WeakPolarHBondContact O-CB 3.35Å; E721-L725 PolarHBondContact O-N 3.13Å; L722-L725 PolarHBondContact O-N 3.06Å; L725-R727 VanDerWaalsContact C-N 3.33Å; L725-R727 PolarHBondContact O-N 3.44Å; L725-D728 PolarHBondContact O-N 3.43Å; L725-L729 HydrophobicContact CD1-CD1 3.97Å; L725-L729 HydrophobicContact CD1-CD2 4.34Å; L725-L729 HydrophobicContact CD1-CG 3.84Å; L725-L729 HydrophobicContact CG-CD1 3.97Å; L725-L729 HydrophobicContact CG-CG 4.28Å; L725-L729 WeakPolarHBondContact O-CB 3.33Å; L725-L729 WeakPolarHBondContact O-CG 3.19Å; L725-L729 PolarHBondContact O-N 3.3Å
726F81.9Confident79.3Confident4 Ų446.3 Ų46.32%0.01824%0.242CC..Hα-helixtrans-62.3-39.6176.9-68.1-15.2000112.6L694 L722 L723 M724 D728 L730 I750 I753 L754L694-F726 HydrophobicContact CD1-CE1 3.97Å; L694-F726 HydrophobicContact CD1-CZ 3.93Å; L722-F726 HydrophobicContact CD1-CD1 4.46Å; L722-F726 HydrophobicContact CD1-CE1 3.71Å; L722-F726 HydrophobicContact CD1-CE2 4.19Å; L722-F726 HydrophobicContact CD1-CZ 3.55Å; L722-F726 HydrophobicContact CD2-CE2 4.27Å; L722-F726 HydrophobicContact CD2-CZ 4.23Å; L722-F726 HydrophobicContact CG-CD2 4.43Å; L722-F726 HydrophobicContact CG-CE1 4.24Å; L722-F726 HydrophobicContact CG-CE2 3.85Å; L722-F726 HydrophobicContact CG-CZ 3.74Å; L722-F726 VanDerWaalsContact O-CG 3.24Å; L722-F726 WeakPolarHBondContact O-CG 3.27Å; L722-F726 PolarHBondContact O-N 2.94Å; L723-F726 PolarHBondContact O-N 2.95Å; M724-F726 VanDerWaalsContact C-N 3.34Å; M724-F726 PolarHBondContact O-N 3.37Å; F726-D728 VanDerWaalsContact C-N 3.32Å; F726-D728 PolarHBondContact O-N 3.28Å; F726-L730 VanDerWaalsContact O-CB 3.26Å; F726-L730 WeakPolarHBondContact O-CB 3.39Å; F726-L730 WeakPolarHBondContact O-CD1 3.39Å; F726-L730 WeakPolarHBondContact O-CG 3.3Å; F726-L730 PolarHBondContact O-N 3.36Å; F726-I750 HydrophobicContact CB-CG2 4.04Å; F726-I750 HydrophobicContact CD1-CD1 4.07Å; F726-I750 HydrophobicContact CD1-CG1 3.73Å; F726-I750 HydrophobicContact CD1-CG2 4.23Å; F726-I750 HydrophobicContact CD2-CG2 3.81Å; F726-I750 HydrophobicContact CE1-CG1 3.83Å; F726-I750 HydrophobicContact CE2-CG2 4.25Å; F726-I750 HydrophobicContact CG-CD1 4.48Å; F726-I750 HydrophobicContact CG-CG1 4.18Å; F726-I750 HydrophobicContact CG-CG2 3.78Å; F726-I750 HydrophobicContact CZ-CG1 4.33Å; F726-I753 HydrophobicContact CE2-CB 4.14Å; F726-I753 HydrophobicContact CE2-CG2 3.9Å; F726-I753 HydrophobicContact CZ-CB 4.09Å; F726-I753 HydrophobicContact CZ-CG2 3.87Å; F726-L754 HydrophobicContact CD2-CD2 3.86Å; F726-L754 HydrophobicContact CD2-CG 4.02Å; F726-L754 HydrophobicContact CE2-CD2 4.36Å; F726-L754 HydrophobicContact CE2-CG 4.31Å
727R72.4Confident78.9Confident158 Ų15850.4 Ų50.460%0.59627%0.268SS*.Hα-helixtrans-59.1-45.3173.1173.2-165.9157.4-164.1-9111L723 M724 L725 L730 S731L723-R727 PolarHBondContact O-N 2.97Å; M724-R727 WeakPolarHBondContact O-CB 3.13Å; M724-R727 PolarHBondContact O-N 3.47Å; M724-R727 VanDerWaalsContact O-N 3.16Å; L725-R727 VanDerWaalsContact C-N 3.33Å; L725-R727 PolarHBondContact O-N 3.44Å; R727-L730 PolarHBondContact O-N 2.98Å; R727-S731 WeakPolarHBondContact O-CB 3.43Å; R727-S731 PolarHBondContact O-N 2.88Å; R727-S731 PolarHBondContact O-OG 3.33Å
728D78.9Confident78.4Confident42 Ų4252.1 Ų52.123%0.22528%0.278CS..Hα-helixtrans-68.9-43.7-177.1-66.3-22.8000111.3I675 M724 L725 F726 L730 S731 H732I675-D728 HydrophobicContact CD1-CB 4.45Å; M724-D728 PolarHBondContact O-N 2.88Å; L725-D728 PolarHBondContact O-N 3.43Å; F726-D728 VanDerWaalsContact C-N 3.32Å; F726-D728 PolarHBondContact O-N 3.28Å; D728-L730 VanDerWaalsContact C-N 3.31Å; D728-L730 PolarHBondContact O-N 2.9Å; D728-S731 WeakPolarHBondContact CA-OG 3.28Å; D728-S731 PolarHBondContact O-N 2.96Å; D728-S731 PolarHBondContact O-OG 3.38Å; D728-S731 VanDerWaalsContact O-OG 3.08Å; D728-H732 PolarHBondContact O-N 3.28Å
729L80.3Confident78Confident3 Ų358.5 Ų58.52%0.01630%0.302CS..Hα-helixtrans-63.8-32.2174.8-68178.4000113.6V687 L725 V734 Q746 I750V687-L729 HydrophobicContact CG1-CD2 4.38Å; V687-L729 HydrophobicContact CG2-CD2 3.93Å; L725-L729 HydrophobicContact CD1-CD1 3.97Å; L725-L729 HydrophobicContact CD1-CD2 4.34Å; L725-L729 HydrophobicContact CD1-CG 3.84Å; L725-L729 HydrophobicContact CG-CD1 3.97Å; L725-L729 HydrophobicContact CG-CG 4.28Å; L725-L729 WeakPolarHBondContact O-CB 3.33Å; L725-L729 WeakPolarHBondContact O-CG 3.19Å; L725-L729 PolarHBondContact O-N 3.3Å; L729-V734 HydrophobicContact CD2-CG2 3.52Å; L729-Q746 PolarHBondContact O-NE2 2.87Å; L729-I750 HydrophobicContact CB-CD1 4.47Å
730L71.5Confident77.3Confident67 Ų6761.5 Ų61.535%0.35132%0.315SS..Hα-helixtrans-78.1-30.1176.1-72.6174000112.6F726 R727 D728 N747 I750 L791F726-L730 VanDerWaalsContact O-CB 3.26Å; F726-L730 WeakPolarHBondContact O-CB 3.39Å; F726-L730 WeakPolarHBondContact O-CD1 3.39Å; F726-L730 WeakPolarHBondContact O-CG 3.3Å; F726-L730 PolarHBondContact O-N 3.36Å; R727-L730 PolarHBondContact O-N 2.98Å; D728-L730 VanDerWaalsContact C-N 3.31Å; D728-L730 PolarHBondContact O-N 2.9Å; L730-N747 VanDerWaalsContact CD2-OD1 3.31Å; L730-N747 WeakPolarHBondContact CD2-OD1 3.31Å; L730-I750 HydrophobicContact CD1-CG2 4.47Å; L730-I750 HydrophobicContact CD2-CD1 4.42Å; L730-I750 HydrophobicContact CG-CD1 4.47Å; L730-L791 HydrophobicContact CD1-CD1 4.45Å; L730-L791 HydrophobicContact CD2-CD1 3.61Å; L730-L791 HydrophobicContact CD2-CG 4.41Å
731S71.1Confident77Confident62 Ų6265.3 Ų65.343%0.43433%0.329SS..Hα-helixtrans-86.6-29179.152.80000113.1R727 D728R727-S731 WeakPolarHBondContact O-CB 3.43Å; R727-S731 PolarHBondContact O-N 2.88Å; R727-S731 PolarHBondContact O-OG 3.33Å; D728-S731 WeakPolarHBondContact CA-OG 3.28Å; D728-S731 PolarHBondContact O-N 2.96Å; D728-S731 PolarHBondContact O-OG 3.38Å; D728-S731 VanDerWaalsContact O-OG 3.08Å
732H74.5Confident76.6Confident132 Ų13265.8 Ų65.861%0.61133%0.332SS*.SBendtrans-130.697.8-179.1-55.491.3000109.3D728 V734D728-H732 PolarHBondContact O-N 3.28Å; H732-V734 PolarHBondContact O-N 3.48Å
733P72.4Confident76.1Confident82 Ų8267.4 Ų67.453%0.53234%0.342SS..  trans-64.4127.1-179.425-32.2000110.8
734V81.9Confident75.7Confident37 Ų3770.3 Ų70.322%0.22435%0.354CS..SBendtrans-79.3-34.1178.5175.60000111.5L683 V687 L729 H732L683-V734 HydrophobicContact CD2-CG1 4.17Å; L683-V734 HydrophobicContact CD2-CG2 3.99Å; L683-V734 HydrophobicContact CG-CG1 3.92Å; L683-V734 HydrophobicContact CG-CG2 4.25Å; V687-V734 HydrophobicContact CB-CG1 4.46Å; V687-V734 HydrophobicContact CG2-CG1 4.23Å; V687-V734 HydrophobicContact CG2-CG2 4.23Å; L729-V734 HydrophobicContact CD2-CG2 3.52Å; H732-V734 PolarHBondContact O-N 3.48Å
735F81.3Confident75.6Confident17 Ų1770.7 Ų70.78%0.07536%0.357CS..SBendtrans-85.5147.1176.2-55.7-67.2000110.7V687 L691 W739 M742V687-F735 HydrophobicContact CB-CZ 4.41Å; V687-F735 HydrophobicContact CG1-CE2 3.89Å; V687-F735 HydrophobicContact CG1-CZ 3.87Å; L691-F735 HydrophobicContact CD1-CE2 4.08Å; L691-F735 HydrophobicContact CD1-CZ 4.4Å; F735-W739 HydrophobicContact CB-CB 4.21Å; F735-W739 HydrophobicContact CB-CE3 4.35Å; F735-W739 AromaticContact CD1-CE3 3.97Å; F735-W739 HydrophobicContact CD1-CE3 3.97Å; F735-W739 HydrophobicContact CD1-CZ3 4.23Å; F735-W739 HydrophobicContact CG-CE3 4.49Å; F735-M742 HydrophobicContact CB-CB 4.38Å; F735-M742 HydrophobicContact CD1-CB 4.46Å; F735-M742 HydrophobicContact CD2-CB 3.95Å; F735-M742 HydrophobicContact CE1-CE 4.08Å; F735-M742 HydrophobicContact CE2-CB 4.38Å; F735-M742 HydrophobicContact CE2-CE 4.09Å; F735-M742 HydrophobicContact CG-CB 4Å; F735-M742 HydrophobicContact CZ-CE 3.75Å
736P79.6Confident75.5Confident58 Ų5870.9 Ų70.938%0.37736%0.358SS..  trans-50.8147.6172.1-26.835.4000112.5D738 W739P736-D738 WeakPolarHBondContact CB-OD1 3.26Å; P736-D738 PolarHBondContact O-N 2.77Å; P736-W739 HydrophobicContact CB-CG 4.19Å; P736-W739 HydrophobicContact CG-CD2 4.25Å; P736-W739 HydrophobicContact CG-CG 4.26Å; P736-W739 WeakPolarHBondContact O-CA 3.38Å; P736-W739 WeakPolarHBondContact O-CB 3.48Å; P736-W739 PolarHBondContact O-N 3.11Å
737V69.4Low75.1Confident124 Ų12471.5 Ų71.575%0.75236%0.361SS*.THydrogen-bonded Turntrans-63.7-28.5-173.9-172.20000112.1W739V737-W739 VanDerWaalsContact C-N 3.27Å; V737-W739 PolarHBondContact O-N 3.07Å
738D74.3Confident75.2Confident118 Ų11867.1 Ų67.163%0.63135%0.354SS*.THydrogen-bonded Turntrans-72.1-14.7173.255.1-51.5000113.4P736 F740P736-D738 WeakPolarHBondContact CB-OD1 3.26Å; P736-D738 PolarHBondContact O-N 2.77Å; D738-F740 VanDerWaalsContact O-CD1 3.32Å; D738-F740 WeakPolarHBondContact O-CD1 3.48Å; D738-F740 PolarHBondContact O-N 2.93Å; D738-F740 VanDerWaalsContact O-N 3.14Å
739W77.8Confident75.3Confident137 Ų13765.5 Ų65.552%0.51935%0.346SS..  trans-87.245173.8-67.924.6000111.8F735 P736 V737 Q741 M742 T743F735-W739 HydrophobicContact CB-CB 4.21Å; F735-W739 HydrophobicContact CB-CE3 4.35Å; F735-W739 AromaticContact CD1-CE3 3.97Å; F735-W739 HydrophobicContact CD1-CE3 3.97Å; F735-W739 HydrophobicContact CD1-CZ3 4.23Å; F735-W739 HydrophobicContact CG-CE3 4.49Å; P736-W739 HydrophobicContact CB-CG 4.19Å; P736-W739 HydrophobicContact CG-CD2 4.25Å; P736-W739 HydrophobicContact CG-CG 4.26Å; P736-W739 WeakPolarHBondContact O-CA 3.38Å; P736-W739 WeakPolarHBondContact O-CB 3.48Å; P736-W739 PolarHBondContact O-N 3.11Å; V737-W739 VanDerWaalsContact C-N 3.27Å; V737-W739 PolarHBondContact O-N 3.07Å; W739-Q741 PolarHBondContact O-N 3.38Å; W739-Q741 VanDerWaalsContact O-N 3.07Å; W739-M742 HydrophobicContact CB-CB 4.34Å; W739-M742 HydrophobicContact CE3-CG 4.13Å; W739-M742 WeakPolarHBondContact O-CB 3.44Å; W739-M742 PolarHBondContact O-N 3.14Å; W739-T743 PolarHBondContact O-N 3.38Å; W739-T743 PolarHBondContact O-OG1 3.18Å
740F67.7Low75.2Confident70 Ų7065.5 Ų65.531%0.30735%0.346SS..Hα-helixtrans-55.4-31.6-173.462.1-90.7000113.8D738 M742 T743 F744 F807D738-F740 VanDerWaalsContact O-CD1 3.32Å; D738-F740 WeakPolarHBondContact O-CD1 3.48Å; D738-F740 PolarHBondContact O-N 2.93Å; D738-F740 VanDerWaalsContact O-N 3.14Å; F740-M742 VanDerWaalsContact C-N 3.35Å; F740-T743 WeakPolarHBondContact O-CB 3.39Å; F740-T743 PolarHBondContact O-N 3.3Å; F740-F744 WeakPolarHBondContact O-CB 3.23Å; F740-F744 PolarHBondContact O-N 3.5Å; F740-F807 AromaticContact CD2-CE2 3.78Å; F740-F807 HydrophobicContact CD2-CE2 3.78Å; F740-F807 AromaticContact CD2-CZ 3.63Å; F740-F807 HydrophobicContact CD2-CZ 3.63Å; F740-F807 AromaticContact CE2-CE2 3.43Å; F740-F807 HydrophobicContact CE2-CE2 3.43Å; F740-F807 VanDerWaalsContact CE2-CE2 3.43Å; F740-F807 AromaticContact CE2-CZ 3.44Å; F740-F807 HydrophobicContact CE2-CZ 3.44Å; F740-F807 VanDerWaalsContact CE2-CZ 3.44Å; F740-F807 HydrophobicContact CZ-CE2 4.42Å
741Q70.5Confident75Confident130 Ų13066.8 Ų66.861%0.60735%0.352SS*.Hα-helixtrans-63-41.1175.8-65.2-175.8-10.700111.8W739 F744 I745W739-Q741 PolarHBondContact O-N 3.38Å; W739-Q741 VanDerWaalsContact O-N 3.07Å; Q741-F744 WeakPolarHBondContact O-CB 3.3Å; Q741-F744 PolarHBondContact O-N 2.84Å; Q741-I745 WeakPolarHBondContact O-CG1 3.49Å; Q741-I745 PolarHBondContact O-N 3.47Å
742M78.2Confident75.4Confident57 Ų5766.6 Ų66.628%0.28134%0.344SS..Hα-helixtrans-67.1-41.6175.2-73.2-58.6-60.100111F735 W739 F740 F744 I745 Q746F735-M742 HydrophobicContact CB-CB 4.38Å; F735-M742 HydrophobicContact CD1-CB 4.46Å; F735-M742 HydrophobicContact CD2-CB 3.95Å; F735-M742 HydrophobicContact CE1-CE 4.08Å; F735-M742 HydrophobicContact CE2-CB 4.38Å; F735-M742 HydrophobicContact CE2-CE 4.09Å; F735-M742 HydrophobicContact CG-CB 4Å; F735-M742 HydrophobicContact CZ-CE 3.75Å; W739-M742 HydrophobicContact CB-CB 4.34Å; W739-M742 HydrophobicContact CE3-CG 4.13Å; W739-M742 WeakPolarHBondContact O-CB 3.44Å; W739-M742 PolarHBondContact O-N 3.14Å; F740-M742 VanDerWaalsContact C-N 3.35Å; M742-F744 VanDerWaalsContact C-N 3.26Å; M742-F744 PolarHBondContact O-N 2.97Å; M742-I745 PolarHBondContact O-N 3.23Å; M742-Q746 VanDerWaalsContact O-CB 3.29Å; M742-Q746 WeakPolarHBondContact O-CB 3.38Å; M742-Q746 PolarHBondContact O-N 3.1Å
743T73.2Confident75.7Confident37 Ų3760.4 Ų60.423%0.22732%0.315CS..Hα-helixtrans-59.8-39.2173.4-44.20000111.4W739 F740 N747W739-T743 PolarHBondContact O-N 3.38Å; W739-T743 PolarHBondContact O-OG1 3.18Å; F740-T743 WeakPolarHBondContact O-CB 3.39Å; F740-T743 PolarHBondContact O-N 3.3Å; T743-N747 VanDerWaalsContact O-CB 3.26Å; T743-N747 WeakPolarHBondContact O-CB 3.46Å; T743-N747 PolarHBondContact O-N 2.97Å; T743-N747 PolarHBondContact O-ND2 2.88Å; T743-N747 PolarHBondContact O-OD1 3.21Å
744F69Low75.7Confident76 Ų7657.5 Ų57.533%0.33330%0.295SS..Hα-helixtrans-67-47.6178.1-172-95.7000112.4F740 Q741 M742 N747 S748 M795 L811F740-F744 WeakPolarHBondContact O-CB 3.23Å; F740-F744 PolarHBondContact O-N 3.5Å; Q741-F744 WeakPolarHBondContact O-CB 3.3Å; Q741-F744 PolarHBondContact O-N 2.84Å; M742-F744 VanDerWaalsContact C-N 3.26Å; M742-F744 PolarHBondContact O-N 2.97Å; F744-N747 PolarHBondContact O-N 3.21Å; F744-S748 WeakPolarHBondContact O-CB 3.42Å; F744-S748 PolarHBondContact O-N 3.21Å; F744-M795 HydrophobicContact CD2-SD 4.37Å; F744-L811 HydrophobicContact CE2-CD2 3.6Å; F744-L811 HydrophobicContact CZ-CD2 3.85Å
745I76.8Confident75.2Confident74 Ų7459.5 Ų59.538%0.37931%0.31SS..Hα-helixtrans-60-47.8176.5-69.5166.2000110Q741 M742 N747 S748 I749Q741-I745 WeakPolarHBondContact O-CG1 3.49Å; Q741-I745 PolarHBondContact O-N 3.47Å; M742-I745 PolarHBondContact O-N 3.23Å; I745-N747 VanDerWaalsContact C-N 3.33Å; I745-N747 PolarHBondContact O-N 3.48Å; I745-S748 PolarHBondContact O-N 2.96Å; I745-I749 HydrophobicContact CG2-CD1 3.55Å; I745-I749 HydrophobicContact CG2-CG1 4.41Å; I745-I749 WeakPolarHBondContact O-CB 3.3Å; I745-I749 VanDerWaalsContact O-CG1 3.28Å; I745-I749 WeakPolarHBondContact O-CG1 3.32Å; I745-I749 PolarHBondContact O-N 2.79Å
746Q83.3Confident75.1Confident4 Ų461 Ų612%0.01932%0.315CS..Hα-helixtrans-51-54.3174.5176.5-177.8-65.700110.8L691 L729 M742 S748 I749 I750L691-Q746 HydrophobicContact CD1-CB 3.69Å; L691-Q746 HydrophobicContact CD1-CG 4.07Å; L691-Q746 HydrophobicContact CD2-CB 4.21Å; L691-Q746 HydrophobicContact CD2-CG 4.09Å; L729-Q746 PolarHBondContact O-NE2 2.87Å; M742-Q746 VanDerWaalsContact O-CB 3.29Å; M742-Q746 WeakPolarHBondContact O-CB 3.38Å; M742-Q746 PolarHBondContact O-N 3.1Å; Q746-S748 PolarHBondContact O-N 3.37Å; Q746-I749 PolarHBondContact O-N 2.79Å; Q746-I750 HydrophobicContact CG-CD1 3.72Å; Q746-I750 HydrophobicContact CG-CG1 4.46Å; Q746-I750 WeakPolarHBondContact O-CB 3.02Å; Q746-I750 VanDerWaalsContact O-CG1 3.23Å; Q746-I750 WeakPolarHBondContact O-CG1 3.27Å; Q746-I750 PolarHBondContact O-N 3.44Å
747N73.8Confident74.9Confident17 Ų1758.3 Ų58.39%0.09130%0.298CS..Hα-helixtrans-65.9-39.6-175.3-74.7-9.1000113L730 T743 F744 I745 I750 L751 L791L730-N747 VanDerWaalsContact CD2-OD1 3.31Å; L730-N747 WeakPolarHBondContact CD2-OD1 3.31Å; T743-N747 VanDerWaalsContact O-CB 3.26Å; T743-N747 WeakPolarHBondContact O-CB 3.46Å; T743-N747 PolarHBondContact O-N 2.97Å; T743-N747 PolarHBondContact O-ND2 2.88Å; T743-N747 PolarHBondContact O-OD1 3.21Å; F744-N747 PolarHBondContact O-N 3.21Å; I745-N747 VanDerWaalsContact C-N 3.33Å; I745-N747 PolarHBondContact O-N 3.48Å; N747-I750 PolarHBondContact O-N 2.8Å; N747-L751 WeakPolarHBondContact O-CB 3.46Å; N747-L751 PolarHBondContact O-N 2.61Å; N747-L791 HydrophobicContact CB-CD1 4.44Å; N747-L791 HydrophobicContact CB-CD2 3.86Å; N747-L791 HydrophobicContact CB-CG 4.34Å
748S72.8Confident74.7Confident65 Ų6554.2 Ų54.246%0.45528%0.278SS..Hα-helixtrans-62.7-45.9176-178.10000111.6F744 I745 Q746 L751 K752F744-S748 WeakPolarHBondContact O-CB 3.42Å; F744-S748 PolarHBondContact O-N 3.21Å; I745-S748 PolarHBondContact O-N 2.96Å; Q746-S748 PolarHBondContact O-N 3.37Å; S748-L751 PolarHBondContact O-N 3.42Å; S748-K752 PolarHBondContact O-N 3.35Å
749I81.2Confident74.3Confident9 Ų951.1 Ų51.15%0.04627%0.265CS..Hα-helixtrans-64.9-45.6177.5-67.5166.7000110.6L691 L694 E695 I745 Q746 L751 K752 I753L691-I749 HydrophobicContact CB-CD1 4.06Å; L691-I749 HydrophobicContact CD2-CB 4.19Å; L691-I749 HydrophobicContact CD2-CD1 4.22Å; L691-I749 HydrophobicContact CD2-CG2 4.11Å; L694-I749 HydrophobicContact CB-CG2 3.41Å; L694-I749 VanDerWaalsContact CB-CG2 3.41Å; L694-I749 HydrophobicContact CD1-CG2 4.34Å; E695-I749 HydrophobicContact CB-CD1 3.86Å; E695-I749 HydrophobicContact CB-CG1 4.35Å; E695-I749 HydrophobicContact CG-CD1 4.27Å; I745-I749 HydrophobicContact CG2-CD1 3.55Å; I745-I749 HydrophobicContact CG2-CG1 4.41Å; I745-I749 WeakPolarHBondContact O-CB 3.3Å; I745-I749 VanDerWaalsContact O-CG1 3.28Å; I745-I749 WeakPolarHBondContact O-CG1 3.32Å; I745-I749 PolarHBondContact O-N 2.79Å; Q746-I749 PolarHBondContact O-N 2.79Å; I749-L751 VanDerWaalsContact C-N 3.31Å; I749-L751 PolarHBondContact O-N 3.44Å; I749-K752 WeakPolarHBondContact O-CB 3.24Å; I749-K752 PolarHBondContact O-N 2.96Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 WeakPolarHBondContact O-CG1 3.15Å; I749-I753 PolarHBondContact O-N 2.99Å
750I79.1Confident74.2Confident2 Ų245.1 Ų45.11%0.0124%0.244CC..Hα-helixtrans-55.6-47.8175.7-72.8173.5000110.4F726 L729 L730 Q746 N747 K752 I753 L754F726-I750 HydrophobicContact CB-CG2 4.04Å; F726-I750 HydrophobicContact CD1-CD1 4.07Å; F726-I750 HydrophobicContact CD1-CG1 3.73Å; F726-I750 HydrophobicContact CD1-CG2 4.23Å; F726-I750 HydrophobicContact CD2-CG2 3.81Å; F726-I750 HydrophobicContact CE1-CG1 3.83Å; F726-I750 HydrophobicContact CE2-CG2 4.25Å; F726-I750 HydrophobicContact CG-CD1 4.48Å; F726-I750 HydrophobicContact CG-CG1 4.18Å; F726-I750 HydrophobicContact CG-CG2 3.78Å; F726-I750 HydrophobicContact CZ-CG1 4.33Å; L729-I750 HydrophobicContact CB-CD1 4.47Å; L730-I750 HydrophobicContact CD1-CG2 4.47Å; L730-I750 HydrophobicContact CD2-CD1 4.42Å; L730-I750 HydrophobicContact CG-CD1 4.47Å; Q746-I750 HydrophobicContact CG-CD1 3.72Å; Q746-I750 HydrophobicContact CG-CG1 4.46Å; Q746-I750 WeakPolarHBondContact O-CB 3.02Å; Q746-I750 VanDerWaalsContact O-CG1 3.23Å; Q746-I750 WeakPolarHBondContact O-CG1 3.27Å; Q746-I750 PolarHBondContact O-N 3.44Å; N747-I750 PolarHBondContact O-N 2.8Å; I750-K752 PolarHBondContact O-N 3.15Å; I750-I753 PolarHBondContact O-N 3.45Å; I750-L754 HydrophobicContact CG2-CD1 3.82Å; I750-L754 HydrophobicContact CG2-CG 4.19Å; I750-L754 WeakPolarHBondContact O-CB 3.38Å; I750-L754 VanDerWaalsContact O-CG 3.3Å; I750-L754 WeakPolarHBondContact O-CG 3.18Å; I750-L754 PolarHBondContact O-N 3.31Å
751L67.5Low74.2Confident94 Ų9442.2 Ų42.249%0.49223%0.231SC..Hα-helixtrans-61.2-46179.8-175.965.3000112.1N747 S748 I749 I753 L754 C755N747-L751 WeakPolarHBondContact O-CB 3.46Å; N747-L751 PolarHBondContact O-N 2.61Å; S748-L751 PolarHBondContact O-N 3.42Å; I749-L751 VanDerWaalsContact C-N 3.31Å; I749-L751 PolarHBondContact O-N 3.44Å; L751-I753 VanDerWaalsContact C-N 3.31Å; L751-I753 PolarHBondContact O-N 2.78Å; L751-L754 PolarHBondContact O-N 3.45Å; L751-C755 PolarHBondContact O-N 3.43Å; L751-C755 PolarHBondContact O-SG 2.95Å; L751-C755 VanDerWaalsContact O-SG 3.4Å
752K78.1Confident73.9Confident59 Ų5943 Ų4326%0.25723%0.233SC..Hα-helixtrans-54.1-48.8175.3-177.8-173.265154.90111L694 E695 L697 S748 I749 I750 C755 Y756L694-K752 WeakPolarHBondContact O-CE 3.43Å; L694-K752 PolarHBondContact O-NZ 3.25Å; E695-K752 PolarHBondContact O-NZ 3.37Å; L697-K752 PolarHBondContact O-NZ 3.21Å; S748-K752 PolarHBondContact O-N 3.35Å; I749-K752 WeakPolarHBondContact O-CB 3.24Å; I749-K752 PolarHBondContact O-N 2.96Å; I750-K752 PolarHBondContact O-N 3.15Å; K752-C755 WeakPolarHBondContact O-CB 3.37Å; K752-C755 PolarHBondContact O-N 3.19Å; K752-Y756 HydrophobicContact CD-CE2 4.38Å; K752-Y756 HydrophobicContact CG-CE2 4.05Å; K752-Y756 PolarHBondContact O-N 3.12Å
753I82.1Confident73.4Confident1 Ų144 Ų441%0.00525%0.251CS..Hα-helixtrans-71-35.1-178.2-60.2-59.6000111.9L694 L697 L722 F726 I749 I750 L751 C755 Y756 A757L694-I753 HydrophobicContact CB-CD1 4.34Å; L694-I753 HydrophobicContact CB-CG1 4.07Å; L694-I753 HydrophobicContact CD1-CG1 4.29Å; L694-I753 HydrophobicContact CD2-CD1 4.13Å; L694-I753 HydrophobicContact CD2-CG1 4.06Å; L694-I753 HydrophobicContact CD2-CG2 4.5Å; L694-I753 HydrophobicContact CG-CG1 4.36Å; L697-I753 HydrophobicContact CB-CD1 4.16Å; L722-I753 HydrophobicContact CD2-CG2 3.91Å; F726-I753 HydrophobicContact CE2-CB 4.14Å; F726-I753 HydrophobicContact CE2-CG2 3.9Å; F726-I753 HydrophobicContact CZ-CB 4.09Å; F726-I753 HydrophobicContact CZ-CG2 3.87Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 WeakPolarHBondContact O-CG1 3.15Å; I749-I753 PolarHBondContact O-N 2.99Å; I750-I753 PolarHBondContact O-N 3.45Å; L751-I753 VanDerWaalsContact C-N 3.31Å; L751-I753 PolarHBondContact O-N 2.78Å; I753-C755 VanDerWaalsContact C-N 3.3Å; I753-C755 PolarHBondContact O-N 3.39Å; I753-Y756 HydrophobicContact CD1-CD2 3.92Å; I753-Y756 HydrophobicContact CD1-CE2 4.23Å; I753-Y756 WeakPolarHBondContact O-CB 3.42Å; I753-Y756 PolarHBondContact O-N 3.39Å; I753-Y756 VanDerWaalsContact O-N 3.12Å; I753-A757 WeakPolarHBondContact O-CB 3.3Å; I753-A757 PolarHBondContact O-N 2.71Å
754L72.3Confident73.3Confident21 Ų2147.6 Ų47.611%0.1126%0.26CS..Hα-helixtrans-59.4-39.7172.6-77.6174.5000111.9L723 F726 I750 L751 Y756 A757 A758 M783L723-L754 HydrophobicContact CD2-CD2 3.27Å; F726-L754 HydrophobicContact CD2-CD2 3.86Å; F726-L754 HydrophobicContact CD2-CG 4.02Å; F726-L754 HydrophobicContact CE2-CD2 4.36Å; F726-L754 HydrophobicContact CE2-CG 4.31Å; I750-L754 HydrophobicContact CG2-CD1 3.82Å; I750-L754 HydrophobicContact CG2-CG 4.19Å; I750-L754 WeakPolarHBondContact O-CB 3.38Å; I750-L754 VanDerWaalsContact O-CG 3.3Å; I750-L754 WeakPolarHBondContact O-CG 3.18Å; I750-L754 PolarHBondContact O-N 3.31Å; L751-L754 PolarHBondContact O-N 3.45Å; L754-Y756 VanDerWaalsContact C-N 3.32Å; L754-Y756 PolarHBondContact O-N 2.91Å; L754-A757 PolarHBondContact O-N 2.88Å; L754-A758 VanDerWaalsContact O-CB 3.3Å; L754-A758 WeakPolarHBondContact O-CB 3.43Å; L754-A758 PolarHBondContact O-N 2.79Å; L754-M783 HydrophobicContact CD1-SD 4.39Å; L754-M783 HydrophobicContact CD2-SD 4.02Å
755C71.1Confident73.3Confident79 Ų7944.4 Ų44.453%0.53425%0.246SC..Hα-helixtrans-60.9-42.4173.9-67.60000111.7L751 K752 I753 S759L751-C755 PolarHBondContact O-N 3.43Å; L751-C755 PolarHBondContact O-SG 2.95Å; L751-C755 VanDerWaalsContact O-SG 3.4Å; K752-C755 WeakPolarHBondContact O-CB 3.37Å; K752-C755 PolarHBondContact O-N 3.19Å; I753-C755 VanDerWaalsContact C-N 3.3Å; I753-C755 PolarHBondContact O-N 3.39Å; C755-S759 PolarHBondContact O-N 3.15Å
756Y79.3Confident72.3Confident48 Ų4845.7 Ų45.719%0.18825%0.253CS..Hα-helixtrans-65.6-47.2176.2-61.7-16.5000111.7A699 Y702 K752 I753 L754 A758 S759 T760A699-Y756 HydrophobicContact CB-CD1 4.49Å; A699-Y756 HydrophobicContact CB-CE1 3.84Å; A699-Y756 PolarHBondContact N-OH 3.33Å; Y702-Y756 HydrophobicContact CD1-CD2 4.38Å; Y702-Y756 HydrophobicContact CD1-CG 4.22Å; Y702-Y756 HydrophobicContact CD2-CD2 4.4Å; Y702-Y756 HydrophobicContact CG-CD2 4.04Å; Y702-Y756 HydrophobicContact CG-CG 4.33Å; K752-Y756 HydrophobicContact CD-CE2 4.38Å; K752-Y756 HydrophobicContact CG-CE2 4.05Å; K752-Y756 PolarHBondContact O-N 3.12Å; I753-Y756 HydrophobicContact CD1-CD2 3.92Å; I753-Y756 HydrophobicContact CD1-CE2 4.23Å; I753-Y756 WeakPolarHBondContact O-CB 3.42Å; I753-Y756 PolarHBondContact O-N 3.39Å; I753-Y756 VanDerWaalsContact O-N 3.12Å; L754-Y756 VanDerWaalsContact C-N 3.32Å; L754-Y756 PolarHBondContact O-N 2.91Å; Y756-A758 PolarHBondContact O-N 3.24Å; Y756-S759 WeakPolarHBondContact O-CB 3.4Å; Y756-S759 PolarHBondContact O-N 2.84Å; Y756-S759 VanDerWaalsContact O-N 3.14Å; Y756-S759 PolarHBondContact O-OG 3.33Å; Y756-T760 PolarHBondContact O-N 3.35Å; Y756-T760 PolarHBondContact O-OG1 3.18Å
757A74.6Confident70.8Confident3 Ų354.1 Ų54.13%0.02529%0.292CS..Hα-helixtrans-59.1-44.2176.800000112Y702 I753 L754 S759 T760 V761Y702-A757 WeakPolarHBondContact OH-CA 3.31Å; I753-A757 WeakPolarHBondContact O-CB 3.3Å; I753-A757 PolarHBondContact O-N 2.71Å; L754-A757 PolarHBondContact O-N 2.88Å; A757-S759 VanDerWaalsContact C-N 3.28Å; A757-S759 PolarHBondContact O-N 3.44Å; A757-T760 WeakPolarHBondContact O-CB 3.47Å; A757-T760 PolarHBondContact O-N 2.77Å; A757-T760 VanDerWaalsContact O-N 3.13Å; A757-V761 WeakPolarHBondContact O-CB 3.31Å; A757-V761 VanDerWaalsContact O-CG2 3.28Å; A757-V761 WeakPolarHBondContact O-CG2 3.35Å; A757-V761 PolarHBondContact O-N 3.43Å
758A65.1Low69.5Low38 Ų3859.5 Ų59.531%0.31432%0.317SS..Hα-helixtrans-59.2-39.7176.300000112.1L754 Y756 V761 K762 F778L754-A758 VanDerWaalsContact O-CB 3.3Å; L754-A758 WeakPolarHBondContact O-CB 3.43Å; L754-A758 PolarHBondContact O-N 2.79Å; Y756-A758 PolarHBondContact O-N 3.24Å; A758-V761 PolarHBondContact O-N 3.18Å; A758-K762 WeakPolarHBondContact O-CB 3.37Å; A758-K762 PolarHBondContact O-N 3.45Å; A758-F778 HydrophobicContact CB-CZ 4.33Å
759S67.7Low68.2Low53 Ų5366.5 Ų66.537%0.37134%0.339SS..Hα-helixtrans-65.6-40.5175.880.20000112.4C755 Y756 A757 K762 A763C755-S759 PolarHBondContact O-N 3.15Å; Y756-S759 WeakPolarHBondContact O-CB 3.4Å; Y756-S759 PolarHBondContact O-N 2.84Å; Y756-S759 VanDerWaalsContact O-N 3.14Å; Y756-S759 PolarHBondContact O-OG 3.33Å; A757-S759 VanDerWaalsContact C-N 3.28Å; A757-S759 PolarHBondContact O-N 3.44Å; S759-K762 PolarHBondContact O-N 2.95Å; S759-A763 VanDerWaalsContact O-CB 3.32Å; S759-A763 WeakPolarHBondContact O-CB 3.39Å; S759-A763 PolarHBondContact O-N 2.98Å
760T74.6Confident66.4Low11 Ų1168.9 Ų68.97%0.06735%0.349CS..Hα-helixtrans-65.1-45.9174.9-61.90000111.7Y702 V706 L715 I719 Y756 A757 K762 A763 R764Y702-T760 WeakPolarHBondContact CE1-OG1 3.43Å; Y702-T760 PolarHBondContact OH-OG1 2.89Å; Y702-T760 VanDerWaalsContact OH-OG1 3.12Å; V706-T760 HydrophobicContact CG1-CG2 3.68Å; L715-T760 HydrophobicContact CD2-CG2 4.29Å; I719-T760 HydrophobicContact CD1-CG2 3.87Å; Y756-T760 PolarHBondContact O-N 3.35Å; Y756-T760 PolarHBondContact O-OG1 3.18Å; A757-T760 WeakPolarHBondContact O-CB 3.47Å; A757-T760 PolarHBondContact O-N 2.77Å; A757-T760 VanDerWaalsContact O-N 3.13Å; T760-K762 VanDerWaalsContact C-N 3.32Å; T760-K762 PolarHBondContact O-N 3.43Å; T760-A763 PolarHBondContact O-N 3.16Å; T760-R764 WeakPolarHBondContact O-CB 3.3Å; T760-R764 PolarHBondContact O-N 2.99Å
761V67.5Low64.8Low8 Ų873.7 Ų73.75%0.04838%0.375CS..Hα-helixtrans-57.5-48.4177.4171.60000110.1I719 A757 A758 A763 F765 L766 F770 F778I719-V761 HydrophobicContact CD1-CG2 4.46Å; I719-V761 HydrophobicContact CG2-CG2 4.18Å; A757-V761 WeakPolarHBondContact O-CB 3.31Å; A757-V761 VanDerWaalsContact O-CG2 3.28Å; A757-V761 WeakPolarHBondContact O-CG2 3.35Å; A757-V761 PolarHBondContact O-N 3.43Å; A758-V761 PolarHBondContact O-N 3.18Å; V761-A763 PolarHBondContact O-N 3.35Å; V761-F765 WeakPolarHBondContact O-CA 3.4Å; V761-F765 WeakPolarHBondContact O-CB 3.47Å; V761-F765 PolarHBondContact O-N 3.5Å; V761-L766 PolarHBondContact O-N 2.89Å; V761-F770 HydrophobicContact CG1-CE2 4.09Å; V761-F770 HydrophobicContact CG1-CZ 3.58Å; V761-F778 HydrophobicContact CG1-CE2 4.41Å
762K63.7Low63.8Low147 Ų14777.2 Ų77.264%0.63938%0.383SS*.Hα-helixtrans-62.4-42.4177.4-174.9178.8179.3-1780112.9A758 S759 T760 L766A758-K762 WeakPolarHBondContact O-CB 3.37Å; A758-K762 PolarHBondContact O-N 3.45Å; S759-K762 PolarHBondContact O-N 2.95Å; T760-K762 VanDerWaalsContact C-N 3.32Å; T760-K762 PolarHBondContact O-N 3.43Å; K762-L766 HydrophobicContact CB-CD1 4.23Å; K762-L766 HydrophobicContact CG-CD1 4.24Å; K762-L766 WeakPolarHBondContact O-CB 3.36Å
763A69.4Low62.3Low79 Ų7981.4 Ų81.465%0.65340%0.403SS*.Hα-helixtrans-75-36.7-176.700000113.4S759 T760 V761S759-A763 VanDerWaalsContact O-CB 3.32Å; S759-A763 WeakPolarHBondContact O-CB 3.39Å; S759-A763 PolarHBondContact O-N 2.98Å; T760-A763 PolarHBondContact O-N 3.16Å; V761-A763 PolarHBondContact O-N 3.35Å
764R71.5Confident60.6Low112 Ų11282.2 Ų82.242%0.42341%0.408SS..Hα-helixtrans-106.3-18.9-170.4-70.2-168.5165.4-166.7-3.9115.3V706 T760V706-R764 PolarHBondContact O-NH1 3.4Å; T760-R764 WeakPolarHBondContact O-CB 3.3Å; T760-R764 PolarHBondContact O-N 2.99Å
765F67Low59.3Low9 Ų986.8 Ų86.84%0.03943%0.427CS..THydrogen-bonded Turntrans-124.2-14.9-171-59.5-83.5000115.2R712 L715 M716 I719 V761 H767 F770R712-F765 HydrophobicContact CG-CD1 4.31Å; R712-F765 HydrophobicContact CG-CE1 3.42Å; R712-F765 VanDerWaalsContact CG-CE1 3.42Å; R712-F765 HydrophobicContact CG-CZ 4.05Å; R712-F765 VanDerWaalsContact NE-CD1 3.33Å; R712-F765 VanDerWaalsContact NE-CE1 3.34Å; L715-F765 HydrophobicContact CD2-CE2 4.16Å; L715-F765 HydrophobicContact CD2-CZ 4.1Å; L715-F765 HydrophobicContact CG-CE2 4.39Å; L715-F765 HydrophobicContact CG-CZ 4.18Å; M716-F765 HydrophobicContact CB-CE1 4.48Å; M716-F765 HydrophobicContact CE-CD1 4.39Å; M716-F765 HydrophobicContact CG-CD1 3.81Å; M716-F765 HydrophobicContact CG-CE1 3.07Å; M716-F765 HydrophobicContact CG-CE2 4.49Å; M716-F765 HydrophobicContact CG-CZ 3.46Å; M716-F765 VanDerWaalsContact CG-CZ 3.46Å; M716-F765 HydrophobicContact SD-CD1 3.32Å; M716-F765 WeakPolarHBondContact SD-CD1 3.34Å; M716-F765 HydrophobicContact SD-CD2 4.25Å; M716-F765 HydrophobicContact SD-CE1 3.18Å; M716-F765 WeakPolarHBondContact SD-CE1 3.47Å; M716-F765 HydrophobicContact SD-CE2 4.07Å; M716-F765 HydrophobicContact SD-CG 3.88Å; M716-F765 HydrophobicContact SD-CZ 3.55Å; M716-F765 VanDerWaalsContact SD-CZ 3.55Å; I719-F765 HydrophobicContact CD1-CE2 4.16Å; V761-F765 WeakPolarHBondContact O-CA 3.4Å; V761-F765 WeakPolarHBondContact O-CB 3.47Å; V761-F765 PolarHBondContact O-N 3.5Å; F765-H767 VanDerWaalsContact C-N 3.29Å; F765-H767 PolarHBondContact O-N 2.93Å; F765-F770 HydrophobicContact CB-CE2 4.25Å
766L56.1Low58.1Low101 Ų10186.8 Ų86.853%0.52942%0.419SS..THydrogen-bonded Turntrans-74.2-13.5-173.4-130.5105000114.9V761 K762 F770V761-L766 PolarHBondContact O-N 2.89Å; K762-L766 HydrophobicContact CB-CD1 4.23Å; K762-L766 HydrophobicContact CG-CD1 4.24Å; K762-L766 WeakPolarHBondContact O-CB 3.36Å; L766-F770 HydrophobicContact CD1-CE2 4.04Å; L766-F770 HydrophobicContact CG-CE2 4.4Å
767H51.5Low56.5Low181 Ų18186.7 Ų86.784%0.83842%0.421SS*.THydrogen-bonded Turntrans-85.3-6.2-174.4-84.7-68.8000115.4F765F765-H767 VanDerWaalsContact C-N 3.29Å; F765-H767 PolarHBondContact O-N 2.93Å
768E47.2Very low55.1Low130 Ų13090 Ų9061%0.60744%0.435SS*.SBendtrans-138.1159.1177.9-72.3179.3144.200110.7R712 F770R712-E768 IonicContact NH1-OE2 3.44Å; R712-E768 PolarHBondContact NH1-OE2 3.5Å; E768-F770 PolarHBondContact O-N 3.41Å
769K46.8Very low54.1Low212 Ų21295 Ų9592%0.92245%0.453SS*.  trans-3296.7-178.9-70.4178.5179.5176.80110.6D771K769-D771 PolarHBondContact O-N 3.3Å; K769-D771 VanDerWaalsContact O-N 3.11Å
770F41.8Very low52.7Low59 Ų5999.9 Ų99.926%0.25947%0.468SS..  trans-57.3121.6-178.4-140-106.6000106.7V761 F765 L766 E768 Y772 V774 K775V761-F770 HydrophobicContact CG1-CE2 4.09Å; V761-F770 HydrophobicContact CG1-CZ 3.58Å; F765-F770 HydrophobicContact CB-CE2 4.25Å; L766-F770 HydrophobicContact CD1-CE2 4.04Å; L766-F770 HydrophobicContact CG-CE2 4.4Å; E768-F770 PolarHBondContact O-N 3.41Å; F770-Y772 PolarHBondContact O-N 2.83Å; F770-V774 HydrophobicContact CD1-CB 3.85Å; F770-V774 HydrophobicContact CD1-CG1 4.14Å; F770-V774 HydrophobicContact CE1-CB 3.58Å; F770-V774 HydrophobicContact CE1-CG1 3.34Å; F770-V774 HydrophobicContact CZ-CB 4.41Å; F770-V774 HydrophobicContact CZ-CG1 3.83Å; F770-K775 HydrophobicContact CD1-CB 3.91Å; F770-K775 HydrophobicContact CD1-CG 4.49Å
771D45.9Very low51.3Low103 Ų103106 Ų10655%0.55149%0.49SS*.  trans-53.7130.5-179.6-138.5-29.1000107.5K769 Q773 V774 K775K769-D771 PolarHBondContact O-N 3.3Å; K769-D771 VanDerWaalsContact O-N 3.11Å; D771-Q773 PolarHBondContact O-N 3.32Å; D771-V774 HydrophobicContact CB-CG2 4.41Å; D771-V774 PolarHBondContact O-N 2.96Å; D771-K775 PolarHBondContact O-N 3.3Å; D771-K775 VanDerWaalsContact O-N 3.1Å
772Y47.3Very low50.5Low167 Ų167107.8 Ų107.866%0.65550%0.499SS*.Hα-helixtrans-54.2-31.2-169.7-169.6-90.2000110.7F770 K775 E776F770-Y772 PolarHBondContact O-N 2.83Å; Y772-K775 PolarHBondContact O-N 2.97Å; Y772-E776 HydrophobicContact CD1-CG 4.11Å; Y772-E776 VanDerWaalsContact CE1-CD 3.43Å; Y772-E776 HydrophobicContact CE1-CG 3.87Å; Y772-E776 WeakPolarHBondContact CE1-OE1 3.3Å; Y772-E776 WeakPolarHBondContact O-CB 3.33Å; Y772-E776 PolarHBondContact O-N 3.08Å
773Q45.9Very low49.9Very low148 Ų148103.2 Ų103.269%0.69248%0.481SS*.Hα-helixtrans-62.3-43.9173.6-69.7-179.4-9.400114.2D771 E776 M777D771-Q773 PolarHBondContact O-N 3.32Å; Q773-E776 CarbonylContact O-C 3.58Å; Q773-E776 PolarHBondContact O-N 3.08Å; Q773-M777 WeakPolarHBondContact O-CB 3.47Å; Q773-M777 PolarHBondContact O-N 3.04Å
774V46.6Very low49.2Very low18 Ų18106 Ų10611%0.10948%0.475CS..Hα-helixtrans-75.7-32.2178.7-1670000110.8M716 F770 D771 M777 F778M716-V774 HydrophobicContact CE-CG2 3.53Å; F770-V774 HydrophobicContact CD1-CB 3.85Å; F770-V774 HydrophobicContact CD1-CG1 4.14Å; F770-V774 HydrophobicContact CE1-CB 3.58Å; F770-V774 HydrophobicContact CE1-CG1 3.34Å; F770-V774 HydrophobicContact CZ-CB 4.41Å; F770-V774 HydrophobicContact CZ-CG1 3.83Å; D771-V774 HydrophobicContact CB-CG2 4.41Å; D771-V774 PolarHBondContact O-N 2.96Å; V774-M777 PolarHBondContact O-N 3.45Å; V774-F778 PolarHBondContact O-N 3.08Å
775K45.2Very low48.3Very low116 Ų116103.3 Ų103.350%0.50447%0.468SS..Hα-helixtrans-65.3-44.1173-157.9178.3-176.8-178.80109.6F770 D771 Y772 M779F770-K775 HydrophobicContact CD1-CB 3.91Å; F770-K775 HydrophobicContact CD1-CG 4.49Å; D771-K775 PolarHBondContact O-N 3.3Å; D771-K775 VanDerWaalsContact O-N 3.1Å; Y772-K775 PolarHBondContact O-N 2.97Å; K775-M779 HydrophobicContact CG-CG 4.2Å; K775-M779 WeakPolarHBondContact O-CA 3.5Å; K775-M779 WeakPolarHBondContact O-CB 3.49Å; K775-M779 WeakPolarHBondContact O-CG 3.38Å; K775-M779 PolarHBondContact O-N 3.02Å
776E44.9Very low47.8Very low79 Ų79105 Ų10537%0.36948%0.48SS..Hα-helixtrans-61.1-41.5169.5-90-174.1147.200111.6Y772 Q773 F778 M779 F780Y772-E776 HydrophobicContact CD1-CG 4.11Å; Y772-E776 VanDerWaalsContact CE1-CD 3.43Å; Y772-E776 HydrophobicContact CE1-CG 3.87Å; Y772-E776 WeakPolarHBondContact CE1-OE1 3.3Å; Y772-E776 WeakPolarHBondContact O-CB 3.33Å; Y772-E776 PolarHBondContact O-N 3.08Å; Q773-E776 CarbonylContact O-C 3.58Å; Q773-E776 PolarHBondContact O-N 3.08Å; E776-F778 VanDerWaalsContact C-N 3.35Å; E776-F778 PolarHBondContact O-N 2.93Å; E776-M779 CarbonylContact O-C 3.59Å; E776-M779 PolarHBondContact O-N 2.94Å; E776-F780 HydrophobicContact CB-CD2 4.25Å; E776-F780 HydrophobicContact CG-CD2 4.24Å; E776-F780 HydrophobicContact CG-CE2 4.43Å; E776-F780 WeakPolarHBondContact O-CA 3.42Å; E776-F780 VanDerWaalsContact O-CB 3.23Å; E776-F780 WeakPolarHBondContact O-CB 3.34Å; E776-F780 PolarHBondContact O-N 2.84Å
777M45.9Very low47.7Very low47 Ų47101.3 Ų101.323%0.23246%0.462CS..Hα-helixtrans-67.6-33-178.2-134.8166.574.500113.3T720 L723 M724 Q773 V774T720-M777 HydrophobicContact CG2-CE 4.47Å; T720-M777 HydrophobicContact CG2-SD 4.38Å; L723-M777 HydrophobicContact CB-CE 3.43Å; L723-M777 VanDerWaalsContact CB-CE 3.43Å; L723-M777 HydrophobicContact CD1-CE 3.33Å; L723-M777 HydrophobicContact CG-CE 4.01Å; M724-M777 HydrophobicContact CG-SD 4.43Å; M724-M777 HydrophobicContact SD-SD 4.08Å; Q773-M777 WeakPolarHBondContact O-CB 3.47Å; Q773-M777 PolarHBondContact O-N 3.04Å; V774-M777 PolarHBondContact O-N 3.45Å
778F45.9Very low47.7Very low73 Ų7393 Ų9332%0.3243%0.425SS..Hα-helixtrans-83.5-26.9171.4-102-87.5000113.5A758 V761 V774 E776 M783A758-F778 HydrophobicContact CB-CZ 4.33Å; V761-F778 HydrophobicContact CG1-CE2 4.41Å; V774-F778 PolarHBondContact O-N 3.08Å; E776-F778 VanDerWaalsContact C-N 3.35Å; E776-F778 PolarHBondContact O-N 2.93Å; F778-M783 HydrophobicContact CD1-CE 4.29Å; F778-M783 HydrophobicContact CD2-CE 4.37Å; F778-M783 HydrophobicContact CE1-CE 4.07Å; F778-M783 HydrophobicContact CE2-CE 4.16Å; F778-M783 HydrophobicContact CG-CE 4.44Å; F778-M783 HydrophobicContact CZ-CE 4.01Å
779M43.3Very low48.2Very low141 Ų14193 Ų9370%0.69542%0.419SS*.Hα-helixtrans-95-21.3-177.2-68.6-70.5-135.300114.4K775 E776 R781K775-M779 HydrophobicContact CG-CG 4.2Å; K775-M779 WeakPolarHBondContact O-CA 3.5Å; K775-M779 WeakPolarHBondContact O-CB 3.49Å; K775-M779 WeakPolarHBondContact O-CG 3.38Å; K775-M779 PolarHBondContact O-N 3.02Å; E776-M779 CarbonylContact O-C 3.59Å; E776-M779 PolarHBondContact O-N 2.94Å; M779-R781 PolarHBondContact O-N 3.07Å
780F38.9Very low48.6Very low156 Ų15687.6 Ų87.668%0.68440%0.397SS*.SBendtrans-69.182.4167.3-107.5-87.3000107.1E776E776-F780 HydrophobicContact CB-CD2 4.25Å; E776-F780 HydrophobicContact CG-CD2 4.24Å; E776-F780 HydrophobicContact CG-CE2 4.43Å; E776-F780 WeakPolarHBondContact O-CA 3.42Å; E776-F780 VanDerWaalsContact O-CB 3.23Å; E776-F780 WeakPolarHBondContact O-CB 3.34Å; E776-F780 PolarHBondContact O-N 2.84Å
781R45.7Very low49.1Very low141 Ų14186.5 Ų86.553%0.53239%0.394SS..SBendtrans61.198.4-177-56.6177.8168.3-1560.4111.4M779 M783 T786M779-R781 PolarHBondContact O-N 3.07Å; R781-M783 PolarHBondContact O-N 3.26Å; R781-T786 WeakPolarHBondContact CB-OG1 3.45Å; R781-T786 PolarHBondContact O-OG1 3.06Å
782D49.5Very low49.6Very low44 Ų4482.8 Ų82.824%0.23538%0.375CS..  trans-25.4110.5163179.8-9000109.8R784 L785 T786D782-R784 PolarHBondContact O-N 3.48Å; D782-R784 VanDerWaalsContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CG 3.22Å; D782-R784 IonicContact OD1-CZ 3.14Å; D782-R784 PolarHBondContact OD1-N 3.13Å; D782-R784 IonicContact OD1-NE 3.15Å; D782-R784 PolarHBondContact OD1-NE 2.65Å; D782-R784 IonicContact OD1-NH2 2.75Å; D782-R784 IonicContact OD2-CZ 3.93Å; D782-R784 VanDerWaalsContact OD2-CZ 3.29Å; D782-R784 IonicContact OD2-NE 2.77Å; D782-R784 PolarHBondContact OD2-NE 3.48Å; D782-R784 VanDerWaalsContact OD2-NE 3.13Å; D782-R784 IonicContact OD2-NH2 2.69Å; D782-R784 PolarHBondContact OD2-NH2 3.18Å; D782-L785 HydrophobicContact CB-CB 4.21Å; D782-L785 HydrophobicContact CB-CD1 3.95Å; D782-L785 WeakPolarHBondContact O-CA 3.27Å; D782-L785 VanDerWaalsContact O-CB 3.29Å; D782-L785 WeakPolarHBondContact O-CB 3.28Å; D782-L785 PolarHBondContact O-N 3.27Å; D782-T786 PolarHBondContact O-N 3.47Å
783M51.3Low50.4Low52 Ų5279 Ų7926%0.25636%0.359SS..Hα-helixtrans-56.3-20.6-173.3-79.8-172-101.200111.4L723 L754 F778 R781 T786 C787L723-M783 HydrophobicContact CD2-CE 4.46Å; L754-M783 HydrophobicContact CD1-SD 4.39Å; L754-M783 HydrophobicContact CD2-SD 4.02Å; F778-M783 HydrophobicContact CD1-CE 4.29Å; F778-M783 HydrophobicContact CD2-CE 4.37Å; F778-M783 HydrophobicContact CE1-CE 4.07Å; F778-M783 HydrophobicContact CE2-CE 4.16Å; F778-M783 HydrophobicContact CG-CE 4.44Å; F778-M783 HydrophobicContact CZ-CE 4.01Å; R781-M783 PolarHBondContact O-N 3.26Å; M783-T786 PolarHBondContact O-N 3.48Å; M783-C787 WeakPolarHBondContact O-CB 3.44Å; M783-C787 PolarHBondContact O-N 3.35Å; M783-C787 PolarHBondContact O-SG 3.22Å
784R54.9Low51.1Low138 Ų13874.8 Ų74.852%0.52135%0.347SS..Hα-helixtrans-67.3-39170.7-58.7171.2-68.3-174.22.1112.6D782 G788D782-R784 PolarHBondContact O-N 3.48Å; D782-R784 VanDerWaalsContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CG 3.22Å; D782-R784 IonicContact OD1-CZ 3.14Å; D782-R784 PolarHBondContact OD1-N 3.13Å; D782-R784 IonicContact OD1-NE 3.15Å; D782-R784 PolarHBondContact OD1-NE 2.65Å; D782-R784 IonicContact OD1-NH2 2.75Å; D782-R784 IonicContact OD2-CZ 3.93Å; D782-R784 VanDerWaalsContact OD2-CZ 3.29Å; D782-R784 IonicContact OD2-NE 2.77Å; D782-R784 PolarHBondContact OD2-NE 3.48Å; D782-R784 VanDerWaalsContact OD2-NE 3.13Å; D782-R784 IonicContact OD2-NH2 2.69Å; D782-R784 PolarHBondContact OD2-NH2 3.18Å; R784-G788 WeakPolarHBondContact O-CA 3.49Å; R784-G788 PolarHBondContact O-N 3.27Å
785L53.6Low51.9Low54 Ų5476.1 Ų76.128%0.28335%0.352SS..Hα-helixtrans-68.5-44.4171.4-94.5148.4000110.6D782 G788 R789 V826 L829D782-L785 HydrophobicContact CB-CB 4.21Å; D782-L785 HydrophobicContact CB-CD1 3.95Å; D782-L785 WeakPolarHBondContact O-CA 3.27Å; D782-L785 VanDerWaalsContact O-CB 3.29Å; D782-L785 WeakPolarHBondContact O-CB 3.28Å; D782-L785 PolarHBondContact O-N 3.27Å; L785-G788 PolarHBondContact O-N 2.93Å; L785-R789 WeakPolarHBondContact O-CB 3.42Å; L785-R789 PolarHBondContact O-N 3.49Å; L785-V826 HydrophobicContact CG-CG2 4.29Å; L785-L829 HydrophobicContact CD2-CD1 3.93Å
786T55.8Low53Low46 Ų4670.6 Ų70.628%0.28233%0.328SS..Hα-helixtrans-64.1-43.7176.6-52.20000111.2R781 D782 M783 R789 E790R781-T786 WeakPolarHBondContact CB-OG1 3.45Å; R781-T786 PolarHBondContact O-OG1 3.06Å; D782-T786 PolarHBondContact O-N 3.47Å; M783-T786 PolarHBondContact O-N 3.48Å; T786-R789 PolarHBondContact O-N 2.86Å; T786-E790 HydrophobicContact CG2-CG 4.07Å; T786-E790 VanDerWaalsContact O-CB 3.31Å; T786-E790 WeakPolarHBondContact O-CB 3.43Å; T786-E790 PolarHBondContact O-N 3.33Å
787C53.4Low54.4Low23 Ų2370.8 Ų70.816%0.15533%0.328CS..Iπ-helixtrans-63.9-47.2172.8-69.90000111.2M783 R789 L791 V792M783-C787 WeakPolarHBondContact O-CB 3.44Å; M783-C787 PolarHBondContact O-N 3.35Å; M783-C787 PolarHBondContact O-SG 3.22Å; C787-R789 VanDerWaalsContact C-N 3.27Å; C787-R789 PolarHBondContact O-N 2.81Å; C787-L791 HydrophobicContact CB-CB 4.35Å; C787-L791 HydrophobicContact CB-CD1 4.32Å; C787-L791 CarbonylContact O-C 3.6Å; C787-L791 VanDerWaalsContact O-CA 3.25Å; C787-L791 WeakPolarHBondContact O-CA 3.39Å; C787-L791 WeakPolarHBondContact O-CB 3.4Å; C787-L791 PolarHBondContact O-N 2.93Å; C787-V792 PolarHBondContact O-N 3.41Å
788G52.8Low55.4Low5 Ų572.9 Ų72.95%0.05235%0.347CS..Iπ-helixtrans-61.1-37.317800000112.9R784 L785 R793R784-G788 WeakPolarHBondContact O-CA 3.49Å; R784-G788 PolarHBondContact O-N 3.27Å; L785-G788 PolarHBondContact O-N 2.93Å; G788-R793 PolarHBondContact O-N 3.45Å
789R57.5Low56.4Low132 Ų13270.6 Ų70.650%0.49834%0.338SS..Iπ-helixtrans-87.4-48.3-173.1-158.7178179.51770.1113.4L785 T786 C787 R793 S794L785-R789 WeakPolarHBondContact O-CB 3.42Å; L785-R789 PolarHBondContact O-N 3.49Å; T786-R789 PolarHBondContact O-N 2.86Å; C787-R789 VanDerWaalsContact C-N 3.27Å; C787-R789 PolarHBondContact O-N 2.81Å; R789-R793 WeakPolarHBondContact O-CB 3.42Å; R789-S794 PolarHBondContact O-N 3.42Å; R789-S794 PolarHBondContact O-OG 3.24Å
790E54Low57.7Low98 Ų9867.6 Ų67.646%0.45832%0.324SS..Iπ-helixtrans-84.1-41.5178.1-59.1-59.9158.800111.6T786 S794T786-E790 HydrophobicContact CG2-CG 4.07Å; T786-E790 VanDerWaalsContact O-CB 3.31Å; T786-E790 WeakPolarHBondContact O-CB 3.43Å; T786-E790 PolarHBondContact O-N 3.33Å; E790-S794 WeakPolarHBondContact O-CB 3.37Å
791L52.6Low59.4Low35 Ų3563.5 Ų63.518%0.18331%0.309CS..Iπ-helixtrans-92.2-44.4-162.3-150.9157.2000112.1L730 N747 C787 M795L730-L791 HydrophobicContact CD1-CD1 4.45Å; L730-L791 HydrophobicContact CD2-CD1 3.61Å; L730-L791 HydrophobicContact CD2-CG 4.41Å; N747-L791 HydrophobicContact CB-CD1 4.44Å; N747-L791 HydrophobicContact CB-CD2 3.86Å; N747-L791 HydrophobicContact CB-CG 4.34Å; C787-L791 HydrophobicContact CB-CB 4.35Å; C787-L791 HydrophobicContact CB-CD1 4.32Å; C787-L791 CarbonylContact O-C 3.6Å; C787-L791 VanDerWaalsContact O-CA 3.25Å; C787-L791 WeakPolarHBondContact O-CA 3.39Å; C787-L791 WeakPolarHBondContact O-CB 3.4Å; C787-L791 PolarHBondContact O-N 2.93Å; L791-M795 WeakPolarHBondContact O-CB 2.96Å
792V57.1Low60.6Low26 Ų2662.2 Ų62.216%0.15831%0.312CS..Iπ-helixtrans-86-45.6177-172.70000111.1C787 W796 I815 I833C787-V792 PolarHBondContact O-N 3.41Å; V792-W796 WeakPolarHBondContact O-CB 3.44Å; V792-W796 PolarHBondContact O-N 3.09Å; V792-W796 VanDerWaalsContact O-N 3.08Å; V792-I815 HydrophobicContact CG1-CD1 3.92Å; V792-I815 HydrophobicContact CG1-CG1 3.93Å; V792-I833 HydrophobicContact CG1-CD1 3.63Å
793R63.2Low61.4Low86 Ų8663 Ų6333%0.32531%0.314SS..Iπ-helixtrans-79.6-54.3-173.5-167.3-177.7175.288.78113G788 R789 M795 W796 F797 L829G788-R793 PolarHBondContact O-N 3.45Å; R789-R793 WeakPolarHBondContact O-CB 3.42Å; R793-M795 VanDerWaalsContact C-N 3.28Å; R793-M795 PolarHBondContact O-N 2.9Å; R793-W796 PolarHBondContact O-N 3.29Å; R793-F797 HydrophobicContact CG-CD2 3.57Å; R793-F797 HydrophobicContact CG-CE2 3.74Å; R793-F797 VanDerWaalsContact O-CD2 3.27Å; R793-F797 WeakPolarHBondContact O-CD2 3.47Å; R793-F797 PolarHBondContact O-N 2.81Å; R793-L829 PolarHBondContact NH1-O 3.42Å; R793-L829 VanDerWaalsContact NH1-O 3.13Å
794S61.4Low62.4Low61 Ų6161.5 Ų61.543%0.42731%0.306SS..Iπ-helixtrans-61.4-39.2-179.3-53.40000111.5R789 E790 S798R789-S794 PolarHBondContact O-N 3.42Å; R789-S794 PolarHBondContact O-OG 3.24Å; E790-S794 WeakPolarHBondContact O-CB 3.37Å; S794-S798 VanDerWaalsContact O-CB 3.31Å; S794-S798 WeakPolarHBondContact O-CB 3.35Å; S794-S798 PolarHBondContact O-N 2.98Å; S794-S798 PolarHBondContact O-OG 3.35Å
795M62.3Low63.4Low46 Ų4656.9 Ų56.923%0.22729%0.292CS..Hα-helixtrans-61.3-54.1172.9-177.3-161.175.700112.7F744 L791 R793 F797 S798 M799 L811F744-M795 HydrophobicContact CD2-SD 4.37Å; L791-M795 WeakPolarHBondContact O-CB 2.96Å; R793-M795 VanDerWaalsContact C-N 3.28Å; R793-M795 PolarHBondContact O-N 2.9Å; M795-F797 VanDerWaalsContact C-N 3.3Å; M795-F797 PolarHBondContact O-N 2.82Å; M795-S798 PolarHBondContact O-N 3.39Å; M795-S798 PolarHBondContact O-OG 3.47Å; M795-M799 WeakPolarHBondContact O-CG 3.46Å; M795-M799 PolarHBondContact O-N 3.24Å; M795-L811 HydrophobicContact CE-CD1 4.18Å
796W69.1Low64.1Low0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-60.3-42.7-176.7178.1-94.2000111.5V792 R793 S798 M799 K804 F807 I808 L811 I833 D836 M837V792-W796 WeakPolarHBondContact O-CB 3.44Å; V792-W796 PolarHBondContact O-N 3.09Å; V792-W796 VanDerWaalsContact O-N 3.08Å; R793-W796 PolarHBondContact O-N 3.29Å; W796-S798 VanDerWaalsContact C-N 3.34Å; W796-S798 PolarHBondContact O-N 2.89Å; W796-M799 PolarHBondContact O-N 2.82Å; W796-K804 HydrophobicContact CD2-CG 4.42Å; W796-K804 HydrophobicContact CH2-CB 3.72Å; W796-K804 HydrophobicContact CH2-CD 4.46Å; W796-K804 HydrophobicContact CH2-CG 3.9Å; W796-K804 HydrophobicContact CZ2-CB 3.91Å; W796-K804 HydrophobicContact CZ2-CD 3.86Å; W796-K804 HydrophobicContact CZ2-CG 3.79Å; W796-K804 HydrophobicContact CZ3-CB 4.32Å; W796-K804 HydrophobicContact CZ3-CG 4.26Å; W796-K804 WeakPolarHBondContact O-CE 3.22Å; W796-F807 HydrophobicContact CZ3-CB 4.48Å; W796-I808 HydrophobicContact CH2-CG1 3.85Å; W796-L811 HydrophobicContact CE3-CD1 3.95Å; W796-L811 HydrophobicContact CZ3-CD1 3.93Å; W796-I833 HydrophobicContact CD2-CG2 3.85Å; W796-I833 HydrophobicContact CG-CG2 3.77Å; W796-D836 PolarHBondContact NE1-OD2 2.81Å; W796-M837 HydrophobicContact CE3-CE 4.1Å; W796-M837 HydrophobicContact CH2-CE 3.68Å; W796-M837 HydrophobicContact CH2-CG 3.53Å; W796-M837 HydrophobicContact CH2-SD 4.5Å; W796-M837 HydrophobicContact CZ2-CB 4.26Å; W796-M837 HydrophobicContact CZ2-CE 4.14Å; W796-M837 HydrophobicContact CZ2-CG 3.32Å; W796-M837 HydrophobicContact CZ3-CE 3.65Å; W796-M837 HydrophobicContact CZ3-CG 4.43Å
797F74.6Confident64.7Low82 Ų8260.3 Ų60.336%0.3630%0.303SS..Hα-helixtrans-81-9.5-178.8-71.8-74.1000114.2R793 M795 I833 D836R793-F797 HydrophobicContact CG-CD2 3.57Å; R793-F797 HydrophobicContact CG-CE2 3.74Å; R793-F797 VanDerWaalsContact O-CD2 3.27Å; R793-F797 WeakPolarHBondContact O-CD2 3.47Å; R793-F797 PolarHBondContact O-N 2.81Å; M795-F797 VanDerWaalsContact C-N 3.3Å; M795-F797 PolarHBondContact O-N 2.82Å; F797-I833 HydrophobicContact CE2-CG1 4.12Å; F797-D836 HydrophobicContact CE1-CB 4.09Å; F797-D836 HydrophobicContact CZ-CB 4.24Å
798S66.1Low65.9Low92 Ų9259.3 Ų59.364%0.64330%0.296SS*.Hα-helixtrans-83.8-20.3170.263.10000113.4S794 M795 W796S794-S798 VanDerWaalsContact O-CB 3.31Å; S794-S798 WeakPolarHBondContact O-CB 3.35Å; S794-S798 PolarHBondContact O-N 2.98Å; S794-S798 PolarHBondContact O-OG 3.35Å; M795-S798 PolarHBondContact O-N 3.39Å; M795-S798 PolarHBondContact O-OG 3.47Å; W796-S798 VanDerWaalsContact C-N 3.34Å; W796-S798 PolarHBondContact O-N 2.89Å
799M66.7Low66.8Low25 Ų2561.7 Ų61.712%0.12331%0.311CS..SBendtrans-73.6147.9178.9-67.1167.668.400112.1M795 W796 E803 K804 F807M795-M799 WeakPolarHBondContact O-CG 3.46Å; M795-M799 PolarHBondContact O-N 3.24Å; W796-M799 PolarHBondContact O-N 2.82Å; M799-E803 WeakPolarHBondContact CA-OE2 3.4Å; M799-E803 HydrophobicContact CB-CB 4.21Å; M799-E803 HydrophobicContact CE-CB 3.74Å; M799-K804 HydrophobicContact CB-CG 3.88Å; M799-K804 WeakPolarHBondContact O-CE 3.26Å; M799-F807 HydrophobicContact CE-CB 4.19Å; M799-F807 HydrophobicContact CE-CD2 3.24Å; M799-F807 HydrophobicContact CE-CE2 3.78Å; M799-F807 HydrophobicContact CE-CG 3.92Å
800N72.1Confident67.3Low77 Ų7759 Ų5941%0.41231%0.311SS..  trans-78.8172.8173.273.250.3000112.2I802 E803 K804N800-I802 VanDerWaalsContact C-N 3.34Å; N800-I802 PolarHBondContact O-N 3.41Å; N800-I802 PolarHBondContact OD1-N 3.02Å; N800-E803 PolarHBondContact N-OE2 3.42Å; N800-E803 PolarHBondContact ND2-OE1 3.34Å; N800-E803 PolarHBondContact ND2-OE2 2.95Å; N800-E803 PolarHBondContact O-N 3.31Å; N800-E803 WeakPolarHBondContact OD1-CG 3.23Å; N800-E803 PolarHBondContact OD1-N 2.99Å; N800-K804 VanDerWaalsContact O-CG 3.32Å; N800-K804 WeakPolarHBondContact O-CG 3.1Å; N800-K804 PolarHBondContact O-N 2.95Å
801L72.9Confident68.1Low70 Ų7054.7 Ų54.737%0.36629%0.291SS..Hα-helixtrans-61.4-39-174.1-164.976.2000113.1N805 T840 L844L801-N805 PolarHBondContact O-N 3.49Å; L801-T840 HydrophobicContact CD1-CG2 3.89Å; L801-T840 HydrophobicContact CG-CG2 4.25Å; L801-T840 WeakPolarHBondContact O-CG2 3.43Å; L801-L844 HydrophobicContact CD2-CD2 3.69Å; L801-L844 HydrophobicContact CD2-CG 3.83Å; L801-L844 HydrophobicContact CG-CD1 4.32Å; L801-L844 HydrophobicContact CG-CD2 4.05Å; L801-L844 HydrophobicContact CG-CG 3.92Å
802I70.9Confident69.6Low115 Ų11553 Ų5359%0.5928%0.282SS*.Hα-helixtrans-72.6-47.5-177.1-60.3172.1000109.5N800 K804 N805 E806 L844N800-I802 VanDerWaalsContact C-N 3.34Å; N800-I802 PolarHBondContact O-N 3.41Å; N800-I802 PolarHBondContact OD1-N 3.02Å; I802-K804 VanDerWaalsContact C-N 3.34Å; I802-K804 PolarHBondContact O-N 3.41Å; I802-N805 PolarHBondContact O-N 2.79Å; I802-E806 PolarHBondContact O-N 3Å; I802-L844 HydrophobicContact CG1-CD2 4.45Å
803E67.7Low70.3Confident61 Ų6152 Ų5229%0.28528%0.277SS..Hα-helixtrans-55.9-48.9176.1-70.7164.2179.300110.7M799 N800 N805 E806 F807M799-E803 WeakPolarHBondContact CA-OE2 3.4Å; M799-E803 HydrophobicContact CB-CB 4.21Å; M799-E803 HydrophobicContact CE-CB 3.74Å; N800-E803 PolarHBondContact N-OE2 3.42Å; N800-E803 PolarHBondContact ND2-OE1 3.34Å; N800-E803 PolarHBondContact ND2-OE2 2.95Å; N800-E803 PolarHBondContact O-N 3.31Å; N800-E803 WeakPolarHBondContact OD1-CG 3.23Å; N800-E803 PolarHBondContact OD1-N 2.99Å; E803-N805 VanDerWaalsContact C-N 3.26Å; E803-N805 PolarHBondContact O-N 3.01Å; E803-E806 PolarHBondContact O-N 3.33Å; E803-F807 VanDerWaalsContact O-CD2 3.3Å; E803-F807 WeakPolarHBondContact O-CD2 3.41Å; E803-F807 PolarHBondContact O-N 3.29Å
804K71.4Confident70.6Confident19 Ų1950.8 Ų50.88%0.08328%0.282CS..Hα-helixtrans-53.1-44.6179.3-78.1176.5176.7-177.70112.2W796 M799 N800 I802 E806 F807 I808 D836 T840W796-K804 HydrophobicContact CD2-CG 4.42Å; W796-K804 HydrophobicContact CH2-CB 3.72Å; W796-K804 HydrophobicContact CH2-CD 4.46Å; W796-K804 HydrophobicContact CH2-CG 3.9Å; W796-K804 HydrophobicContact CZ2-CB 3.91Å; W796-K804 HydrophobicContact CZ2-CD 3.86Å; W796-K804 HydrophobicContact CZ2-CG 3.79Å; W796-K804 HydrophobicContact CZ3-CB 4.32Å; W796-K804 HydrophobicContact CZ3-CG 4.26Å; W796-K804 WeakPolarHBondContact O-CE 3.22Å; M799-K804 HydrophobicContact CB-CG 3.88Å; M799-K804 WeakPolarHBondContact O-CE 3.26Å; N800-K804 VanDerWaalsContact O-CG 3.32Å; N800-K804 WeakPolarHBondContact O-CG 3.1Å; N800-K804 PolarHBondContact O-N 2.95Å; I802-K804 VanDerWaalsContact C-N 3.34Å; I802-K804 PolarHBondContact O-N 3.41Å; K804-E806 PolarHBondContact O-N 2.89Å; K804-F807 PolarHBondContact O-N 2.98Å; K804-F807 VanDerWaalsContact O-N 3.12Å; K804-I808 WeakPolarHBondContact O-CG1 3.39Å; K804-I808 PolarHBondContact O-N 3.35Å; K804-I808 VanDerWaalsContact O-N 3.09Å; K804-D836 WeakPolarHBondContact CE-OD2 3.09Å; K804-D836 IonicContact NZ-OD1 3.24Å; K804-D836 IonicContact NZ-OD2 3.28Å; K804-D836 PolarHBondContact NZ-OD2 2.94Å; K804-T840 HydrophobicContact CB-CG2 3.66Å
805N75.6Confident71.3Confident41 Ų4148.2 Ų48.222%0.21926%0.263CS..Hα-helixtrans-63.5-38.3-176.2-168.774.4000113.5L801 I802 E803 F807 I808 T840 L844L801-N805 PolarHBondContact O-N 3.49Å; I802-N805 PolarHBondContact O-N 2.79Å; E803-N805 VanDerWaalsContact C-N 3.26Å; E803-N805 PolarHBondContact O-N 3.01Å; N805-F807 PolarHBondContact O-N 2.9Å; N805-I808 PolarHBondContact O-N 2.72Å; N805-T840 HydrophobicContact CB-CG2 4.2Å; N805-L844 HydrophobicContact CB-CD1 3.24Å; N805-L844 VanDerWaalsContact CG-CD1 3.45Å
806E68.9Low72.3Confident142 Ų14246 Ų4666%0.66425%0.253SS*.Hα-helixtrans-65.5-28.4176.3-64.6-168.5156.200112.4I802 E803 K804I802-E806 PolarHBondContact O-N 3Å; E803-E806 PolarHBondContact O-N 3.33Å; K804-E806 PolarHBondContact O-N 2.89Å
807F69Low72.6Confident30 Ų3051.5 Ų51.513%0.13228%0.278CS..Hα-helixtrans-92.3-14.1-178.6-79.9-81.2000114.9F740 W796 M799 E803 K804 N805 C810 L811F740-F807 AromaticContact CD2-CE2 3.78Å; F740-F807 HydrophobicContact CD2-CE2 3.78Å; F740-F807 AromaticContact CD2-CZ 3.63Å; F740-F807 HydrophobicContact CD2-CZ 3.63Å; F740-F807 AromaticContact CE2-CE2 3.43Å; F740-F807 HydrophobicContact CE2-CE2 3.43Å; F740-F807 VanDerWaalsContact CE2-CE2 3.43Å; F740-F807 AromaticContact CE2-CZ 3.44Å; F740-F807 HydrophobicContact CE2-CZ 3.44Å; F740-F807 VanDerWaalsContact CE2-CZ 3.44Å; F740-F807 HydrophobicContact CZ-CE2 4.42Å; W796-F807 HydrophobicContact CZ3-CB 4.48Å; M799-F807 HydrophobicContact CE-CB 4.19Å; M799-F807 HydrophobicContact CE-CD2 3.24Å; M799-F807 HydrophobicContact CE-CE2 3.78Å; M799-F807 HydrophobicContact CE-CG 3.92Å; E803-F807 VanDerWaalsContact O-CD2 3.3Å; E803-F807 WeakPolarHBondContact O-CD2 3.41Å; E803-F807 PolarHBondContact O-N 3.29Å; K804-F807 PolarHBondContact O-N 2.98Å; K804-F807 VanDerWaalsContact O-N 3.12Å; N805-F807 PolarHBondContact O-N 2.9Å; F807-C810 PolarHBondContact O-N 3.46Å; F807-C810 PolarHBondContact O-SG 3.43Å; F807-L811 HydrophobicContact CB-CD1 3.79Å; F807-L811 HydrophobicContact CB-CG 4.13Å; F807-L811 HydrophobicContact CD1-CD1 4.31Å; F807-L811 HydrophobicContact CD1-CG 4.37Å; F807-L811 HydrophobicContact CG-CD1 4.37Å; F807-L811 WeakPolarHBondContact O-CB 3.48Å; F807-L811 WeakPolarHBondContact O-CG 2.78Å; F807-L811 PolarHBondContact O-N 2.93Å
808I77.7Confident72.6Confident2 Ų249.5 Ų49.51%0.0127%0.272CS..Hα-helixtrans-52.3-52.9179.3-71.7170.6000111.3W796 K804 N805 C810 L811 V812 M837 T840 E841 F870W796-I808 HydrophobicContact CH2-CG1 3.85Å; K804-I808 WeakPolarHBondContact O-CG1 3.39Å; K804-I808 PolarHBondContact O-N 3.35Å; K804-I808 VanDerWaalsContact O-N 3.09Å; N805-I808 PolarHBondContact O-N 2.72Å; I808-C810 VanDerWaalsContact C-N 3.28Å; I808-C810 PolarHBondContact O-N 2.94Å; I808-L811 PolarHBondContact O-N 2.78Å; I808-V812 HydrophobicContact CG2-CG2 3.84Å; I808-V812 WeakPolarHBondContact O-CG2 3.44Å; I808-V812 PolarHBondContact O-N 2.81Å; I808-V812 VanDerWaalsContact O-N 3.08Å; I808-M837 HydrophobicContact CD1-CB 4.12Å; I808-M837 WeakPolarHBondContact CD1-O 3.48Å; I808-M837 HydrophobicContact CG1-CB 4.1Å; I808-M837 HydrophobicContact CG1-CG 4.02Å; I808-T840 HydrophobicContact CD1-CG2 4.28Å; I808-E841 HydrophobicContact CD1-CB 4.43Å; I808-F870 HydrophobicContact CG2-CB 3.97Å; I808-F870 HydrophobicContact CG2-CD2 4.1Å
809P71.5Confident73.3Confident56 Ų5645.1 Ų45.136%0.36424%0.242SC..Hα-helixtrans-61.4-32.9-174.7-24.135.4000113.8E873P809-E873 WeakPolarHBondContact O-CG 3.45Å
810C68.3Low74Confident74 Ų7444.1 Ų44.150%0.524%0.237SC..Hα-helixtrans-89.9-27.9-178.261.90000113.6F807 I808F807-C810 PolarHBondContact O-N 3.46Å; F807-C810 PolarHBondContact O-SG 3.43Å; I808-C810 VanDerWaalsContact C-N 3.28Å; I808-C810 PolarHBondContact O-N 2.94Å
811L72Confident74.2Confident8 Ų843.2 Ų43.24%0.04223%0.232CC..Hα-helixtrans-89.7-25.9-177.1-67.7-175.1000114.2F744 M795 W796 F807 I808 G813 S814 I815 M837F744-L811 HydrophobicContact CE2-CD2 3.6Å; F744-L811 HydrophobicContact CZ-CD2 3.85Å; M795-L811 HydrophobicContact CE-CD1 4.18Å; W796-L811 HydrophobicContact CE3-CD1 3.95Å; W796-L811 HydrophobicContact CZ3-CD1 3.93Å; F807-L811 HydrophobicContact CB-CD1 3.79Å; F807-L811 HydrophobicContact CB-CG 4.13Å; F807-L811 HydrophobicContact CD1-CD1 4.31Å; F807-L811 HydrophobicContact CD1-CG 4.37Å; F807-L811 HydrophobicContact CG-CD1 4.37Å; F807-L811 WeakPolarHBondContact O-CB 3.48Å; F807-L811 WeakPolarHBondContact O-CG 2.78Å; F807-L811 PolarHBondContact O-N 2.93Å; I808-L811 PolarHBondContact O-N 2.78Å; L811-G813 VanDerWaalsContact C-N 3.28Å; L811-G813 PolarHBondContact O-N 2.97Å; L811-S814 PolarHBondContact O-N 3.31Å; L811-S814 VanDerWaalsContact O-N 3.15Å; L811-I815 HydrophobicContact CB-CD1 4.32Å; L811-I815 WeakPolarHBondContact O-CG1 3.23Å; L811-I815 PolarHBondContact O-N 3.08Å; L811-M837 HydrophobicContact CB-CE 3.99Å
812V82.9Confident74.4Confident0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-52.4-47.3-178.2163.80000111.5I808 L816 M837 F870 E873 F874I808-V812 HydrophobicContact CG2-CG2 3.84Å; I808-V812 WeakPolarHBondContact O-CG2 3.44Å; I808-V812 PolarHBondContact O-N 2.81Å; I808-V812 VanDerWaalsContact O-N 3.08Å; V812-L816 WeakPolarHBondContact O-CB 3.18Å; V812-L816 PolarHBondContact O-N 3.48Å; V812-M837 HydrophobicContact CG2-CE 4.35Å; V812-M837 HydrophobicContact CG2-SD 3.67Å; V812-F870 HydrophobicContact CG2-CD2 3.72Å; V812-F870 HydrophobicContact CG2-CE2 3.93Å; V812-E873 HydrophobicContact CB-CB 4.5Å; V812-E873 HydrophobicContact CB-CG 3.9Å; V812-E873 HydrophobicContact CG1-CB 4.4Å; V812-E873 HydrophobicContact CG1-CG 4.04Å; V812-F874 VanDerWaalsContact CG1-CA 3.49Å; V812-F874 HydrophobicContact CG1-CB 3.92Å; V812-F874 HydrophobicContact CG1-CD2 3.97Å; V812-F874 HydrophobicContact CG1-CG 4.37Å
813G72.1Confident74.6Confident5 Ų541.1 Ų41.15%0.05223%0.229CC..Hα-helixtrans-61.4-48.6177.500000113.6L811 I815 L816 E817L811-G813 VanDerWaalsContact C-N 3.28Å; L811-G813 PolarHBondContact O-N 2.97Å; G813-I815 PolarHBondContact O-N 2.95Å; G813-L816 WeakPolarHBondContact O-CB 3.48Å; G813-L816 PolarHBondContact O-N 3.2Å; G813-E817 PolarHBondContact O-N 3.04Å
814S70.5Confident75.1Confident61 Ų6143.4 Ų43.443%0.42724%0.24SC..Hα-helixtrans-64-41.6-178.8-53.90000112.4L811 L816 V818L811-S814 PolarHBondContact O-N 3.31Å; L811-S814 VanDerWaalsContact O-N 3.15Å; S814-L816 VanDerWaalsContact C-N 3.33Å; S814-V818 PolarHBondContact O-N 2.62Å
815I76.2Confident75.2Confident7 Ų747.4 Ų47.44%0.03626%0.259CS..Hα-helixtrans-68.7-37.8175.9-61.6-176.8000109.8V792 L811 G813 E817 V818 T819 I833 F834 M837V792-I815 HydrophobicContact CG1-CD1 3.92Å; V792-I815 HydrophobicContact CG1-CG1 3.93Å; L811-I815 HydrophobicContact CB-CD1 4.32Å; L811-I815 WeakPolarHBondContact O-CG1 3.23Å; L811-I815 PolarHBondContact O-N 3.08Å; G813-I815 PolarHBondContact O-N 2.95Å; I815-E817 PolarHBondContact O-N 3.12Å; I815-V818 WeakPolarHBondContact O-CB 3.42Å; I815-V818 PolarHBondContact O-N 3Å; I815-V818 VanDerWaalsContact O-N 3.14Å; I815-T819 HydrophobicContact CG2-CG2 4.05Å; I815-T819 WeakPolarHBondContact O-CG2 3.43Å; I815-T819 PolarHBondContact O-N 2.67Å; I815-I833 HydrophobicContact CD1-CB 4.5Å; I815-I833 HydrophobicContact CD1-CD1 4.47Å; I815-I833 HydrophobicContact CD1-CG2 3.67Å; I815-F834 HydrophobicContact CB-CE1 4.03Å; I815-F834 HydrophobicContact CB-CZ 4.1Å; I815-F834 HydrophobicContact CG2-CE1 3.84Å; I815-F834 HydrophobicContact CG2-CE2 4.29Å; I815-F834 HydrophobicContact CG2-CZ 3.66Å; I815-M837 HydrophobicContact CD1-CE 3.51Å
816L83Confident75.1Confident0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-62.2-42.5178.4-170.359.7000111.7V812 G813 S814 V818 T819 L820 F834 F874 K877 L878 L881 Y891V812-L816 WeakPolarHBondContact O-CB 3.18Å; V812-L816 PolarHBondContact O-N 3.48Å; G813-L816 WeakPolarHBondContact O-CB 3.48Å; G813-L816 PolarHBondContact O-N 3.2Å; S814-L816 VanDerWaalsContact C-N 3.33Å; L816-V818 VanDerWaalsContact C-N 3.28Å; L816-V818 PolarHBondContact O-N 2.69Å; L816-T819 PolarHBondContact O-N 3.19Å; L816-T819 VanDerWaalsContact O-N 3.09Å; L816-T819 PolarHBondContact O-OG1 3.18Å; L816-L820 HydrophobicContact CD1-CD1 4.48Å; L816-L820 HydrophobicContact CD1-CG 4.36Å; L816-L820 HydrophobicContact CG-CD1 4.05Å; L816-L820 HydrophobicContact CG-CG 4.39Å; L816-L820 VanDerWaalsContact O-CG 3.27Å; L816-L820 WeakPolarHBondContact O-CG 3.25Å; L816-L820 PolarHBondContact O-N 2.87Å; L816-F834 HydrophobicContact CB-CZ 3.96Å; L816-F834 HydrophobicContact CD1-CE2 4.17Å; L816-F834 HydrophobicContact CD1-CZ 3.97Å; L816-F874 HydrophobicContact CD1-CE2 3.84Å; L816-F874 HydrophobicContact CD1-CZ 3.76Å; L816-K877 HydrophobicContact CD2-CB 3.95Å; L816-L878 HydrophobicContact CD1-CD1 4.03Å; L816-L878 HydrophobicContact CD2-CB 3.87Å; L816-L878 HydrophobicContact CD2-CD1 3.94Å; L816-L878 HydrophobicContact CG-CD1 4.39Å; L816-L881 HydrophobicContact CB-CD1 3.94Å; L816-L881 HydrophobicContact CD2-CD1 3.91Å; L816-L881 HydrophobicContact CG-CD1 3.78Å; L816-Y891 VanDerWaalsContact CD1-OH 3.26Å; L816-Y891 WeakPolarHBondContact CD1-OH 3.49Å
817E75.3Confident75.8Confident114 Ų11439.4 Ų39.453%0.53322%0.22SC..Hα-helixtrans-52.7-45.7171.9-74.8178.9-166.400112.2G813 I815 L820 L881G813-E817 PolarHBondContact O-N 3.04Å; I815-E817 PolarHBondContact O-N 3.12Å; E817-L820 PolarHBondContact O-N 3.44Å; E817-L881 HydrophobicContact CG-CD1 3.7Å; E817-L881 HydrophobicContact CG-CD2 3.53Å; E817-L881 HydrophobicContact CG-CG 4.28Å
818V72.9Confident76.5Confident40 Ų4041.4 Ų41.424%0.24223%0.228CC..Hα-helixtrans-65.6-41.9177.7179.50000111.2S814 I815 L816 L820 I821 V826 T830S814-V818 PolarHBondContact O-N 2.62Å; I815-V818 WeakPolarHBondContact O-CB 3.42Å; I815-V818 PolarHBondContact O-N 3Å; I815-V818 VanDerWaalsContact O-N 3.14Å; L816-V818 VanDerWaalsContact C-N 3.28Å; L816-V818 PolarHBondContact O-N 2.69Å; V818-L820 VanDerWaalsContact C-N 3.31Å; V818-L820 PolarHBondContact O-N 3.05Å; V818-I821 WeakPolarHBondContact O-CB 3.29Å; V818-I821 WeakPolarHBondContact O-CG1 3.44Å; V818-I821 PolarHBondContact O-N 3.07Å; V818-V826 HydrophobicContact CG1-CG1 3.55Å; V818-T830 HydrophobicContact CG1-CG2 4Å
819T81.1Confident76.4Confident0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-70.3-28.3-17875.40000112.6I815 L816 I821 R827 T830 I831 F834 Y891I815-T819 HydrophobicContact CG2-CG2 4.05Å; I815-T819 WeakPolarHBondContact O-CG2 3.43Å; I815-T819 PolarHBondContact O-N 2.67Å; L816-T819 PolarHBondContact O-N 3.19Å; L816-T819 VanDerWaalsContact O-N 3.09Å; L816-T819 PolarHBondContact O-OG1 3.18Å; T819-I821 VanDerWaalsContact C-N 3.26Å; T819-I821 PolarHBondContact O-N 2.89Å; T819-R827 WeakPolarHBondContact O-CG 3.23Å; T819-R827 PolarHBondContact O-NE 3.1Å; T819-T830 WeakPolarHBondContact CG2-OG1 3.39Å; T819-I831 HydrophobicContact CG2-CG1 4.31Å; T819-F834 HydrophobicContact CG2-CE2 3.5Å; T819-F834 HydrophobicContact CG2-CZ 3.95Å; T819-Y891 VanDerWaalsContact O-CD2 3.32Å; T819-Y891 WeakPolarHBondContact O-CD2 3.29Å; T819-Y891 VanDerWaalsContact O-CE2 3.29Å; T819-Y891 WeakPolarHBondContact O-CE2 3.47Å; T819-Y891 WeakPolarHBondContact OG1-CE2 3.46Å; T819-Y891 PolarHBondContact OG1-OH 2.76Å
820L81.5Confident76.9Confident5 Ų540.7 Ų40.73%0.02622%0.222CC..Hα-helixtrans-75.5-15.4179.7-69.3170.6000112.8L816 E817 V818 R827 L881 Y891L816-L820 HydrophobicContact CD1-CD1 4.48Å; L816-L820 HydrophobicContact CD1-CG 4.36Å; L816-L820 HydrophobicContact CG-CD1 4.05Å; L816-L820 HydrophobicContact CG-CG 4.39Å; L816-L820 VanDerWaalsContact O-CG 3.27Å; L816-L820 WeakPolarHBondContact O-CG 3.25Å; L816-L820 PolarHBondContact O-N 2.87Å; E817-L820 PolarHBondContact O-N 3.44Å; V818-L820 VanDerWaalsContact C-N 3.31Å; V818-L820 PolarHBondContact O-N 3.05Å; L820-R827 PolarHBondContact O-NH2 2.88Å; L820-L881 HydrophobicContact CD1-CB 3.53Å; L820-L881 HydrophobicContact CD1-CD1 3.81Å; L820-L881 HydrophobicContact CD1-CG 4.29Å; L820-Y891 HydrophobicContact CD2-CD1 3.72Å; L820-Y891 HydrophobicContact CD2-CD2 4.22Å; L820-Y891 HydrophobicContact CD2-CE1 3.63Å; L820-Y891 HydrophobicContact CD2-CE2 4.13Å; L820-Y891 HydrophobicContact CD2-CG 4.02Å
821I75.9Confident77.8Confident57 Ų5737.2 Ų37.229%0.29220%0.198SC..SBendtrans-58.3132.6172.6-59.1174.6000109.3V818 T819 V823 R827V818-I821 WeakPolarHBondContact O-CB 3.29Å; V818-I821 WeakPolarHBondContact O-CG1 3.44Å; V818-I821 PolarHBondContact O-N 3.07Å; T819-I821 VanDerWaalsContact C-N 3.26Å; T819-I821 PolarHBondContact O-N 2.89Å; I821-V823 HydrophobicContact CG2-CB 4.43Å; I821-V823 HydrophobicContact CG2-CG2 3.95Å; I821-V823 PolarHBondContact O-N 2.91Å; I821-R827 PolarHBondContact O-NE 2.87Å; I821-R827 PolarHBondContact O-NH2 3.46Å
822P77.8Confident78.7Confident102 Ų10238.1 Ų38.166%0.66220%0.204SC*.SBendtrans-76.554.7-177.333.2-37000113.3
823V75.5Confident78.8Confident40 Ų4038.1 Ų38.124%0.24220%0.204CC..  trans-125.3111.3173.9179.30000108.6I821 E825 V826 R827I821-V823 HydrophobicContact CG2-CB 4.43Å; I821-V823 HydrophobicContact CG2-CG2 3.95Å; I821-V823 PolarHBondContact O-N 2.91Å; V823-E825 VanDerWaalsContact C-N 3.35Å; V823-E825 PolarHBondContact O-N 3.4Å; V823-V826 HydrophobicContact CB-CB 4.19Å; V823-V826 HydrophobicContact CB-CG2 4.06Å; V823-V826 HydrophobicContact CG1-CB 4.22Å; V823-V826 HydrophobicContact CG1-CG2 3.75Å; V823-V826 PolarHBondContact O-N 2.8Å; V823-R827 PolarHBondContact O-N 2.96Å; V823-R827 VanDerWaalsContact O-N 3.07Å
824E77.2Confident79.7Confident109 Ų10937.9 Ų37.951%0.50920%0.202SC..Hα-helixtrans-61.7-39.4-171.3-163.7-174.5148.900113.2V826 R827 K828E824-V826 PolarHBondContact O-N 3.42Å; E824-R827 WeakPolarHBondContact O-CB 3.42Å; E824-R827 PolarHBondContact O-N 3.18Å; E824-K828 HydrophobicContact CG-CD 4.46Å; E824-K828 WeakPolarHBondContact O-CG 3.18Å; E824-K828 PolarHBondContact O-N 3.17Å; E824-K828 WeakPolarHBondContact OE1-CE 3.34Å; E824-K828 IonicContact OE1-NZ 2.93Å; E824-K828 PolarHBondContact OE1-NZ 3.4Å
825E74.5Confident80.7Confident103 Ų10336 Ų3648%0.48119%0.186SC..Hα-helixtrans-66.3-38178.6-65.9-56.7117.400112.2V823 K828 L829V823-E825 VanDerWaalsContact C-N 3.35Å; V823-E825 PolarHBondContact O-N 3.4Å; E825-K828 PolarHBondContact O-N 2.59Å; E825-K828 IonicContact OE1-NZ 3.12Å; E825-K828 PolarHBondContact OE1-NZ 3.02Å; E825-L829 WeakPolarHBondContact O-CD1 3.35Å; E825-L829 VanDerWaalsContact O-CG 3.23Å; E825-L829 WeakPolarHBondContact O-CG 3.4Å; E825-L829 PolarHBondContact O-N 3.17Å; E825-L829 VanDerWaalsContact O-N 3.13Å
826V73Confident81.2Confident5 Ų537.2 Ų37.23%0.0319%0.193CC..Hα-helixtrans-65.6-44.1174.6174.80000110.5L785 V818 V823 E824 L829 T830L785-V826 HydrophobicContact CG-CG2 4.29Å; V818-V826 HydrophobicContact CG1-CG1 3.55Å; V823-V826 HydrophobicContact CB-CB 4.19Å; V823-V826 HydrophobicContact CB-CG2 4.06Å; V823-V826 HydrophobicContact CG1-CB 4.22Å; V823-V826 HydrophobicContact CG1-CG2 3.75Å; V823-V826 PolarHBondContact O-N 2.8Å; E824-V826 PolarHBondContact O-N 3.42Å; V826-L829 PolarHBondContact O-N 3.17Å; V826-T830 HydrophobicContact CG1-CG2 4.34Å; V826-T830 WeakPolarHBondContact O-CB 3.37Å; V826-T830 WeakPolarHBondContact O-CG2 3.43Å; V826-T830 PolarHBondContact O-N 2.9Å; V826-T830 PolarHBondContact O-OG1 3.41Å
827R84.3Confident81.5Confident9 Ų937.2 Ų37.23%0.03419%0.193CC..Hα-helixtrans-56.6-50.2174.9-74.3169.6-177.6-168.3-6.5111.8T819 L820 I821 V823 E824 L829 T830 I831 D888 Y891 T894T819-R827 WeakPolarHBondContact O-CG 3.23Å; T819-R827 PolarHBondContact O-NE 3.1Å; L820-R827 PolarHBondContact O-NH2 2.88Å; I821-R827 PolarHBondContact O-NE 2.87Å; I821-R827 PolarHBondContact O-NH2 3.46Å; V823-R827 PolarHBondContact O-N 2.96Å; V823-R827 VanDerWaalsContact O-N 3.07Å; E824-R827 WeakPolarHBondContact O-CB 3.42Å; E824-R827 PolarHBondContact O-N 3.18Å; R827-L829 VanDerWaalsContact C-N 3.26Å; R827-L829 PolarHBondContact O-N 3.08Å; R827-T830 PolarHBondContact O-N 2.68Å; R827-I831 HydrophobicContact CB-CD1 3.9Å; R827-I831 VanDerWaalsContact O-CB 3.32Å; R827-I831 WeakPolarHBondContact O-CB 3.44Å; R827-I831 WeakPolarHBondContact O-CD1 3.48Å; R827-I831 WeakPolarHBondContact O-CG1 3.4Å; R827-I831 PolarHBondContact O-N 2.71Å; R827-D888 IonicContact CZ-OD1 2.78Å; R827-D888 VanDerWaalsContact CZ-OD1 3.27Å; R827-D888 IonicContact NH1-OD1 2.79Å; R827-D888 PolarHBondContact NH1-OD1 2.79Å; R827-D888 IonicContact NH1-OD2 2.76Å; R827-D888 IonicContact NH2-OD1 3.12Å; R827-D888 PolarHBondContact NH2-OD1 3.05Å; R827-D888 IonicContact NH2-OD2 2.89Å; R827-Y891 HydrophobicContact CG-CD2 4.39Å; R827-T894 HydrophobicContact CB-CG2 4.25Å
828K82.9Confident82.1Confident72 Ų7231.8 Ų31.831%0.31317%0.167SC..Hα-helixtrans-59.8-34.7178.6-73.3170.7-176158.20113E824 E825 P832 L898E824-K828 HydrophobicContact CG-CD 4.46Å; E824-K828 WeakPolarHBondContact O-CG 3.18Å; E824-K828 PolarHBondContact O-N 3.17Å; E824-K828 WeakPolarHBondContact OE1-CE 3.34Å; E824-K828 IonicContact OE1-NZ 2.93Å; E824-K828 PolarHBondContact OE1-NZ 3.4Å; E825-K828 PolarHBondContact O-N 2.59Å; E825-K828 IonicContact OE1-NZ 3.12Å; E825-K828 PolarHBondContact OE1-NZ 3.02Å; K828-P832 VanDerWaalsContact O-CD 3.23Å; K828-P832 WeakPolarHBondContact O-CD 3.35Å; K828-P832 WeakPolarHBondContact O-CG 3.4Å; K828-L898 HydrophobicContact CG-CD1 4.45Å
829L77.1Confident82.8Confident43 Ų4330.8 Ų30.823%0.22516%0.161CC..Hα-helixtrans-78.4-34.3-179.1-72.1170.3000113.5L785 R793 E825 V826 R827L785-L829 HydrophobicContact CD2-CD1 3.93Å; R793-L829 PolarHBondContact NH1-O 3.42Å; R793-L829 VanDerWaalsContact NH1-O 3.13Å; E825-L829 WeakPolarHBondContact O-CD1 3.35Å; E825-L829 VanDerWaalsContact O-CG 3.23Å; E825-L829 WeakPolarHBondContact O-CG 3.4Å; E825-L829 PolarHBondContact O-N 3.17Å; E825-L829 VanDerWaalsContact O-N 3.13Å; V826-L829 PolarHBondContact O-N 3.17Å; R827-L829 VanDerWaalsContact C-N 3.26Å; R827-L829 PolarHBondContact O-N 3.08Å
830T80.6Confident82.9Confident1 Ų130.9 Ų30.91%0.00616%0.161CC..Hα-helixtrans-99.4-36.2-169.351.60000114V818 T819 V826 R827 P832 I833V818-T830 HydrophobicContact CG1-CG2 4Å; T819-T830 WeakPolarHBondContact CG2-OG1 3.39Å; V826-T830 HydrophobicContact CG1-CG2 4.34Å; V826-T830 WeakPolarHBondContact O-CB 3.37Å; V826-T830 WeakPolarHBondContact O-CG2 3.43Å; V826-T830 PolarHBondContact O-N 2.9Å; V826-T830 PolarHBondContact O-OG1 3.41Å; R827-T830 PolarHBondContact O-N 2.68Å; T830-P832 VanDerWaalsContact C-CD 3.41Å; T830-P832 VanDerWaalsContact C-N 3.31Å; T830-I833 VanDerWaalsContact O-CB 3.23Å; T830-I833 WeakPolarHBondContact O-CB 3.32Å; T830-I833 WeakPolarHBondContact O-CG1 3.4Å; T830-I833 PolarHBondContact O-N 3.38Å
831I88.3Confident83.1Confident0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-53.9-40178-69.8165.6000112.9T819 R827 I833 F834 Y891 T894 F895 L898 M899T819-I831 HydrophobicContact CG2-CG1 4.31Å; R827-I831 HydrophobicContact CB-CD1 3.9Å; R827-I831 VanDerWaalsContact O-CB 3.32Å; R827-I831 WeakPolarHBondContact O-CB 3.44Å; R827-I831 WeakPolarHBondContact O-CD1 3.48Å; R827-I831 WeakPolarHBondContact O-CG1 3.4Å; R827-I831 PolarHBondContact O-N 2.71Å; I831-I833 PolarHBondContact O-N 3.43Å; I831-F834 WeakPolarHBondContact O-CB 3.44Å; I831-F834 PolarHBondContact O-N 3.23Å; I831-Y891 HydrophobicContact CD1-CE2 4.25Å; I831-T894 HydrophobicContact CD1-CG2 4Å; I831-F895 HydrophobicContact CD1-CB 4.46Å; I831-F895 HydrophobicContact CG1-CD2 4.37Å; I831-F895 HydrophobicContact CG2-CD2 4Å; I831-F895 HydrophobicContact CG2-CE2 4.44Å; I831-L898 HydrophobicContact CB-CD1 4.08Å; I831-L898 HydrophobicContact CD1-CD1 3.99Å; I831-L898 HydrophobicContact CG2-CB 3.99Å; I831-L898 HydrophobicContact CG2-CD1 4.15Å; I831-M899 HydrophobicContact CG2-CG 4.08Å; I831-M899 HydrophobicContact CG2-SD 4.18Å
832P89.6Confident83.5Confident27 Ų2728.6 Ų28.618%0.17515%0.149CC..Hα-helixtrans-59.6-17.6176.3-26.236000115.1K828 T830 F834 F835 D836 L902K828-P832 VanDerWaalsContact O-CD 3.23Å; K828-P832 WeakPolarHBondContact O-CD 3.35Å; K828-P832 WeakPolarHBondContact O-CG 3.4Å; T830-P832 VanDerWaalsContact C-CD 3.41Å; T830-P832 VanDerWaalsContact C-N 3.31Å; P832-F834 VanDerWaalsContact C-N 3.34Å; P832-F835 WeakPolarHBondContact O-CB 3.12Å; P832-F835 PolarHBondContact O-N 3.04Å; P832-D836 PolarHBondContact O-N 3.41Å; P832-D836 VanDerWaalsContact O-N 3.17Å; P832-L902 HydrophobicContact CB-CD1 3.9Å; P832-L902 HydrophobicContact CG-CD1 4.23Å
833I86.1Confident83.5Confident0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-67.6-37.2175.7-59.3175.4000110.4V792 W796 F797 I815 T830 I831 F835 D836 M837V792-I833 HydrophobicContact CG1-CD1 3.63Å; W796-I833 HydrophobicContact CD2-CG2 3.85Å; W796-I833 HydrophobicContact CG-CG2 3.77Å; F797-I833 HydrophobicContact CE2-CG1 4.12Å; I815-I833 HydrophobicContact CD1-CB 4.5Å; I815-I833 HydrophobicContact CD1-CD1 4.47Å; I815-I833 HydrophobicContact CD1-CG2 3.67Å; T830-I833 VanDerWaalsContact O-CB 3.23Å; T830-I833 WeakPolarHBondContact O-CB 3.32Å; T830-I833 WeakPolarHBondContact O-CG1 3.4Å; T830-I833 PolarHBondContact O-N 3.38Å; I831-I833 PolarHBondContact O-N 3.43Å; I833-F835 VanDerWaalsContact C-N 3.28Å; I833-F835 PolarHBondContact O-N 2.95Å; I833-D836 CarbonylContact O-C 3.49Å; I833-D836 PolarHBondContact O-N 2.89Å; I833-D836 VanDerWaalsContact O-N 3.07Å; I833-M837 HydrophobicContact CG2-CE 4.07Å; I833-M837 HydrophobicContact CG2-CG 4.37Å; I833-M837 HydrophobicContact CG2-SD 4.41Å; I833-M837 WeakPolarHBondContact O-CG 3.35Å; I833-M837 PolarHBondContact O-N 2.8Å
834F91.2Very high83.6Confident0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-63.1-35.8175.2-63.9-48.8000112.6I815 L816 T819 I831 P832 M837 M838 F870 F874 F895 M899I815-F834 HydrophobicContact CB-CE1 4.03Å; I815-F834 HydrophobicContact CB-CZ 4.1Å; I815-F834 HydrophobicContact CG2-CE1 3.84Å; I815-F834 HydrophobicContact CG2-CE2 4.29Å; I815-F834 HydrophobicContact CG2-CZ 3.66Å; L816-F834 HydrophobicContact CB-CZ 3.96Å; L816-F834 HydrophobicContact CD1-CE2 4.17Å; L816-F834 HydrophobicContact CD1-CZ 3.97Å; T819-F834 HydrophobicContact CG2-CE2 3.5Å; T819-F834 HydrophobicContact CG2-CZ 3.95Å; I831-F834 WeakPolarHBondContact O-CB 3.44Å; I831-F834 PolarHBondContact O-N 3.23Å; P832-F834 VanDerWaalsContact C-N 3.34Å; F834-M837 HydrophobicContact CD1-SD 3.9Å; F834-M837 HydrophobicContact CE1-SD 4.44Å; F834-M837 PolarHBondContact O-N 3.01Å; F834-M838 WeakPolarHBondContact O-CB 3.14Å; F834-M838 PolarHBondContact O-N 3.36Å; F834-F870 HydrophobicContact CB-CE2 4.18Å; F834-F870 HydrophobicContact CB-CZ 3.87Å; F834-F870 AromaticContact CD1-CE2 3.86Å; F834-F870 HydrophobicContact CD1-CE2 3.86Å; F834-F870 HydrophobicContact CD1-CZ 4.22Å; F834-F870 HydrophobicContact CG-CE2 4.43Å; F834-F870 HydrophobicContact CG-CZ 4.37Å; F834-F874 AromaticContact CD1-CD2 3.95Å; F834-F874 HydrophobicContact CD1-CD2 3.95Å; F834-F874 AromaticContact CD1-CE2 3.79Å; F834-F874 HydrophobicContact CD1-CE2 3.79Å; F834-F874 AromaticContact CD2-CE2 3.75Å; F834-F874 HydrophobicContact CD2-CE2 3.75Å; F834-F874 AromaticContact CE1-CD2 3.98Å; F834-F874 HydrophobicContact CE1-CD2 3.98Å; F834-F874 AromaticContact CE1-CE2 3.74Å; F834-F874 HydrophobicContact CE1-CE2 3.74Å; F834-F874 AromaticContact CE2-CE2 3.7Å; F834-F874 HydrophobicContact CE2-CE2 3.7Å; F834-F874 HydrophobicContact CE2-CZ 4.43Å; F834-F874 HydrophobicContact CG-CD2 4.3Å; F834-F874 AromaticContact CG-CE2 3.78Å; F834-F874 HydrophobicContact CG-CE2 3.78Å; F834-F874 HydrophobicContact CZ-CD2 4.35Å; F834-F874 AromaticContact CZ-CE2 3.69Å; F834-F874 HydrophobicContact CZ-CE2 3.69Å; F834-F895 AromaticContact CD2-CE2 3.98Å; F834-F895 HydrophobicContact CD2-CE2 3.98Å; F834-M899 HydrophobicContact CB-SD 4.38Å
835F90.2Very high83.4Confident23 Ų2327.1 Ų27.110%0.10113%0.125CC..Hα-helixtrans-63.1-44.1171.4178.7-102.3000111.2P832 I833 M838 V839 M899 L902 C903 H906P832-F835 WeakPolarHBondContact O-CB 3.12Å; P832-F835 PolarHBondContact O-N 3.04Å; I833-F835 VanDerWaalsContact C-N 3.28Å; I833-F835 PolarHBondContact O-N 2.95Å; F835-M838 HydrophobicContact CD2-CE 3.47Å; F835-M838 VanDerWaalsContact CD2-CE 3.47Å; F835-M838 HydrophobicContact CE2-CE 3.72Å; F835-M838 WeakPolarHBondContact O-CB 3.48Å; F835-M838 PolarHBondContact O-N 3.13Å; F835-V839 HydrophobicContact CD1-CG2 3.96Å; F835-V839 HydrophobicContact CE1-CG2 3.6Å; F835-V839 HydrophobicContact CE2-CG2 4.23Å; F835-V839 HydrophobicContact CG-CG2 4.44Å; F835-V839 HydrophobicContact CZ-CG2 3.74Å; F835-V839 WeakPolarHBondContact O-CG2 3.47Å; F835-V839 PolarHBondContact O-N 3.12Å; F835-M899 HydrophobicContact CB-CE 4.2Å; F835-M899 HydrophobicContact CB-SD 3.96Å; F835-L902 HydrophobicContact CB-CB 4.23Å; F835-L902 HydrophobicContact CB-CD1 3.71Å; F835-L902 HydrophobicContact CD1-CB 3.9Å; F835-L902 HydrophobicContact CD1-CD1 4.27Å; F835-L902 HydrophobicContact CD1-CD2 4.45Å; F835-L902 HydrophobicContact CD1-CG 4.43Å; F835-L902 HydrophobicContact CD2-CB 3.65Å; F835-L902 HydrophobicContact CE1-CB 4.15Å; F835-L902 HydrophobicContact CE2-CB 3.95Å; F835-L902 HydrophobicContact CG-CB 3.64Å; F835-L902 HydrophobicContact CG-CD1 3.98Å; F835-L902 HydrophobicContact CG-CG 4.34Å; F835-L902 HydrophobicContact CZ-CB 4.18Å; F835-C903 HydrophobicContact CE2-CB 4.47Å; F835-H906 HydrophobicContact CZ-CB 4.17Å
836D87.9Confident83Confident32 Ų3224 Ų2417%0.17112%0.117CC..Hα-helixtrans-67.3-34.1177.9-16579.5000113W796 F797 K804 P832 I833 V839 T840W796-D836 PolarHBondContact NE1-OD2 2.81Å; F797-D836 HydrophobicContact CE1-CB 4.09Å; F797-D836 HydrophobicContact CZ-CB 4.24Å; K804-D836 WeakPolarHBondContact CE-OD2 3.09Å; K804-D836 IonicContact NZ-OD1 3.24Å; K804-D836 IonicContact NZ-OD2 3.28Å; K804-D836 PolarHBondContact NZ-OD2 2.94Å; P832-D836 PolarHBondContact O-N 3.41Å; P832-D836 VanDerWaalsContact O-N 3.17Å; I833-D836 CarbonylContact O-C 3.49Å; I833-D836 PolarHBondContact O-N 2.89Å; I833-D836 VanDerWaalsContact O-N 3.07Å; D836-V839 PolarHBondContact O-N 3.34Å; D836-T840 WeakPolarHBondContact O-CB 2.82Å; D836-T840 PolarHBondContact O-N 3.29Å; D836-T840 PolarHBondContact O-OG1 2.87Å
837M89.2Confident82.2Confident0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-60.6-47.6170.5-71175.6161.800111.2W796 I808 L811 V812 I815 I833 F834 V839 T840 E841 F870W796-M837 HydrophobicContact CE3-CE 4.1Å; W796-M837 HydrophobicContact CH2-CE 3.68Å; W796-M837 HydrophobicContact CH2-CG 3.53Å; W796-M837 HydrophobicContact CH2-SD 4.5Å; W796-M837 HydrophobicContact CZ2-CB 4.26Å; W796-M837 HydrophobicContact CZ2-CE 4.14Å; W796-M837 HydrophobicContact CZ2-CG 3.32Å; W796-M837 HydrophobicContact CZ3-CE 3.65Å; W796-M837 HydrophobicContact CZ3-CG 4.43Å; I808-M837 HydrophobicContact CD1-CB 4.12Å; I808-M837 WeakPolarHBondContact CD1-O 3.48Å; I808-M837 HydrophobicContact CG1-CB 4.1Å; I808-M837 HydrophobicContact CG1-CG 4.02Å; L811-M837 HydrophobicContact CB-CE 3.99Å; V812-M837 HydrophobicContact CG2-CE 4.35Å; V812-M837 HydrophobicContact CG2-SD 3.67Å; I815-M837 HydrophobicContact CD1-CE 3.51Å; I833-M837 HydrophobicContact CG2-CE 4.07Å; I833-M837 HydrophobicContact CG2-CG 4.37Å; I833-M837 HydrophobicContact CG2-SD 4.41Å; I833-M837 WeakPolarHBondContact O-CG 3.35Å; I833-M837 PolarHBondContact O-N 2.8Å; F834-M837 HydrophobicContact CD1-SD 3.9Å; F834-M837 HydrophobicContact CE1-SD 4.44Å; F834-M837 PolarHBondContact O-N 3.01Å; M837-V839 VanDerWaalsContact C-N 3.35Å; M837-V839 PolarHBondContact O-N 2.97Å; M837-T840 WeakPolarHBondContact O-CB 3.16Å; M837-T840 PolarHBondContact O-N 3.34Å; M837-E841 PolarHBondContact O-N 3.42Å; M837-F870 HydrophobicContact CB-CD2 3.75Å; M837-F870 HydrophobicContact CB-CE2 3.97Å; M837-F870 HydrophobicContact CB-CG 4.49Å; M837-F870 HydrophobicContact SD-CD2 4.25Å; M837-F870 HydrophobicContact SD-CE2 4.08Å
838M87.1Confident80.7Confident0 Ų029.5 Ų29.50%016%0.161CC..Hα-helixtrans-63-40.7176.6176.7178.673.700112.1F834 F835 F842 V867 F870 M899 L910 G914F834-M838 WeakPolarHBondContact O-CB 3.14Å; F834-M838 PolarHBondContact O-N 3.36Å; F835-M838 HydrophobicContact CD2-CE 3.47Å; F835-M838 VanDerWaalsContact CD2-CE 3.47Å; F835-M838 HydrophobicContact CE2-CE 3.72Å; F835-M838 WeakPolarHBondContact O-CB 3.48Å; F835-M838 PolarHBondContact O-N 3.13Å; M838-F842 VanDerWaalsContact O-CB 3.23Å; M838-F842 WeakPolarHBondContact O-CB 3.44Å; M838-F842 PolarHBondContact O-N 3.29Å; M838-V867 HydrophobicContact CB-CG1 3.95Å; M838-V867 HydrophobicContact CG-CB 4.3Å; M838-V867 HydrophobicContact CG-CG1 3.53Å; M838-V867 HydrophobicContact CG-CG2 3.94Å; M838-F870 HydrophobicContact CB-CD1 4.17Å; M838-F870 HydrophobicContact CB-CE1 4.26Å; M838-M899 HydrophobicContact CE-CE 4.42Å; M838-L910 HydrophobicContact CE-CD1 4.24Å; M838-L910 HydrophobicContact CG-CD1 4.06Å; M838-G914 WeakPolarHBondContact SD-CA 3.23Å
839V87.1Confident79.1Confident18 Ų1829.5 Ų29.511%0.10917%0.167CC..Hα-helixtrans-61.5-44.3173.6171.40000110.8F835 D836 M837 F842 Y843 L910F835-V839 HydrophobicContact CD1-CG2 3.96Å; F835-V839 HydrophobicContact CE1-CG2 3.6Å; F835-V839 HydrophobicContact CE2-CG2 4.23Å; F835-V839 HydrophobicContact CG-CG2 4.44Å; F835-V839 HydrophobicContact CZ-CG2 3.74Å; F835-V839 WeakPolarHBondContact O-CG2 3.47Å; F835-V839 PolarHBondContact O-N 3.12Å; D836-V839 PolarHBondContact O-N 3.34Å; M837-V839 VanDerWaalsContact C-N 3.35Å; M837-V839 PolarHBondContact O-N 2.97Å; V839-F842 PolarHBondContact O-N 3.08Å; V839-Y843 HydrophobicContact CG1-CD2 3.51Å; V839-Y843 HydrophobicContact CG1-CE2 3.51Å; V839-Y843 VanDerWaalsContact O-CD2 3.24Å; V839-Y843 WeakPolarHBondContact O-CD2 3.28Å; V839-Y843 PolarHBondContact O-N 3.03Å; V839-L910 HydrophobicContact CB-CD2 4.22Å; V839-L910 HydrophobicContact CG2-CD2 3.54Å
840T84.6Confident77.7Confident2 Ų234.4 Ų34.41%0.01219%0.192CC..Hα-helixtrans-60-52.4-179.3-63.60000111.1L801 K804 N805 I808 D836 M837 F842 Y843 L844L801-T840 HydrophobicContact CD1-CG2 3.89Å; L801-T840 HydrophobicContact CG-CG2 4.25Å; L801-T840 WeakPolarHBondContact O-CG2 3.43Å; K804-T840 HydrophobicContact CB-CG2 3.66Å; N805-T840 HydrophobicContact CB-CG2 4.2Å; I808-T840 HydrophobicContact CD1-CG2 4.28Å; D836-T840 WeakPolarHBondContact O-CB 2.82Å; D836-T840 PolarHBondContact O-N 3.29Å; D836-T840 PolarHBondContact O-OG1 2.87Å; M837-T840 WeakPolarHBondContact O-CB 3.16Å; M837-T840 PolarHBondContact O-N 3.34Å; T840-F842 PolarHBondContact O-N 3.49Å; T840-Y843 PolarHBondContact O-N 3.27Å; T840-L844 HydrophobicContact CG2-CD1 4.16Å; T840-L844 PolarHBondContact O-N 3.37Å; T840-L844 VanDerWaalsContact O-N 3.16Å
841E84.8Confident76.1Confident1 Ų140.5 Ų40.51%0.00523%0.229CC..Hα-helixtrans-62.6-44.1179.5-166.8-176.4160.800111I808 M837 Y843 L844 R845 V867 V868 E869 F870I808-E841 HydrophobicContact CD1-CB 4.43Å; M837-E841 PolarHBondContact O-N 3.42Å; E841-Y843 PolarHBondContact O-N 3.33Å; E841-L844 PolarHBondContact O-N 2.91Å; E841-R845 PolarHBondContact O-N 3.22Å; E841-R845 IonicContact OE1-CZ 3.68Å; E841-R845 IonicContact OE1-NH1 3.77Å; E841-R845 PolarHBondContact OE1-NH1 2.82Å; E841-V867 HydrophobicContact CB-CG1 4.34Å; E841-V868 PolarHBondContact OE1-N 3Å; E841-V868 VanDerWaalsContact OE1-N 3.12Å; E841-E869 PolarHBondContact OE1-N 3.37Å; E841-F870 WeakPolarHBondContact OE2-CB 3.47Å; E841-F870 PolarHBondContact OE2-N 3.11Å
842F83.7Confident73.7Confident13 Ų1344.3 Ų44.36%0.05726%0.256CS..Hα-helixtrans-57.1-48.7179.5178.2-90.2000112.6M838 V839 T840 A846 Y863 A866 V867 P909 L910M838-F842 VanDerWaalsContact O-CB 3.23Å; M838-F842 WeakPolarHBondContact O-CB 3.44Å; M838-F842 PolarHBondContact O-N 3.29Å; V839-F842 PolarHBondContact O-N 3.08Å; T840-F842 PolarHBondContact O-N 3.49Å; F842-A846 VanDerWaalsContact O-CB 3.32Å; F842-A846 WeakPolarHBondContact O-CB 3.49Å; F842-A846 PolarHBondContact O-N 3.48Å; F842-Y863 HydrophobicContact CE2-CD1 4.05Å; F842-Y863 HydrophobicContact CE2-CE1 4.46Å; F842-Y863 HydrophobicContact CZ-CD1 4.35Å; F842-Y863 HydrophobicContact CZ-CE1 4.31Å; F842-A866 HydrophobicContact CD2-CB 3.6Å; F842-A866 HydrophobicContact CE2-CB 4.07Å; F842-V867 HydrophobicContact CB-CG2 4.47Å; F842-P909 HydrophobicContact CE2-CB 4.23Å; F842-P909 HydrophobicContact CZ-CB 3.9Å; F842-P909 HydrophobicContact CZ-CG 4.46Å; F842-L910 HydrophobicContact CB-CD1 3.83Å; F842-L910 HydrophobicContact CD1-CB 4.2Å; F842-L910 HydrophobicContact CD1-CD1 4.32Å; F842-L910 HydrophobicContact CD1-CD2 4.41Å; F842-L910 HydrophobicContact CD2-CB 4.32Å; F842-L910 HydrophobicContact CD2-CD1 3.82Å; F842-L910 HydrophobicContact CE1-CB 4.14Å; F842-L910 HydrophobicContact CE2-CB 4.24Å; F842-L910 HydrophobicContact CG-CB 4.32Å; F842-L910 HydrophobicContact CG-CD1 3.73Å; F842-L910 HydrophobicContact CG-CG 4.41Å; F842-L910 HydrophobicContact CZ-CB 4.18Å
843Y79.6Confident71Confident88 Ų8848.4 Ų48.435%0.34528%0.281SS..Hα-helixtrans-72-33.1-177.8-80.3-63.1000113.3V839 T840 E841 S847 H906V839-Y843 HydrophobicContact CG1-CD2 3.51Å; V839-Y843 HydrophobicContact CG1-CE2 3.51Å; V839-Y843 VanDerWaalsContact O-CD2 3.24Å; V839-Y843 WeakPolarHBondContact O-CD2 3.28Å; V839-Y843 PolarHBondContact O-N 3.03Å; T840-Y843 PolarHBondContact O-N 3.27Å; E841-Y843 PolarHBondContact O-N 3.33Å; Y843-S847 WeakPolarHBondContact O-CB 3.26Å; Y843-S847 PolarHBondContact O-N 3.29Å; Y843-S847 PolarHBondContact O-OG 3.42Å; Y843-H906 AromaticContact CE2-CE1 3.92Å; Y843-H906 AromaticContact CE2-NE2 3.99Å; Y843-H906 AromaticContact CZ-CE1 3.77Å; Y843-H906 PolarHBondContact OH-CE1 3.29Å; Y843-H906 PolarHBondContact OH-NE2 3.33Å
844L76.1Confident68.5Low41 Ų4154.8 Ų54.822%0.21532%0.322CS..Hα-helixtrans-68.2-44.1174.8-76172000111.7L801 I802 N805 T840 E841 A846 S847 A848L801-L844 HydrophobicContact CD2-CD2 3.69Å; L801-L844 HydrophobicContact CD2-CG 3.83Å; L801-L844 HydrophobicContact CG-CD1 4.32Å; L801-L844 HydrophobicContact CG-CD2 4.05Å; L801-L844 HydrophobicContact CG-CG 3.92Å; I802-L844 HydrophobicContact CG1-CD2 4.45Å; N805-L844 HydrophobicContact CB-CD1 3.24Å; N805-L844 VanDerWaalsContact CG-CD1 3.45Å; T840-L844 HydrophobicContact CG2-CD1 4.16Å; T840-L844 PolarHBondContact O-N 3.37Å; T840-L844 VanDerWaalsContact O-N 3.16Å; E841-L844 PolarHBondContact O-N 2.91Å; L844-A846 VanDerWaalsContact C-N 3.34Å; L844-A846 PolarHBondContact O-N 2.86Å; L844-S847 PolarHBondContact O-N 3.34Å; L844-A848 PolarHBondContact O-N 3.2Å
845R74Confident65.7Low92 Ų9260.3 Ų60.335%0.34736%0.356SS..Hα-helixtrans-66.1-36.6175.9-107.2168.2173.6100.98.2112.3E841 S847 T849 E869E841-R845 PolarHBondContact O-N 3.22Å; E841-R845 IonicContact OE1-CZ 3.68Å; E841-R845 IonicContact OE1-NH1 3.77Å; E841-R845 PolarHBondContact OE1-NH1 2.82Å; R845-S847 VanDerWaalsContact C-N 3.34Å; R845-T849 PolarHBondContact O-OG1 3.47Å; R845-T849 VanDerWaalsContact O-OG1 3.11Å; R845-E869 IonicContact CZ-OE1 3.43Å; R845-E869 VanDerWaalsContact CZ-OE1 3.32Å; R845-E869 VanDerWaalsContact NH1-CD 3.29Å; R845-E869 IonicContact NH1-OE1 2.74Å; R845-E869 PolarHBondContact NH1-OE1 3.18Å; R845-E869 IonicContact NH1-OE2 3.09Å; R845-E869 IonicContact NH2-OE1 3.9Å; R845-E869 PolarHBondContact NH2-OE1 3.17Å
846A65.5Low63.1Low37 Ų3764.9 Ų64.931%0.30639%0.386SS..Hα-helixtrans-63.5-39.2172.400000112.3F842 L844 T849F842-A846 VanDerWaalsContact O-CB 3.32Å; F842-A846 WeakPolarHBondContact O-CB 3.49Å; F842-A846 PolarHBondContact O-N 3.48Å; L844-A846 VanDerWaalsContact C-N 3.34Å; L844-A846 PolarHBondContact O-N 2.86Å; A846-T849 PolarHBondContact O-OG1 3.12Å
847S56.4Low60.3Low63 Ų6371.1 Ų71.144%0.44142%0.418SS..Hα-helixtrans-74.7-39.5-177.9-59.50000113.3Y843 L844 R845 T849 L850Y843-S847 WeakPolarHBondContact O-CB 3.26Å; Y843-S847 PolarHBondContact O-N 3.29Å; Y843-S847 PolarHBondContact O-OG 3.42Å; L844-S847 PolarHBondContact O-N 3.34Å; R845-S847 VanDerWaalsContact C-N 3.34Å; S847-T849 PolarHBondContact O-N 3.02Å; S847-L850 PolarHBondContact O-N 3.18Å
848A53.3Low57.6Low66 Ų6682.1 Ų82.155%0.54546%0.46SS..Hα-helixtrans-58.8-31179.600000112.8L844 L850L844-A848 PolarHBondContact O-N 3.2Å; A848-L850 PolarHBondContact O-N 3.42Å
849T49.3Very low55Low73 Ų7385.4 Ų85.445%0.44849%0.493SS..THydrogen-bonded Turntrans-73.6-19.2176.522.20000115R845 A846 S847 F861R845-T849 PolarHBondContact O-OG1 3.47Å; R845-T849 VanDerWaalsContact O-OG1 3.11Å; A846-T849 PolarHBondContact O-OG1 3.12Å; S847-T849 PolarHBondContact O-N 3.02Å; T849-F861 HydrophobicContact CG2-CD2 4.49Å; T849-F861 HydrophobicContact CG2-CE2 4.24Å
850L48.2Very low52.6Low145 Ų14592.2 Ų92.276%0.75953%0.529SS*.THydrogen-bonded Turntrans-77.8-19.8179.8-85.6156.4000113.7S847 A848S847-L850 PolarHBondContact O-N 3.18Å; A848-L850 PolarHBondContact O-N 3.42Å
851V47Very low50.3Low129 Ų12996.7 Ų96.778%0.78255%0.548SS*.SBendtrans-86.2-13.9-178.6-175.40000112T853V851-T853 PolarHBondContact O-N 3Å
852S37.5Very low48.3Very low81 Ų81100 Ų10057%0.56657%0.572SS**SBendtrans-97.376-173.3-53.40000112.4
853T32.6Very low46.5Very low113 Ų113105 Ų10569%0.69359%0.591SS**  trans55.1138.4171.743.60000117.6V851 V855V851-T853 PolarHBondContact O-N 3Å; T853-V855 PolarHBondContact O-N 3.41Å
854P33.2Very low45Very low134 Ų134109.4 Ų109.487%0.8761%0.607SS**  trans-77.965.1179.534-34000111V856P854-V856 PolarHBondContact O-N 3.03Å
855V33Very low44Very low116 Ų116110.7 Ų110.770%0.70362%0.62SS**  trans-79.8109.3160.5179.70000106.1T853 L857T853-V855 PolarHBondContact O-N 3.41Å; V855-L857 PolarHBondContact O-N 3.45Å; V855-L857 VanDerWaalsContact O-N 3.07Å
856V35Very low43.6Very low119 Ų119106.4 Ų106.472%0.72160%0.604SS**  trans-28.1111.3171.7177.60000111.2P854 R858P854-V856 PolarHBondContact O-N 3.03Å; V856-R858 PolarHBondContact O-N 3.28Å
857L29.4Very low44.1Very low163 Ų163104.7 Ų104.785%0.85359%0.589SS**SBendtrans-6359.8-178.1-72.3161.1000113.5V855V855-L857 PolarHBondContact O-N 3.45Å; V855-L857 VanDerWaalsContact O-N 3.07Å
858R31.5Very low45.1Very low231 Ų231104.3 Ų104.387%0.87258%0.584SS**  trans-115.810.5167.2-78.3-160.6-164.6-124.36.2113.3V856V856-R858 PolarHBondContact O-N 3.28Å
859G32.8Very low46.4Very low69 Ų69105.1 Ų105.171%0.71158%0.577SS**SBendtrans-104.186.7177.800000112.5F861G859-F861 PolarHBondContact O-N 3.07Å
860N37.7Very low48.2Very low161 Ų161101.8 Ų101.886%0.86156%0.556SS**  trans33.251.9153.3-62-4.6000118.8S862N860-S862 PolarHBondContact O-N 3.23Å
861F35.1Very low50.2Low95 Ų9595.7 Ų95.742%0.41752%0.524SS..  trans-64104.8157.4-169.2-93.9000107.4T849 G859 Y863T849-F861 HydrophobicContact CG2-CD2 4.49Å; T849-F861 HydrophobicContact CG2-CE2 4.24Å; G859-F861 PolarHBondContact O-N 3.07Å; F861-Y863 HydrophobicContact CD1-CD1 4.02Å; F861-Y863 HydrophobicContact CD1-CD2 4.41Å; F861-Y863 HydrophobicContact CD1-CE1 4.11Å; F861-Y863 HydrophobicContact CD1-CE2 4.49Å; F861-Y863 HydrophobicContact CD1-CG 4.19Å; F861-Y863 AromaticContact CE1-CD1 3.83Å; F861-Y863 HydrophobicContact CE1-CD1 3.83Å; F861-Y863 HydrophobicContact CE1-CE1 4.05Å; F861-Y863 HydrophobicContact CE1-CG 4.33Å; F861-Y863 PolarHBondContact O-N 3.35Å
862S44.7Very low52.1Low71 Ų7192.2 Ų92.250%0.49750%0.503SS..  trans-80.7106.9171.6-168.30000107.5N860 R864 S865N860-S862 PolarHBondContact O-N 3.23Å; S862-R864 PolarHBondContact O-N 2.83Å; S862-R864 WeakPolarHBondContact OG-CB 3.49Å; S862-S865 PolarHBondContact O-N 3.45Å; S862-S865 VanDerWaalsContact O-N 3.08Å
863Y44.7Very low54.4Low119 Ų11990.5 Ų90.547%0.46749%0.486SS..G310 helixtrans-52.8-17.3172.9-73.6-79.8000113.2F842 F861 S865 A866 P909F842-Y863 HydrophobicContact CE2-CD1 4.05Å; F842-Y863 HydrophobicContact CE2-CE1 4.46Å; F842-Y863 HydrophobicContact CZ-CD1 4.35Å; F842-Y863 HydrophobicContact CZ-CE1 4.31Å; F861-Y863 HydrophobicContact CD1-CD1 4.02Å; F861-Y863 HydrophobicContact CD1-CD2 4.41Å; F861-Y863 HydrophobicContact CD1-CE1 4.11Å; F861-Y863 HydrophobicContact CD1-CE2 4.49Å; F861-Y863 HydrophobicContact CD1-CG 4.19Å; F861-Y863 AromaticContact CE1-CD1 3.83Å; F861-Y863 HydrophobicContact CE1-CD1 3.83Å; F861-Y863 HydrophobicContact CE1-CE1 4.05Å; F861-Y863 HydrophobicContact CE1-CG 4.33Å; F861-Y863 PolarHBondContact O-N 3.35Å; Y863-S865 PolarHBondContact O-N 3.47Å; Y863-A866 WeakPolarHBondContact O-CB 3.2Å; Y863-A866 PolarHBondContact O-N 2.83Å; Y863-A866 VanDerWaalsContact O-N 3.15Å; Y863-P909 HydrophobicContact CD1-CB 3.53Å; Y863-P909 HydrophobicContact CD2-CB 4.45Å; Y863-P909 HydrophobicContact CE1-CB 3.43Å; Y863-P909 VanDerWaalsContact CE1-CB 3.43Å; Y863-P909 HydrophobicContact CE1-CG 4Å; Y863-P909 HydrophobicContact CE2-CB 4.37Å; Y863-P909 HydrophobicContact CG-CB 4.05Å
864R47.4Very low57.3Low180 Ų18085.2 Ų85.268%0.67945%0.454SS*.G310 helixtrans-58.3-14.6172.6-71-162.4173.2-146.71.1115.4S862 E913S862-R864 PolarHBondContact O-N 2.83Å; S862-R864 WeakPolarHBondContact OG-CB 3.49Å; R864-E913 WeakPolarHBondContact CA-OE1 3.28Å; R864-E913 WeakPolarHBondContact CA-OE2 3.23Å
865S56.3Low60.1Low68 Ų6878.9 Ų78.948%0.47641%0.412SS..G310 helixtrans-107.310.7-180-169.10000113.6S862 Y863S862-S865 PolarHBondContact O-N 3.45Å; S862-S865 VanDerWaalsContact O-N 3.08Å; Y863-S865 PolarHBondContact O-N 3.47Å
866A64.5Low62.8Low2 Ų274.9 Ų74.92%0.01739%0.388CS..THydrogen-bonded Turntrans-77.1-20.9-172.700000114.3F842 Y863F842-A866 HydrophobicContact CD2-CB 3.6Å; F842-A866 HydrophobicContact CE2-CB 4.07Å; Y863-A866 WeakPolarHBondContact O-CB 3.2Å; Y863-A866 PolarHBondContact O-N 2.83Å; Y863-A866 VanDerWaalsContact O-N 3.15Å
867V76.1Confident65.4Low0 Ų072.2 Ų72.20%037%0.367CS..THydrogen-bonded Turntrans-132.632.9-171-153.60000113.3M838 E841 F842 F870 E871 E913M838-V867 HydrophobicContact CB-CG1 3.95Å; M838-V867 HydrophobicContact CG-CB 4.3Å; M838-V867 HydrophobicContact CG-CG1 3.53Å; M838-V867 HydrophobicContact CG-CG2 3.94Å; E841-V867 HydrophobicContact CB-CG1 4.34Å; F842-V867 HydrophobicContact CB-CG2 4.47Å; V867-F870 HydrophobicContact CG1-CB 3.96Å; V867-F870 HydrophobicContact CG1-CD1 3.88Å; V867-F870 HydrophobicContact CG1-CG 4.32Å; V867-E871 VanDerWaalsContact O-CB 3.23Å; V867-E871 WeakPolarHBondContact O-CB 3.15Å; V867-E871 PolarHBondContact O-N 2.75Å; V867-E871 VanDerWaalsContact O-N 3.08Å; V867-E913 HydrophobicContact CG2-CG 3.93Å
868V78Confident68.5Low55 Ų5564.5 Ų64.533%0.33333%0.326SS..Hα-helixtrans-70.3-37.3-168.8177.80000111.8E841 T872E841-V868 PolarHBondContact OE1-N 3Å; E841-V868 VanDerWaalsContact OE1-N 3.12Å; V868-T872 WeakPolarHBondContact O-CB 3.31Å; V868-T872 PolarHBondContact O-N 3.31Å; V868-T872 PolarHBondContact O-OG1 2.9Å
869E81.4Confident71.4Confident83 Ų8353.5 Ų53.539%0.38829%0.285SS..Hα-helixtrans-70.8-48.1-175-73.4166.3-148.700111.1E841 R845 T872 E873E841-E869 PolarHBondContact OE1-N 3.37Å; R845-E869 IonicContact CZ-OE1 3.43Å; R845-E869 VanDerWaalsContact CZ-OE1 3.32Å; R845-E869 VanDerWaalsContact NH1-CD 3.29Å; R845-E869 IonicContact NH1-OE1 2.74Å; R845-E869 PolarHBondContact NH1-OE1 3.18Å; R845-E869 IonicContact NH1-OE2 3.09Å; R845-E869 IonicContact NH2-OE1 3.9Å; R845-E869 PolarHBondContact NH2-OE1 3.17Å; E869-T872 PolarHBondContact O-N 2.84Å; E869-E873 WeakPolarHBondContact O-CB 3.22Å; E869-E873 PolarHBondContact O-N 3.26Å
870F87.3Confident74.1Confident3 Ų354.3 Ų54.31%0.01327%0.27CS..Hα-helixtrans-59.8-49.8173.2166.4-98.7000111.7I808 V812 F834 M837 M838 E841 V867 T872 E873 F874I808-F870 HydrophobicContact CG2-CB 3.97Å; I808-F870 HydrophobicContact CG2-CD2 4.1Å; V812-F870 HydrophobicContact CG2-CD2 3.72Å; V812-F870 HydrophobicContact CG2-CE2 3.93Å; F834-F870 HydrophobicContact CB-CE2 4.18Å; F834-F870 HydrophobicContact CB-CZ 3.87Å; F834-F870 AromaticContact CD1-CE2 3.86Å; F834-F870 HydrophobicContact CD1-CE2 3.86Å; F834-F870 HydrophobicContact CD1-CZ 4.22Å; F834-F870 HydrophobicContact CG-CE2 4.43Å; F834-F870 HydrophobicContact CG-CZ 4.37Å; M837-F870 HydrophobicContact CB-CD2 3.75Å; M837-F870 HydrophobicContact CB-CE2 3.97Å; M837-F870 HydrophobicContact CB-CG 4.49Å; M837-F870 HydrophobicContact SD-CD2 4.25Å; M837-F870 HydrophobicContact SD-CE2 4.08Å; M838-F870 HydrophobicContact CB-CD1 4.17Å; M838-F870 HydrophobicContact CB-CE1 4.26Å; E841-F870 WeakPolarHBondContact OE2-CB 3.47Å; E841-F870 PolarHBondContact OE2-N 3.11Å; V867-F870 HydrophobicContact CG1-CB 3.96Å; V867-F870 HydrophobicContact CG1-CD1 3.88Å; V867-F870 HydrophobicContact CG1-CG 4.32Å; F870-T872 VanDerWaalsContact C-N 3.28Å; F870-T872 PolarHBondContact O-N 2.83Å; F870-E873 PolarHBondContact O-N 3.26Å; F870-F874 HydrophobicContact CE2-CB 4.32Å; F870-F874 AromaticContact CE2-CD2 3.94Å; F870-F874 HydrophobicContact CE2-CD2 3.94Å; F870-F874 HydrophobicContact CE2-CG 4.5Å; F870-F874 HydrophobicContact CZ-CB 4.19Å; F870-F874 AromaticContact CZ-CD2 3.72Å; F870-F874 HydrophobicContact CZ-CD2 3.72Å; F870-F874 HydrophobicContact CZ-CE2 4.43Å; F870-F874 HydrophobicContact CZ-CG 4.12Å; F870-F874 WeakPolarHBondContact O-CB 3.29Å; F870-F874 PolarHBondContact O-N 3.31Å
871E89.7Confident76.4Confident18 Ų1847.7 Ų47.78%0.08423%0.234CC..Hα-helixtrans-59.5-42.6-179.8179.7175.6-152.200110.8V867 F874 I875 R916 V917V867-E871 VanDerWaalsContact O-CB 3.23Å; V867-E871 WeakPolarHBondContact O-CB 3.15Å; V867-E871 PolarHBondContact O-N 2.75Å; V867-E871 VanDerWaalsContact O-N 3.08Å; E871-F874 PolarHBondContact O-N 3.5Å; E871-I875 HydrophobicContact CG-CD1 3.68Å; E871-I875 HydrophobicContact CG-CG1 4.47Å; E871-I875 WeakPolarHBondContact O-CB 3.46Å; E871-I875 VanDerWaalsContact O-CG1 3.3Å; E871-I875 WeakPolarHBondContact O-CG1 3.43Å; E871-I875 PolarHBondContact O-N 2.79Å; E871-R916 IonicContact OE1-CZ 3.71Å; E871-R916 IonicContact OE1-NH1 3.87Å; E871-R916 PolarHBondContact OE1-NH1 3.43Å; E871-R916 IonicContact OE1-NH2 2.7Å; E871-R916 PolarHBondContact OE1-NH2 2.91Å; E871-R916 IonicContact OE2-CZ 3.35Å; E871-R916 IonicContact OE2-NH1 3.75Å; E871-R916 IonicContact OE2-NH2 3.9Å; E871-R916 PolarHBondContact OE2-NH2 3.29Å; E871-V917 HydrophobicContact CG-CG1 4.33Å; E871-V917 HydrophobicContact CG-CG2 4.44Å
872T86.8Confident78.9Confident56 Ų5643.2 Ų43.234%0.34422%0.215SC..Hα-helixtrans-63.7-48.7-178.2-59.50000111.5V868 E869 F870 T876V868-T872 WeakPolarHBondContact O-CB 3.31Å; V868-T872 PolarHBondContact O-N 3.31Å; V868-T872 PolarHBondContact O-OG1 2.9Å; E869-T872 PolarHBondContact O-N 2.84Å; F870-T872 VanDerWaalsContact C-N 3.28Å; F870-T872 PolarHBondContact O-N 2.83Å; T872-T876 WeakPolarHBondContact O-CB 3.41Å; T872-T876 PolarHBondContact O-N 3.5Å; T872-T876 VanDerWaalsContact O-N 3.08Å; T872-T876 PolarHBondContact O-OG1 2.89Å
873E85.9Confident80.7Confident45 Ų4541.1 Ų41.121%0.2120%0.198CC..Hα-helixtrans-66.8-42.2179.5-171.863.4-155.600111.3P809 V812 E869 F870 I875 T876 K877P809-E873 WeakPolarHBondContact O-CG 3.45Å; V812-E873 HydrophobicContact CB-CB 4.5Å; V812-E873 HydrophobicContact CB-CG 3.9Å; V812-E873 HydrophobicContact CG1-CB 4.4Å; V812-E873 HydrophobicContact CG1-CG 4.04Å; E869-E873 WeakPolarHBondContact O-CB 3.22Å; E869-E873 PolarHBondContact O-N 3.26Å; F870-E873 PolarHBondContact O-N 3.26Å; E873-I875 PolarHBondContact O-N 2.7Å; E873-T876 PolarHBondContact O-N 2.89Å; E873-K877 HydrophobicContact CG-CG 4.35Å; E873-K877 WeakPolarHBondContact O-CB 3.45Å; E873-K877 WeakPolarHBondContact O-CG 3.44Å; E873-K877 PolarHBondContact O-N 2.94Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 WeakPolarHBondContact OE1-CG 3.41Å; E873-K877 IonicContact OE1-NZ 2.88Å
874F92.1Very high82.3Confident2 Ų239.4 Ų39.41%0.00921%0.208CC..Hα-helixtrans-60.6-48.9179.6-170.7-83.2000111.3V812 L816 F834 F870 E871 T876 K877 L878 F895 V921V812-F874 VanDerWaalsContact CG1-CA 3.49Å; V812-F874 HydrophobicContact CG1-CB 3.92Å; V812-F874 HydrophobicContact CG1-CD2 3.97Å; V812-F874 HydrophobicContact CG1-CG 4.37Å; L816-F874 HydrophobicContact CD1-CE2 3.84Å; L816-F874 HydrophobicContact CD1-CZ 3.76Å; F834-F874 AromaticContact CD1-CD2 3.95Å; F834-F874 HydrophobicContact CD1-CD2 3.95Å; F834-F874 AromaticContact CD1-CE2 3.79Å; F834-F874 HydrophobicContact CD1-CE2 3.79Å; F834-F874 AromaticContact CD2-CE2 3.75Å; F834-F874 HydrophobicContact CD2-CE2 3.75Å; F834-F874 AromaticContact CE1-CD2 3.98Å; F834-F874 HydrophobicContact CE1-CD2 3.98Å; F834-F874 AromaticContact CE1-CE2 3.74Å; F834-F874 HydrophobicContact CE1-CE2 3.74Å; F834-F874 AromaticContact CE2-CE2 3.7Å; F834-F874 HydrophobicContact CE2-CE2 3.7Å; F834-F874 HydrophobicContact CE2-CZ 4.43Å; F834-F874 HydrophobicContact CG-CD2 4.3Å; F834-F874 AromaticContact CG-CE2 3.78Å; F834-F874 HydrophobicContact CG-CE2 3.78Å; F834-F874 HydrophobicContact CZ-CD2 4.35Å; F834-F874 AromaticContact CZ-CE2 3.69Å; F834-F874 HydrophobicContact CZ-CE2 3.69Å; F870-F874 HydrophobicContact CE2-CB 4.32Å; F870-F874 AromaticContact CE2-CD2 3.94Å; F870-F874 HydrophobicContact CE2-CD2 3.94Å; F870-F874 HydrophobicContact CE2-CG 4.5Å; F870-F874 HydrophobicContact CZ-CB 4.19Å; F870-F874 AromaticContact CZ-CD2 3.72Å; F870-F874 HydrophobicContact CZ-CD2 3.72Å; F870-F874 HydrophobicContact CZ-CE2 4.43Å; F870-F874 HydrophobicContact CZ-CG 4.12Å; F870-F874 WeakPolarHBondContact O-CB 3.29Å; F870-F874 PolarHBondContact O-N 3.31Å; E871-F874 PolarHBondContact O-N 3.5Å; F874-T876 VanDerWaalsContact C-N 3.32Å; F874-T876 PolarHBondContact O-N 3.44Å; F874-K877 PolarHBondContact O-N 3.48Å; F874-L878 HydrophobicContact CD1-CD2 4.47Å; F874-L878 HydrophobicContact CE1-CD1 4.46Å; F874-L878 HydrophobicContact CE1-CD2 3.96Å; F874-L878 WeakPolarHBondContact O-CB 3.28Å; F874-L878 PolarHBondContact O-N 3.43Å; F874-F895 HydrophobicContact CE1-CE2 4.35Å; F874-F895 HydrophobicContact CE1-CZ 4.07Å; F874-F895 HydrophobicContact CE2-CE2 4.05Å; F874-F895 HydrophobicContact CE2-CZ 4.32Å; F874-F895 HydrophobicContact CZ-CD2 4.41Å; F874-F895 AromaticContact CZ-CE2 3.49Å; F874-F895 HydrophobicContact CZ-CE2 3.49Å; F874-F895 VanDerWaalsContact CZ-CE2 3.49Å; F874-F895 AromaticContact CZ-CZ 3.63Å; F874-F895 HydrophobicContact CZ-CZ 3.63Å; F874-V921 HydrophobicContact CD1-CG2 3.83Å; F874-V921 HydrophobicContact CE1-CB 4.42Å; F874-V921 HydrophobicContact CE1-CG1 3.73Å; F874-V921 HydrophobicContact CE1-CG2 3.72Å; F874-V921 HydrophobicContact CZ-CG1 4.48Å
875I93.4Very high83.7Confident1 Ų133 Ų331%0.00520%0.199CC..Hα-helixtrans-62.1-41.9177.9-73.3172.4000111E871 E873 L878 D879 T920 L924 Y955 I958 H960 L963E871-I875 HydrophobicContact CG-CD1 3.68Å; E871-I875 HydrophobicContact CG-CG1 4.47Å; E871-I875 WeakPolarHBondContact O-CB 3.46Å; E871-I875 VanDerWaalsContact O-CG1 3.3Å; E871-I875 WeakPolarHBondContact O-CG1 3.43Å; E871-I875 PolarHBondContact O-N 2.79Å; E873-I875 PolarHBondContact O-N 2.7Å; I875-L878 PolarHBondContact O-N 3.1Å; I875-D879 PolarHBondContact O-N 3.37Å; I875-T920 HydrophobicContact CD1-CG2 4.26Å; I875-L924 HydrophobicContact CB-CD2 4.15Å; I875-L924 HydrophobicContact CG1-CD2 3.95Å; I875-L924 HydrophobicContact CG2-CD2 3.75Å; I875-Y955 HydrophobicContact CG2-CE1 4Å; I875-I958 HydrophobicContact CD1-CD1 3.94Å; I875-I958 HydrophobicContact CG2-CD1 4.42Å; I875-H960 WeakPolarHBondContact CD1-NE2 3.2Å; I875-H960 VanDerWaalsContact CG2-CE1 3.48Å; I875-H960 WeakPolarHBondContact CG2-CE1 3.33Å; I875-L963 HydrophobicContact CG2-CD1 3.67Å
876T89.9Confident84.8Confident31 Ų3132 Ų3219%0.1919%0.191CC..Hα-helixtrans-64.6-44.5-180-59.60000112T872 E873 F874 Q880T872-T876 WeakPolarHBondContact O-CB 3.41Å; T872-T876 PolarHBondContact O-N 3.5Å; T872-T876 VanDerWaalsContact O-N 3.08Å; T872-T876 PolarHBondContact O-OG1 2.89Å; E873-T876 PolarHBondContact O-N 2.89Å; F874-T876 VanDerWaalsContact C-N 3.32Å; F874-T876 PolarHBondContact O-N 3.44Å; T876-Q880 WeakPolarHBondContact O-CG 3.34Å; T876-Q880 PolarHBondContact O-N 3.16Å
877K89.1Confident85.5Confident64 Ų6432.5 Ų32.528%0.27820%0.197SC..Hα-helixtrans-72.7-35.3177.9-65.9-68.3176.8178.90112.2L816 E873 F874 Q880 L881L816-K877 HydrophobicContact CD2-CB 3.95Å; E873-K877 HydrophobicContact CG-CG 4.35Å; E873-K877 WeakPolarHBondContact O-CB 3.45Å; E873-K877 WeakPolarHBondContact O-CG 3.44Å; E873-K877 PolarHBondContact O-N 2.94Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 WeakPolarHBondContact OE1-CG 3.41Å; E873-K877 IonicContact OE1-NZ 2.88Å; F874-K877 PolarHBondContact O-N 3.48Å; K877-Q880 PolarHBondContact O-N 2.98Å; K877-L881 WeakPolarHBondContact O-CB 3.4Å; K877-L881 VanDerWaalsContact O-CG 3.28Å; K877-L881 WeakPolarHBondContact O-CG 3.48Å; K877-L881 PolarHBondContact O-N 3.45Å
878L93.5Very high85.8Confident0 Ų034.7 Ų34.70%021%0.209CC..Hα-helixtrans-64-42.8176.4-169.170.7000112.1L816 F874 I875 L881 I882 V921 L924 I925 L928L816-L878 HydrophobicContact CD1-CD1 4.03Å; L816-L878 HydrophobicContact CD2-CB 3.87Å; L816-L878 HydrophobicContact CD2-CD1 3.94Å; L816-L878 HydrophobicContact CG-CD1 4.39Å; F874-L878 HydrophobicContact CD1-CD2 4.47Å; F874-L878 HydrophobicContact CE1-CD1 4.46Å; F874-L878 HydrophobicContact CE1-CD2 3.96Å; F874-L878 WeakPolarHBondContact O-CB 3.28Å; F874-L878 PolarHBondContact O-N 3.43Å; I875-L878 PolarHBondContact O-N 3.1Å; L878-L881 PolarHBondContact O-N 3.2Å; L878-I882 HydrophobicContact CD1-CD1 3.73Å; L878-I882 HydrophobicContact CD1-CG1 4.16Å; L878-I882 HydrophobicContact CG-CD1 3.82Å; L878-I882 HydrophobicContact CG-CG1 4.39Å; L878-I882 WeakPolarHBondContact O-CB 3.35Å; L878-I882 WeakPolarHBondContact O-CG1 3.39Å; L878-I882 PolarHBondContact O-N 3.04Å; L878-V921 HydrophobicContact CD2-CG1 4Å; L878-L924 HydrophobicContact CD2-CD2 3.9Å; L878-L924 HydrophobicContact CD2-CG 4.24Å; L878-I925 HydrophobicContact CD1-CG1 4.46Å; L878-I925 HydrophobicContact CD2-CD1 4.37Å; L878-I925 HydrophobicContact CD2-CG1 3.73Å; L878-I925 HydrophobicContact CG-CG1 4.48Å; L878-L928 HydrophobicContact CG-CD1 4.39Å
879D93.4Very high86Confident0 Ų035 Ų350%022%0.218CC..Hα-helixtrans-54-53.9171.8177.271.4000110.9I875 L881 D883 L928 Y955 L963 K966 Y967I875-D879 PolarHBondContact O-N 3.37Å; D879-L881 PolarHBondContact O-N 3.42Å; D879-D883 WeakPolarHBondContact O-CB 3.48Å; D879-D883 PolarHBondContact O-N 3.15Å; D879-L928 WeakPolarHBondContact OD1-CD2 3.43Å; D879-Y955 PolarHBondContact OD1-OH 3.38Å; D879-Y955 VanDerWaalsContact OD1-OH 3.06Å; D879-L963 HydrophobicContact CB-CD1 4.33Å; D879-L963 HydrophobicContact CB-CD2 4.2Å; D879-K966 IonicContact OD2-NZ 2.91Å; D879-K966 PolarHBondContact OD2-NZ 3.42Å; D879-Y967 VanDerWaalsContact OD1-CE2 3.29Å; D879-Y967 WeakPolarHBondContact OD1-CE2 3.48Å; D879-Y967 PolarHBondContact OD1-OH 3.33Å
880Q88.6Confident86.2Confident87 Ų8738.1 Ų38.141%0.40723%0.23SC..Hα-helixtrans-60.7-46.7-177.6-68.5171.914.900112.4T876 K877 A884T876-Q880 WeakPolarHBondContact O-CG 3.34Å; T876-Q880 PolarHBondContact O-N 3.16Å; K877-Q880 PolarHBondContact O-N 2.98Å; Q880-A884 WeakPolarHBondContact O-CB 3.48Å; Q880-A884 PolarHBondContact O-N 3.33Å
881L85.5Confident86.3Confident21 Ų2138 Ų3811%0.1123%0.229CC..Hα-helixtrans-73.8-41.1-174-68.4172.5000112.6L816 E817 L820 K877 L878 D879 A884 G885 S886L816-L881 HydrophobicContact CB-CD1 3.94Å; L816-L881 HydrophobicContact CD2-CD1 3.91Å; L816-L881 HydrophobicContact CG-CD1 3.78Å; E817-L881 HydrophobicContact CG-CD1 3.7Å; E817-L881 HydrophobicContact CG-CD2 3.53Å; E817-L881 HydrophobicContact CG-CG 4.28Å; L820-L881 HydrophobicContact CD1-CB 3.53Å; L820-L881 HydrophobicContact CD1-CD1 3.81Å; L820-L881 HydrophobicContact CD1-CG 4.29Å; K877-L881 WeakPolarHBondContact O-CB 3.4Å; K877-L881 VanDerWaalsContact O-CG 3.28Å; K877-L881 WeakPolarHBondContact O-CG 3.48Å; K877-L881 PolarHBondContact O-N 3.45Å; L878-L881 PolarHBondContact O-N 3.2Å; D879-L881 PolarHBondContact O-N 3.42Å; L881-A884 PolarHBondContact O-N 2.89Å; L881-G885 PolarHBondContact O-N 3.29Å; L881-S886 VanDerWaalsContact O-CB 3.25Å; L881-S886 WeakPolarHBondContact O-CB 3.38Å; L881-S886 PolarHBondContact O-N 3Å
882I88.7Confident86.1Confident2 Ų238 Ų381%0.0123%0.232CC..Hα-helixtrans-68.3-39.7176.2-63.4-178.8000110.4L878 A884 G885 S886 I925 L928 L929 R932L878-I882 HydrophobicContact CD1-CD1 3.73Å; L878-I882 HydrophobicContact CD1-CG1 4.16Å; L878-I882 HydrophobicContact CG-CD1 3.82Å; L878-I882 HydrophobicContact CG-CG1 4.39Å; L878-I882 WeakPolarHBondContact O-CB 3.35Å; L878-I882 WeakPolarHBondContact O-CG1 3.39Å; L878-I882 PolarHBondContact O-N 3.04Å; I882-A884 PolarHBondContact O-N 2.86Å; I882-G885 PolarHBondContact O-N 2.9Å; I882-S886 WeakPolarHBondContact CA-O 3.43Å; I882-I925 HydrophobicContact CD1-CG1 4.16Å; I882-I925 HydrophobicContact CD1-CG2 4.25Å; I882-L928 HydrophobicContact CB-CB 4.27Å; I882-L928 HydrophobicContact CB-CD1 4.25Å; I882-L928 HydrophobicContact CD1-CB 4.3Å; I882-L928 HydrophobicContact CD1-CD1 3.96Å; I882-L928 HydrophobicContact CG2-CB 3.76Å; I882-L929 HydrophobicContact CG2-CD2 4.29Å; I882-R932 WeakPolarHBondContact O-CD 3.48Å
883D82.6Confident86.2Confident27 Ų2740.6 Ų40.614%0.14424%0.244CC..Hα-helixtrans-62.2-32.3174.1-16217.5000111.5D879 G885 R935 K970D879-D883 WeakPolarHBondContact O-CB 3.48Å; D879-D883 PolarHBondContact O-N 3.15Å; D883-G885 VanDerWaalsContact C-N 3.25Å; D883-G885 PolarHBondContact O-N 3.33Å; D883-R935 PolarHBondContact O-NH2 3.41Å; D883-R935 IonicContact OD1-CZ 3.99Å; D883-R935 VanDerWaalsContact OD1-CZ 3.26Å; D883-R935 IonicContact OD1-NH1 2.79Å; D883-R935 PolarHBondContact OD1-NH1 3.48Å; D883-R935 IonicContact OD1-NH2 3.28Å; D883-R935 PolarHBondContact OD1-NH2 2.95Å; D883-K970 IonicContact OD2-NZ 2.86Å; D883-K970 PolarHBondContact OD2-NZ 2.71Å
884A78.6Confident86.4Confident82 Ų8239.1 Ų39.168%0.67824%0.238SC*.THydrogen-bonded Turntrans-75.7-4.717400000114.7Q880 L881 I882Q880-A884 WeakPolarHBondContact O-CB 3.48Å; Q880-A884 PolarHBondContact O-N 3.33Å; L881-A884 PolarHBondContact O-N 2.89Å; I882-A884 PolarHBondContact O-N 2.86Å
885G75.8Confident86.4Confident47 Ų4739.2 Ų39.249%0.48524%0.238SC..THydrogen-bonded Turntrans104.32.5176.700000115.3L881 I882 D883 R932L881-G885 PolarHBondContact O-N 3.29Å; I882-G885 PolarHBondContact O-N 2.9Å; D883-G885 VanDerWaalsContact C-N 3.25Å; D883-G885 PolarHBondContact O-N 3.33Å; G885-R932 PolarHBondContact O-NH1 3.26Å
886S80.5Confident86.4Confident45 Ų4540.1 Ų40.132%0.31524%0.244SC..  trans-79.5156.6176-59.40000112.1L881 I882 R932L881-S886 VanDerWaalsContact O-CB 3.25Å; L881-S886 WeakPolarHBondContact O-CB 3.38Å; L881-S886 PolarHBondContact O-N 3Å; I882-S886 WeakPolarHBondContact CA-O 3.43Å; S886-R932 PolarHBondContact O-NH1 3.36Å
887G79.5Confident86.5Confident13 Ų1344.2 Ų44.213%0.13426%0.256CS..  trans82.7149.8176.600000115.8R932G887-R932 PolarHBondContact O-NH1 2.96Å; G887-R932 PolarHBondContact O-NH2 3.46Å
888D81.9Confident86.7Confident46 Ų4642.2 Ų42.225%0.24625%0.248CC..  trans-136.9166.8179.364.9-15.3000111.4R827 K890 Y891R827-D888 IonicContact CZ-OD1 2.78Å; R827-D888 VanDerWaalsContact CZ-OD1 3.27Å; R827-D888 IonicContact NH1-OD1 2.79Å; R827-D888 PolarHBondContact NH1-OD1 2.79Å; R827-D888 IonicContact NH1-OD2 2.76Å; R827-D888 IonicContact NH2-OD1 3.12Å; R827-D888 PolarHBondContact NH2-OD1 3.05Å; R827-D888 IonicContact NH2-OD2 2.89Å; D888-K890 PolarHBondContact O-N 3.21Å; D888-Y891 VanDerWaalsContact O-CB 3.28Å; D888-Y891 WeakPolarHBondContact O-CB 3.35Å; D888-Y891 PolarHBondContact O-N 2.93Å; D888-Y891 WeakPolarHBondContact OD1-CB 3.08Å; D888-Y891 PolarHBondContact OD1-N 2.96Å
889A81.3Confident86.6Confident63 Ų6342.3 Ų42.352%0.52125%0.248SC..Hα-helixtrans-57.8-33.9179.500000112.5Y891 A892 D893 L929A889-Y891 VanDerWaalsContact C-N 3.28Å; A889-Y891 PolarHBondContact O-N 3.35Å; A889-A892 VanDerWaalsContact O-CB 3.3Å; A889-A892 WeakPolarHBondContact O-CB 3.35Å; A889-A892 PolarHBondContact O-N 3.14Å; A889-A892 VanDerWaalsContact O-N 3.12Å; A889-D893 PolarHBondContact O-N 3.14Å; A889-L929 HydrophobicContact CB-CD1 4.4Å
890K86.5Confident86.6Confident148 Ų14844.5 Ų44.564%0.64326%0.259SS*.Hα-helixtrans-64.3-30.1175.9-64.6-178179.9-179.90113.3D888 T894D888-K890 PolarHBondContact O-N 3.21Å; K890-T894 WeakPolarHBondContact O-CB 3.49Å; K890-T894 PolarHBondContact O-N 3.08Å; K890-T894 PolarHBondContact O-OG1 3.4Å
891Y88.7Confident86.7Confident1 Ų146.2 Ų46.20%0.00427%0.267CS..Hα-helixtrans-63.2-44173.1175.2-97.7000110.6L816 T819 L820 R827 I831 D888 A889 D893 T894 F895 I925L816-Y891 VanDerWaalsContact CD1-OH 3.26Å; L816-Y891 WeakPolarHBondContact CD1-OH 3.49Å; T819-Y891 VanDerWaalsContact O-CD2 3.32Å; T819-Y891 WeakPolarHBondContact O-CD2 3.29Å; T819-Y891 VanDerWaalsContact O-CE2 3.29Å; T819-Y891 WeakPolarHBondContact O-CE2 3.47Å; T819-Y891 WeakPolarHBondContact OG1-CE2 3.46Å; T819-Y891 PolarHBondContact OG1-OH 2.76Å; L820-Y891 HydrophobicContact CD2-CD1 3.72Å; L820-Y891 HydrophobicContact CD2-CD2 4.22Å; L820-Y891 HydrophobicContact CD2-CE1 3.63Å; L820-Y891 HydrophobicContact CD2-CE2 4.13Å; L820-Y891 HydrophobicContact CD2-CG 4.02Å; R827-Y891 HydrophobicContact CG-CD2 4.39Å; I831-Y891 HydrophobicContact CD1-CE2 4.25Å; D888-Y891 VanDerWaalsContact O-CB 3.28Å; D888-Y891 WeakPolarHBondContact O-CB 3.35Å; D888-Y891 PolarHBondContact O-N 2.93Å; D888-Y891 WeakPolarHBondContact OD1-CB 3.08Å; D888-Y891 PolarHBondContact OD1-N 2.96Å; A889-Y891 VanDerWaalsContact C-N 3.28Å; A889-Y891 PolarHBondContact O-N 3.35Å; Y891-D893 PolarHBondContact O-N 3.02Å; Y891-T894 PolarHBondContact O-N 3.16Å; Y891-F895 HydrophobicContact CE1-CB 4.24Å; Y891-F895 HydrophobicContact CE1-CD2 4.44Å; Y891-F895 HydrophobicContact CE1-CG 4.5Å; Y891-F895 VanDerWaalsContact O-CB 3.27Å; Y891-F895 WeakPolarHBondContact O-CB 3.44Å; Y891-F895 PolarHBondContact O-N 2.95Å; Y891-I925 HydrophobicContact CD1-CD1 4.12Å; Y891-I925 HydrophobicContact CE1-CD1 3.99Å
892A86.2Confident87Confident16 Ų1647.4 Ų47.413%0.13227%0.273CS..Hα-helixtrans-55.9-51.6177.200000110.8A889 T894 F895 V896 I925A889-A892 VanDerWaalsContact O-CB 3.3Å; A889-A892 WeakPolarHBondContact O-CB 3.35Å; A889-A892 PolarHBondContact O-N 3.14Å; A889-A892 VanDerWaalsContact O-N 3.12Å; A892-T894 VanDerWaalsContact C-N 3.32Å; A892-T894 PolarHBondContact O-N 3.37Å; A892-F895 PolarHBondContact O-N 3.13Å; A892-V896 WeakPolarHBondContact O-CB 3.42Å; A892-V896 VanDerWaalsContact O-CG2 3.27Å; A892-V896 WeakPolarHBondContact O-CG2 3.45Å; A892-V896 PolarHBondContact O-N 3.12Å; A892-I925 HydrophobicContact CB-CB 4.37Å; A892-I925 HydrophobicContact CB-CD1 4.36Å; A892-I925 HydrophobicContact CB-CG2 3.72Å
893D88.2Confident87Confident112 Ų11247.3 Ų47.360%0.59927%0.273SS*.Hα-helixtrans-59.6-42.5178.6-62.8-27.9000112.1A889 Y891 R897A889-D893 PolarHBondContact O-N 3.14Å; Y891-D893 PolarHBondContact O-N 3.02Å; D893-R897 WeakPolarHBondContact O-CB 3.41Å; D893-R897 PolarHBondContact O-N 3.24Å
894T90.1Very high87.2Confident13 Ų1349.2 Ų49.28%0.0829%0.288CS..Hα-helixtrans-68.7-44.3-179.1-56.80000111.5R827 I831 K890 Y891 A892 L898R827-T894 HydrophobicContact CB-CG2 4.25Å; I831-T894 HydrophobicContact CD1-CG2 4Å; K890-T894 WeakPolarHBondContact O-CB 3.49Å; K890-T894 PolarHBondContact O-N 3.08Å; K890-T894 PolarHBondContact O-OG1 3.4Å; Y891-T894 PolarHBondContact O-N 3.16Å; A892-T894 VanDerWaalsContact C-N 3.32Å; A892-T894 PolarHBondContact O-N 3.37Å; T894-L898 HydrophobicContact CG2-CD1 3.96Å; T894-L898 WeakPolarHBondContact O-CB 3.29Å; T894-L898 WeakPolarHBondContact O-CG 3.42Å; T894-L898 PolarHBondContact O-N 3.4Å
895F93.1Very high87.4Confident4 Ų449.8 Ų49.82%0.01829%0.288CS..Hα-helixtrans-62.6-53178.1-179.1-88.1000110.6I831 F834 F874 Y891 A892 R897 L898 M899 V921I831-F895 HydrophobicContact CD1-CB 4.46Å; I831-F895 HydrophobicContact CG1-CD2 4.37Å; I831-F895 HydrophobicContact CG2-CD2 4Å; I831-F895 HydrophobicContact CG2-CE2 4.44Å; F834-F895 AromaticContact CD2-CE2 3.98Å; F834-F895 HydrophobicContact CD2-CE2 3.98Å; F874-F895 HydrophobicContact CE1-CE2 4.35Å; F874-F895 HydrophobicContact CE1-CZ 4.07Å; F874-F895 HydrophobicContact CE2-CE2 4.05Å; F874-F895 HydrophobicContact CE2-CZ 4.32Å; F874-F895 HydrophobicContact CZ-CD2 4.41Å; F874-F895 AromaticContact CZ-CE2 3.49Å; F874-F895 HydrophobicContact CZ-CE2 3.49Å; F874-F895 VanDerWaalsContact CZ-CE2 3.49Å; F874-F895 AromaticContact CZ-CZ 3.63Å; F874-F895 HydrophobicContact CZ-CZ 3.63Å; Y891-F895 HydrophobicContact CE1-CB 4.24Å; Y891-F895 HydrophobicContact CE1-CD2 4.44Å; Y891-F895 HydrophobicContact CE1-CG 4.5Å; Y891-F895 VanDerWaalsContact O-CB 3.27Å; Y891-F895 WeakPolarHBondContact O-CB 3.44Å; Y891-F895 PolarHBondContact O-N 2.95Å; A892-F895 PolarHBondContact O-N 3.13Å; F895-R897 PolarHBondContact O-N 2.67Å; F895-L898 PolarHBondContact O-N 2.75Å; F895-M899 HydrophobicContact CD1-CG 4.06Å; F895-M899 HydrophobicContact CD2-CG 4.17Å; F895-M899 HydrophobicContact CE1-CB 4.4Å; F895-M899 HydrophobicContact CE1-CG 3.75Å; F895-M899 HydrophobicContact CE2-CG 3.88Å; F895-M899 HydrophobicContact CE2-SD 4.49Å; F895-M899 HydrophobicContact CG-CG 4.26Å; F895-M899 HydrophobicContact CZ-CE 4.45Å; F895-M899 HydrophobicContact CZ-CG 3.66Å; F895-M899 HydrophobicContact CZ-SD 4.43Å; F895-M899 VanDerWaalsContact O-CB 3.27Å; F895-M899 WeakPolarHBondContact O-CB 3.33Å; F895-M899 VanDerWaalsContact O-CG 3.32Å; F895-M899 WeakPolarHBondContact O-CG 3.33Å; F895-M899 PolarHBondContact O-N 2.97Å; F895-V921 HydrophobicContact CD1-CG1 3.88Å; F895-V921 HydrophobicContact CE1-CB 3.89Å; F895-V921 HydrophobicContact CE1-CG1 3.42Å; F895-V921 VanDerWaalsContact CE1-CG1 3.42Å; F895-V921 HydrophobicContact CE1-CG2 4.39Å; F895-V921 HydrophobicContact CZ-CG1 3.96Å
896V91.8Very high87.7Confident21 Ų2149.7 Ų49.713%0.12727%0.274CS..Hα-helixtrans-60-46.8-179.8173.90000110.5A892 L898 M900 T918 E922A892-V896 WeakPolarHBondContact O-CB 3.42Å; A892-V896 VanDerWaalsContact O-CG2 3.27Å; A892-V896 WeakPolarHBondContact O-CG2 3.45Å; A892-V896 PolarHBondContact O-N 3.12Å; V896-L898 PolarHBondContact O-N 3.23Å; V896-M900 HydrophobicContact CG1-CE 4.47Å; V896-M900 HydrophobicContact CG1-CG 3.95Å; V896-M900 WeakPolarHBondContact O-CB 3.26Å; V896-M900 WeakPolarHBondContact O-CG 3.16Å; V896-M900 PolarHBondContact O-N 2.98Å; V896-T918 HydrophobicContact CG1-CG2 4.43Å; V896-T918 HydrophobicContact CG2-CG2 4.47Å; V896-E922 HydrophobicContact CG2-CB 3.69Å; V896-E922 HydrophobicContact CG2-CG 3.84Å
897R93.3Very high87.6Confident117 Ų11751.1 Ų51.144%0.44228%0.281SS..Hα-helixtrans-59.6-48.1179.1-178.5174.75573.60.7112.6D893 F895 Q901D893-R897 WeakPolarHBondContact O-CB 3.41Å; D893-R897 PolarHBondContact O-N 3.24Å; F895-R897 PolarHBondContact O-N 2.67Å; R897-Q901 WeakPolarHBondContact O-CB 3.21Å; R897-Q901 PolarHBondContact O-N 3.28Å; R897-Q901 VanDerWaalsContact O-N 3.14Å
898L92.2Very high87.3Confident22 Ų2255.8 Ų55.812%0.11530%0.3CS..Hα-helixtrans-70.3-45.6-178.7-70176.2000111.9K828 I831 T894 F895 V896 Q901 L902K828-L898 HydrophobicContact CG-CD1 4.45Å; I831-L898 HydrophobicContact CB-CD1 4.08Å; I831-L898 HydrophobicContact CD1-CD1 3.99Å; I831-L898 HydrophobicContact CG2-CB 3.99Å; I831-L898 HydrophobicContact CG2-CD1 4.15Å; T894-L898 HydrophobicContact CG2-CD1 3.96Å; T894-L898 WeakPolarHBondContact O-CB 3.29Å; T894-L898 WeakPolarHBondContact O-CG 3.42Å; T894-L898 PolarHBondContact O-N 3.4Å; F895-L898 PolarHBondContact O-N 2.75Å; V896-L898 PolarHBondContact O-N 3.23Å; L898-Q901 PolarHBondContact O-N 3.46Å; L898-L902 VanDerWaalsContact O-CG 3.3Å; L898-L902 WeakPolarHBondContact O-CG 3.49Å; L898-L902 PolarHBondContact O-N 3.22Å
899M92.9Very high86.9Confident2 Ų255.2 Ų55.21%0.0130%0.299CS..Hα-helixtrans-65.7-43.1179.7-70.9-63.3-70.100111.5I831 F834 F835 M838 F895 Q901 L902 C903 T918I831-M899 HydrophobicContact CG2-CG 4.08Å; I831-M899 HydrophobicContact CG2-SD 4.18Å; F834-M899 HydrophobicContact CB-SD 4.38Å; F835-M899 HydrophobicContact CB-CE 4.2Å; F835-M899 HydrophobicContact CB-SD 3.96Å; M838-M899 HydrophobicContact CE-CE 4.42Å; F895-M899 HydrophobicContact CD1-CG 4.06Å; F895-M899 HydrophobicContact CD2-CG 4.17Å; F895-M899 HydrophobicContact CE1-CB 4.4Å; F895-M899 HydrophobicContact CE1-CG 3.75Å; F895-M899 HydrophobicContact CE2-CG 3.88Å; F895-M899 HydrophobicContact CE2-SD 4.49Å; F895-M899 HydrophobicContact CG-CG 4.26Å; F895-M899 HydrophobicContact CZ-CE 4.45Å; F895-M899 HydrophobicContact CZ-CG 3.66Å; F895-M899 HydrophobicContact CZ-SD 4.43Å; F895-M899 VanDerWaalsContact O-CB 3.27Å; F895-M899 WeakPolarHBondContact O-CB 3.33Å; F895-M899 VanDerWaalsContact O-CG 3.32Å; F895-M899 WeakPolarHBondContact O-CG 3.33Å; F895-M899 PolarHBondContact O-N 2.97Å; M899-Q901 VanDerWaalsContact C-N 3.33Å; M899-Q901 PolarHBondContact O-N 2.66Å; M899-L902 PolarHBondContact O-N 3.24Å; M899-C903 WeakPolarHBondContact O-CB 3.21Å; M899-C903 PolarHBondContact O-N 3.22Å; M899-C903 PolarHBondContact O-SG 2.95Å; M899-T918 HydrophobicContact CB-CG2 3.74Å
900M92.3Very high86.9Confident46 Ų4652.2 Ų52.223%0.22727%0.274CS..Hα-helixtrans-60.6-42.7174.9-73.5-68.5-16100111.7V896 S904 M915 T918 R919V896-M900 HydrophobicContact CG1-CE 4.47Å; V896-M900 HydrophobicContact CG1-CG 3.95Å; V896-M900 WeakPolarHBondContact O-CB 3.26Å; V896-M900 WeakPolarHBondContact O-CG 3.16Å; V896-M900 PolarHBondContact O-N 2.98Å; M900-S904 VanDerWaalsContact O-CB 3.23Å; M900-S904 WeakPolarHBondContact O-CB 3.41Å; M900-S904 PolarHBondContact O-N 3.13Å; M900-S904 PolarHBondContact O-OG 3.48Å; M900-M915 HydrophobicContact SD-CB 4.43Å; M900-M915 HydrophobicContact SD-CG 3.99Å; M900-T918 HydrophobicContact CE-CG2 4.31Å; M900-T918 HydrophobicContact CG-CG2 4.01Å; M900-T918 HydrophobicContact SD-CG2 4.26Å; M900-R919 HydrophobicContact CE-CG 3.8Å
901Q91.3Very high86.8Confident122 Ų12248 Ų4857%0.5725%0.254SS*.Hα-helixtrans-61.4-48.2176.8-176.1179.2-2.900111.4R897 L898 M899 S904 S905R897-Q901 WeakPolarHBondContact O-CB 3.21Å; R897-Q901 PolarHBondContact O-N 3.28Å; R897-Q901 VanDerWaalsContact O-N 3.14Å; L898-Q901 PolarHBondContact O-N 3.46Å; M899-Q901 VanDerWaalsContact C-N 3.33Å; M899-Q901 PolarHBondContact O-N 2.66Å; Q901-S904 PolarHBondContact O-N 3.31Å; Q901-S904 PolarHBondContact O-OG 3.14Å; Q901-S905 PolarHBondContact O-N 3.14Å
902L90.7Very high86.6Confident46 Ų4654 Ų5424%0.24128%0.282CS..Hα-helixtrans-64.2-47.3179.3-68.3168.9000111.7P832 F835 L898 M899 S904 S905P832-L902 HydrophobicContact CB-CD1 3.9Å; P832-L902 HydrophobicContact CG-CD1 4.23Å; F835-L902 HydrophobicContact CB-CB 4.23Å; F835-L902 HydrophobicContact CB-CD1 3.71Å; F835-L902 HydrophobicContact CD1-CB 3.9Å; F835-L902 HydrophobicContact CD1-CD1 4.27Å; F835-L902 HydrophobicContact CD1-CD2 4.45Å; F835-L902 HydrophobicContact CD1-CG 4.43Å; F835-L902 HydrophobicContact CD2-CB 3.65Å; F835-L902 HydrophobicContact CE1-CB 4.15Å; F835-L902 HydrophobicContact CE2-CB 3.95Å; F835-L902 HydrophobicContact CG-CB 3.64Å; F835-L902 HydrophobicContact CG-CD1 3.98Å; F835-L902 HydrophobicContact CG-CG 4.34Å; F835-L902 HydrophobicContact CZ-CB 4.18Å; L898-L902 VanDerWaalsContact O-CG 3.3Å; L898-L902 WeakPolarHBondContact O-CG 3.49Å; L898-L902 PolarHBondContact O-N 3.22Å; M899-L902 PolarHBondContact O-N 3.24Å; L902-S904 VanDerWaalsContact C-N 3.35Å; L902-S904 PolarHBondContact O-N 3.01Å; L902-S905 PolarHBondContact O-N 2.96Å; L902-S905 PolarHBondContact O-OG 3.46Å
903C89Confident86.4Confident0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-59.1-44.8176.9-64.30000111.8F835 M899 S905 H906 R911 G914 M915F835-C903 HydrophobicContact CE2-CB 4.47Å; M899-C903 WeakPolarHBondContact O-CB 3.21Å; M899-C903 PolarHBondContact O-N 3.22Å; M899-C903 PolarHBondContact O-SG 2.95Å; C903-S905 PolarHBondContact O-N 3.44Å; C903-H906 PolarHBondContact O-N 3.01Å; C903-H906 VanDerWaalsContact O-N 3.12Å; C903-R911 VanDerWaalsContact O-CG 3.3Å; C903-R911 WeakPolarHBondContact O-CG 3.28Å; C903-G914 VanDerWaalsContact SG-C 3.54Å; C903-M915 HydrophobicContact CB-CG 4.07Å
904S86.6Confident86.3Confident67 Ų6748.3 Ų48.347%0.46925%0.249SC..Hα-helixtrans-61.2-25.3-178.5710000114.2M900 Q901 L902 H906M900-S904 VanDerWaalsContact O-CB 3.23Å; M900-S904 WeakPolarHBondContact O-CB 3.41Å; M900-S904 PolarHBondContact O-N 3.13Å; M900-S904 PolarHBondContact O-OG 3.48Å; Q901-S904 PolarHBondContact O-N 3.31Å; Q901-S904 PolarHBondContact O-OG 3.14Å; L902-S904 VanDerWaalsContact C-N 3.35Å; L902-S904 PolarHBondContact O-N 3.01Å; S904-H906 VanDerWaalsContact C-N 3.33Å
905S83.2Confident86.3Confident95 Ų9549.5 Ų49.566%0.66425%0.254SS*.THydrogen-bonded Turntrans-83-6.2-179.872.20000114.2Q901 L902 C903Q901-S905 PolarHBondContact O-N 3.14Å; L902-S905 PolarHBondContact O-N 2.96Å; L902-S905 PolarHBondContact O-OG 3.46Å; C903-S905 PolarHBondContact O-N 3.44Å
906H81.4Confident86.2Confident44 Ų4452 Ų5220%0.20426%0.263CS..SBendtrans-104.1173.2-172.5-151.7-83.9000113.4F835 Y843 C903 S904 L910F835-H906 HydrophobicContact CZ-CB 4.17Å; Y843-H906 AromaticContact CE2-CE1 3.92Å; Y843-H906 AromaticContact CE2-NE2 3.99Å; Y843-H906 AromaticContact CZ-CE1 3.77Å; Y843-H906 PolarHBondContact OH-CE1 3.29Å; Y843-H906 PolarHBondContact OH-NE2 3.33Å; C903-H906 PolarHBondContact O-N 3.01Å; C903-H906 VanDerWaalsContact O-N 3.12Å; S904-H906 VanDerWaalsContact C-N 3.33Å; H906-L910 WeakPolarHBondContact CE1-CD2 3.32Å; H906-L910 WeakPolarHBondContact ND1-CD2 3.48Å
907T78.8Confident86.1Confident76 Ų7651.1 Ų51.147%0.46626%0.258SS..  trans-59.8149.9179.156.10000113.7P909 L910 R911T907-P909 VanDerWaalsContact C-CD 3.49Å; T907-L910 PolarHBondContact O-N 2.94Å; T907-R911 WeakPolarHBondContact O-CB 3.49Å; T907-R911 PolarHBondContact O-N 3.44Å
908E72.9Confident86Confident110 Ų11045.6 Ų45.651%0.51424%0.238SC..Hα-helixtrans-41.5-53.4-173.9-75.2-86.6143.300115.3L910 R911 E912E908-L910 PolarHBondContact O-N 3.44Å; E908-R911 VanDerWaalsContact CD-CZ 3.5Å; E908-R911 VanDerWaalsContact CD-NH1 3.25Å; E908-R911 PolarHBondContact O-N 3.36Å; E908-R911 IonicContact OE1-CZ 2.96Å; E908-R911 IonicContact OE1-NH1 3.52Å; E908-R911 PolarHBondContact OE1-NH1 3.49Å; E908-R911 IonicContact OE1-NH2 3.35Å; E908-R911 PolarHBondContact OE1-NH2 2.96Å; E908-R911 IonicContact OE2-CZ 2.7Å; E908-R911 IonicContact OE2-NH1 3.61Å; E908-R911 IonicContact OE2-NH2 2.85Å; E908-R911 PolarHBondContact OE2-NH2 2.97Å; E908-E912 PolarHBondContact O-N 3.14Å
909P74.3Confident86Confident35 Ų3551 Ų5123%0.22726%0.256CS..Hα-helixtrans-73.2-36.4-171-6.321.5000112.4F842 Y863 T907 E913F842-P909 HydrophobicContact CE2-CB 4.23Å; F842-P909 HydrophobicContact CZ-CB 3.9Å; F842-P909 HydrophobicContact CZ-CG 4.46Å; Y863-P909 HydrophobicContact CD1-CB 3.53Å; Y863-P909 HydrophobicContact CD2-CB 4.45Å; Y863-P909 HydrophobicContact CE1-CB 3.43Å; Y863-P909 VanDerWaalsContact CE1-CB 3.43Å; Y863-P909 HydrophobicContact CE1-CG 4Å; Y863-P909 HydrophobicContact CE2-CB 4.37Å; Y863-P909 HydrophobicContact CG-CB 4.05Å; T907-P909 VanDerWaalsContact C-CD 3.49Å; P909-E913 WeakPolarHBondContact O-CB 3.16Å; P909-E913 PolarHBondContact O-N 3.44Å
910L81.2Confident85.9Confident0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-74.3-32.4174.7-176.858.6000111.5M838 V839 F842 H906 T907 E908 G914M838-L910 HydrophobicContact CE-CD1 4.24Å; M838-L910 HydrophobicContact CG-CD1 4.06Å; V839-L910 HydrophobicContact CB-CD2 4.22Å; V839-L910 HydrophobicContact CG2-CD2 3.54Å; F842-L910 HydrophobicContact CB-CD1 3.83Å; F842-L910 HydrophobicContact CD1-CB 4.2Å; F842-L910 HydrophobicContact CD1-CD1 4.32Å; F842-L910 HydrophobicContact CD1-CD2 4.41Å; F842-L910 HydrophobicContact CD2-CB 4.32Å; F842-L910 HydrophobicContact CD2-CD1 3.82Å; F842-L910 HydrophobicContact CE1-CB 4.14Å; F842-L910 HydrophobicContact CE2-CB 4.24Å; F842-L910 HydrophobicContact CG-CB 4.32Å; F842-L910 HydrophobicContact CG-CD1 3.73Å; F842-L910 HydrophobicContact CG-CG 4.41Å; F842-L910 HydrophobicContact CZ-CB 4.18Å; H906-L910 WeakPolarHBondContact CE1-CD2 3.32Å; H906-L910 WeakPolarHBondContact ND1-CD2 3.48Å; T907-L910 PolarHBondContact O-N 2.94Å; E908-L910 PolarHBondContact O-N 3.44Å; L910-G914 WeakPolarHBondContact O-CA 3.48Å; L910-G914 PolarHBondContact O-N 2.91Å
911R85Confident85.9Confident60 Ų6049.6 Ų49.623%0.22625%0.25CS..Hα-helixtrans-62.9-48.8176.5-177.2-176.379.1-128.9-4111.1C903 T907 E908 M915C903-R911 VanDerWaalsContact O-CG 3.3Å; C903-R911 WeakPolarHBondContact O-CG 3.28Å; T907-R911 WeakPolarHBondContact O-CB 3.49Å; T907-R911 PolarHBondContact O-N 3.44Å; E908-R911 VanDerWaalsContact CD-CZ 3.5Å; E908-R911 VanDerWaalsContact CD-NH1 3.25Å; E908-R911 PolarHBondContact O-N 3.36Å; E908-R911 IonicContact OE1-CZ 2.96Å; E908-R911 IonicContact OE1-NH1 3.52Å; E908-R911 PolarHBondContact OE1-NH1 3.49Å; E908-R911 IonicContact OE1-NH2 3.35Å; E908-R911 PolarHBondContact OE1-NH2 2.96Å; E908-R911 IonicContact OE2-CZ 2.7Å; E908-R911 IonicContact OE2-NH1 3.61Å; E908-R911 IonicContact OE2-NH2 2.85Å; E908-R911 PolarHBondContact OE2-NH2 2.97Å; R911-M915 HydrophobicContact CG-CE 3.67Å; R911-M915 HydrophobicContact CG-SD 4.16Å; R911-M915 VanDerWaalsContact O-CB 3.31Å; R911-M915 WeakPolarHBondContact O-CB 3.47Å; R911-M915 WeakPolarHBondContact O-CG 3.35Å; R911-M915 PolarHBondContact O-N 2.9Å
912E83.6Confident86Confident125 Ų12548 Ų4858%0.58424%0.243SC*.Hα-helixtrans-62.1-46.6178-71-170.3158.700111.7E908 M915 R916E908-E912 PolarHBondContact O-N 3.14Å; E912-M915 PolarHBondContact O-N 2.98Å; E912-R916 PolarHBondContact O-N 3.33Å
913E82.9Confident86Confident10 Ų1050.4 Ų50.45%0.04726%0.256CS..Hα-helixtrans-68.5-44.6-178-165.759.7-161.100112R864 V867 P909 M915 R916 V917R864-E913 WeakPolarHBondContact CA-OE1 3.28Å; R864-E913 WeakPolarHBondContact CA-OE2 3.23Å; V867-E913 HydrophobicContact CG2-CG 3.93Å; P909-E913 WeakPolarHBondContact O-CB 3.16Å; P909-E913 PolarHBondContact O-N 3.44Å; E913-M915 PolarHBondContact O-N 3.46Å; E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3Å; E913-R916 VanDerWaalsContact O-N 3.1Å; E913-R916 IonicContact OE1-CZ 2.79Å; E913-R916 VanDerWaalsContact OE1-CZ 3.26Å; E913-R916 IonicContact OE1-NE 3.26Å; E913-R916 PolarHBondContact OE1-NE 2.94Å; E913-R916 IonicContact OE1-NH2 3.94Å; E913-R916 PolarHBondContact OE1-NH2 3.37Å; E913-R916 IonicContact OE2-NE 2.63Å; E913-R916 PolarHBondContact OE2-NE 3.39Å; E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 3.17Å
914G86.7Confident86.3Confident0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-65.2-36.1177.100000113.4M838 C903 L910 R916 T918M838-G914 WeakPolarHBondContact SD-CA 3.23Å; C903-G914 VanDerWaalsContact SG-C 3.54Å; L910-G914 WeakPolarHBondContact O-CA 3.48Å; L910-G914 PolarHBondContact O-N 2.91Å; G914-R916 VanDerWaalsContact C-N 3.34Å; G914-T918 WeakPolarHBondContact O-CB 3.17Å; G914-T918 PolarHBondContact O-N 2.9Å; G914-T918 PolarHBondContact O-OG1 3.36Å
915M89.5Confident86.4Confident38 Ų3847.3 Ų47.319%0.18723%0.234CC..Hα-helixtrans-66.9-35.1171.8-74.4-178.3-178.100112M900 C903 R911 E912 E913 R919M900-M915 HydrophobicContact SD-CB 4.43Å; M900-M915 HydrophobicContact SD-CG 3.99Å; C903-M915 HydrophobicContact CB-CG 4.07Å; R911-M915 HydrophobicContact CG-CE 3.67Å; R911-M915 HydrophobicContact CG-SD 4.16Å; R911-M915 VanDerWaalsContact O-CB 3.31Å; R911-M915 WeakPolarHBondContact O-CB 3.47Å; R911-M915 WeakPolarHBondContact O-CG 3.35Å; R911-M915 PolarHBondContact O-N 2.9Å; E912-M915 PolarHBondContact O-N 2.98Å; E913-M915 PolarHBondContact O-N 3.46Å; M915-R919 VanDerWaalsContact O-CG 3.3Å; M915-R919 WeakPolarHBondContact O-CG 3.23Å; M915-R919 PolarHBondContact O-N 3.01Å
916R90.7Very high86.7Confident55 Ų5544.3 Ų44.321%0.20822%0.218CC..Hα-helixtrans-64.6-49.7174.6-175-160.465.368.1-4.8111.3E871 E912 E913 G914 T918 R919 T920E871-R916 IonicContact OE1-CZ 3.71Å; E871-R916 IonicContact OE1-NH1 3.87Å; E871-R916 PolarHBondContact OE1-NH1 3.43Å; E871-R916 IonicContact OE1-NH2 2.7Å; E871-R916 PolarHBondContact OE1-NH2 2.91Å; E871-R916 IonicContact OE2-CZ 3.35Å; E871-R916 IonicContact OE2-NH1 3.75Å; E871-R916 IonicContact OE2-NH2 3.9Å; E871-R916 PolarHBondContact OE2-NH2 3.29Å; E912-R916 PolarHBondContact O-N 3.33Å; E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3Å; E913-R916 VanDerWaalsContact O-N 3.1Å; E913-R916 IonicContact OE1-CZ 2.79Å; E913-R916 VanDerWaalsContact OE1-CZ 3.26Å; E913-R916 IonicContact OE1-NE 3.26Å; E913-R916 PolarHBondContact OE1-NE 2.94Å; E913-R916 IonicContact OE1-NH2 3.94Å; E913-R916 PolarHBondContact OE1-NH2 3.37Å; E913-R916 IonicContact OE2-NE 2.63Å; E913-R916 PolarHBondContact OE2-NE 3.39Å; G914-R916 VanDerWaalsContact C-N 3.34Å; R916-T918 VanDerWaalsContact C-N 3.32Å; R916-T918 PolarHBondContact O-N 3.46Å; R916-R919 PolarHBondContact O-N 3.1Å; R916-T920 PolarHBondContact O-N 3.4Å; R916-T920 PolarHBondContact O-OG1 2.79Å
917V89.6Confident87.1Confident4 Ų445.4 Ų45.42%0.02422%0.22CC..Hα-helixtrans-59.7-45.4177.2175.60000110.1E871 E913 R919 T920 V921E871-V917 HydrophobicContact CG-CG1 4.33Å; E871-V917 HydrophobicContact CG-CG2 4.44Å; E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 3.17Å; V917-R919 PolarHBondContact O-N 3.2Å; V917-T920 WeakPolarHBondContact O-CB 3.45Å; V917-T920 PolarHBondContact O-N 3.02Å; V917-T920 VanDerWaalsContact O-N 3.09Å; V917-V921 HydrophobicContact CG1-CG2 4.43Å; V917-V921 WeakPolarHBondContact O-CG2 3.4Å; V917-V921 PolarHBondContact O-N 2.92Å
918T91.6Very high87.7Confident1 Ų141.9 Ų41.91%0.00620%0.198CC..Hα-helixtrans-59.8-44179.2-56.50000112.3V896 M899 M900 G914 R916 T920 V921 E922V896-T918 HydrophobicContact CG1-CG2 4.43Å; V896-T918 HydrophobicContact CG2-CG2 4.47Å; M899-T918 HydrophobicContact CB-CG2 3.74Å; M900-T918 HydrophobicContact CE-CG2 4.31Å; M900-T918 HydrophobicContact CG-CG2 4.01Å; M900-T918 HydrophobicContact SD-CG2 4.26Å; G914-T918 WeakPolarHBondContact O-CB 3.17Å; G914-T918 PolarHBondContact O-N 2.9Å; G914-T918 PolarHBondContact O-OG1 3.36Å; R916-T918 VanDerWaalsContact C-N 3.32Å; R916-T918 PolarHBondContact O-N 3.46Å; T918-T920 VanDerWaalsContact C-N 3.33Å; T918-T920 PolarHBondContact O-N 3.36Å; T918-V921 PolarHBondContact O-N 3.16Å; T918-E922 WeakPolarHBondContact O-CB 3.34Å; T918-E922 PolarHBondContact O-N 2.86Å
919R91.7Very high88.3Confident135 Ų13538 Ų3851%0.50918%0.181SC..Hα-helixtrans-65-35.9174.7-73.3173.7-176.2139.81.8112.6M900 M915 R916 V917 E922 L923M900-R919 HydrophobicContact CE-CG 3.8Å; M915-R919 VanDerWaalsContact O-CG 3.3Å; M915-R919 WeakPolarHBondContact O-CG 3.23Å; M915-R919 PolarHBondContact O-N 3.01Å; R916-R919 PolarHBondContact O-N 3.1Å; V917-R919 PolarHBondContact O-N 3.2Å; R919-E922 PolarHBondContact O-N 3.09Å; R919-L923 WeakPolarHBondContact O-CG 3.45Å; R919-L923 PolarHBondContact O-N 3.02Å; R919-L923 VanDerWaalsContact O-N 3.09Å
920T91.2Very high88.8Confident17 Ų1740.6 Ų40.610%0.10419%0.193CC..Hα-helixtrans-64.3-46.2176.4-54.60000110I875 R916 V917 T918 L923 L924 F954 I958I875-T920 HydrophobicContact CD1-CG2 4.26Å; R916-T920 PolarHBondContact O-N 3.4Å; R916-T920 PolarHBondContact O-OG1 2.79Å; V917-T920 WeakPolarHBondContact O-CB 3.45Å; V917-T920 PolarHBondContact O-N 3.02Å; V917-T920 VanDerWaalsContact O-N 3.09Å; T918-T920 VanDerWaalsContact C-N 3.33Å; T918-T920 PolarHBondContact O-N 3.36Å; T920-L923 PolarHBondContact O-N 2.93Å; T920-L924 WeakPolarHBondContact O-CB 3.19Å; T920-L924 PolarHBondContact O-N 3.08Å; T920-F954 HydrophobicContact CG2-CE1 4.48Å; T920-F954 HydrophobicContact CG2-CZ 3.82Å; T920-F954 WeakPolarHBondContact O-CZ 3.38Å; T920-I958 HydrophobicContact CG2-CG2 3.9Å
921V92Very high89.1Confident1 Ų141.6 Ų41.61%0.00620%0.197CC..Hα-helixtrans-63.8-41175.4172.70000111.9F874 L878 F895 V917 T918 L923 L924 I925F874-V921 HydrophobicContact CD1-CG2 3.83Å; F874-V921 HydrophobicContact CE1-CB 4.42Å; F874-V921 HydrophobicContact CE1-CG1 3.73Å; F874-V921 HydrophobicContact CE1-CG2 3.72Å; F874-V921 HydrophobicContact CZ-CG1 4.48Å; L878-V921 HydrophobicContact CD2-CG1 4Å; F895-V921 HydrophobicContact CD1-CG1 3.88Å; F895-V921 HydrophobicContact CE1-CB 3.89Å; F895-V921 HydrophobicContact CE1-CG1 3.42Å; F895-V921 VanDerWaalsContact CE1-CG1 3.42Å; F895-V921 HydrophobicContact CE1-CG2 4.39Å; F895-V921 HydrophobicContact CZ-CG1 3.96Å; V917-V921 HydrophobicContact CG1-CG2 4.43Å; V917-V921 WeakPolarHBondContact O-CG2 3.4Å; V917-V921 PolarHBondContact O-N 2.92Å; T918-V921 PolarHBondContact O-N 3.16Å; V921-L923 PolarHBondContact O-N 2.92Å; V921-L924 PolarHBondContact O-N 3.18Å; V921-I925 HydrophobicContact CG1-CD1 3.64Å; V921-I925 HydrophobicContact CG1-CG1 4.12Å; V921-I925 VanDerWaalsContact O-CG1 3.28Å; V921-I925 WeakPolarHBondContact O-CG1 3.33Å; V921-I925 PolarHBondContact O-N 2.99Å
922E92.9Very high89.1Confident88 Ų8840.7 Ų40.741%0.41119%0.194SC..Hα-helixtrans-55.4-52.3175.3179.8178.6-160.300111.8V896 T918 R919 L924 I925 G926V896-E922 HydrophobicContact CG2-CB 3.69Å; V896-E922 HydrophobicContact CG2-CG 3.84Å; T918-E922 WeakPolarHBondContact O-CB 3.34Å; T918-E922 PolarHBondContact O-N 2.86Å; R919-E922 PolarHBondContact O-N 3.09Å; E922-L924 VanDerWaalsContact C-N 3.32Å; E922-L924 PolarHBondContact O-N 3.08Å; E922-I925 PolarHBondContact O-N 3.4Å; E922-G926 PolarHBondContact O-N 2.92Å; E922-G926 VanDerWaalsContact O-N 3.15Å
923L91.9Very high89Confident98 Ų9837 Ų3751%0.51319%0.185SC..Hα-helixtrans-63.3-39.1178.2-68.3173.3000111.8R919 T920 V921 G926 R927 F954R919-L923 WeakPolarHBondContact O-CG 3.45Å; R919-L923 PolarHBondContact O-N 3.02Å; R919-L923 VanDerWaalsContact O-N 3.09Å; T920-L923 PolarHBondContact O-N 2.93Å; V921-L923 PolarHBondContact O-N 2.92Å; L923-G926 PolarHBondContact O-N 3.42Å; L923-R927 WeakPolarHBondContact O-CG 3.32Å; L923-R927 PolarHBondContact O-N 2.92Å; L923-R927 VanDerWaalsContact O-N 3.08Å; L923-F954 HydrophobicContact CB-CE2 3.82Å; L923-F954 HydrophobicContact CB-CZ 4.31Å
924L94Very high88.7Confident0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-64.6-48.1178.317856.5000111.9I875 L878 T920 V921 E922 G926 R927 L928 L951 F954 Y955I875-L924 HydrophobicContact CB-CD2 4.15Å; I875-L924 HydrophobicContact CG1-CD2 3.95Å; I875-L924 HydrophobicContact CG2-CD2 3.75Å; L878-L924 HydrophobicContact CD2-CD2 3.9Å; L878-L924 HydrophobicContact CD2-CG 4.24Å; T920-L924 WeakPolarHBondContact O-CB 3.19Å; T920-L924 PolarHBondContact O-N 3.08Å; V921-L924 PolarHBondContact O-N 3.18Å; E922-L924 VanDerWaalsContact C-N 3.32Å; E922-L924 PolarHBondContact O-N 3.08Å; L924-G926 VanDerWaalsContact C-N 3.29Å; L924-G926 PolarHBondContact O-N 3.32Å; L924-R927 PolarHBondContact O-N 2.89Å; L924-L928 HydrophobicContact CD1-CD1 3.7Å; L924-L928 HydrophobicContact CD1-CD2 4.41Å; L924-L928 HydrophobicContact CD1-CG 3.76Å; L924-L928 HydrophobicContact CD2-CD1 4.4Å; L924-L928 HydrophobicContact CG-CD1 3.72Å; L924-L928 HydrophobicContact CG-CG 4.23Å; L924-L928 WeakPolarHBondContact O-CB 3.25Å; L924-L928 WeakPolarHBondContact O-CG 3.23Å; L924-L928 PolarHBondContact O-N 3.42Å; L924-L951 HydrophobicContact CD1-CD2 4.16Å; L924-F954 HydrophobicContact CB-CE1 3.64Å; L924-F954 HydrophobicContact CB-CZ 3.86Å; L924-F954 HydrophobicContact CD1-CD1 3.91Å; L924-F954 HydrophobicContact CD1-CE1 3.74Å; L924-F954 HydrophobicContact CD2-CE1 4.38Å; L924-F954 HydrophobicContact CG-CE1 4.11Å; L924-Y955 HydrophobicContact CD1-CE1 3.91Å; L924-Y955 WeakPolarHBondContact CD1-OH 3.42Å
925I90.6Very high88.4Confident1 Ų142.3 Ų42.31%0.00521%0.206CC..Hα-helixtrans-59.1-44.7178.8-66.2167.6000109.8L878 I882 Y891 A892 V921 E922 R927 L928 L929L878-I925 HydrophobicContact CD1-CG1 4.46Å; L878-I925 HydrophobicContact CD2-CD1 4.37Å; L878-I925 HydrophobicContact CD2-CG1 3.73Å; L878-I925 HydrophobicContact CG-CG1 4.48Å; I882-I925 HydrophobicContact CD1-CG1 4.16Å; I882-I925 HydrophobicContact CD1-CG2 4.25Å; Y891-I925 HydrophobicContact CD1-CD1 4.12Å; Y891-I925 HydrophobicContact CE1-CD1 3.99Å; A892-I925 HydrophobicContact CB-CB 4.37Å; A892-I925 HydrophobicContact CB-CD1 4.36Å; A892-I925 HydrophobicContact CB-CG2 3.72Å; V921-I925 HydrophobicContact CG1-CD1 3.64Å; V921-I925 HydrophobicContact CG1-CG1 4.12Å; V921-I925 VanDerWaalsContact O-CG1 3.28Å; V921-I925 WeakPolarHBondContact O-CG1 3.33Å; V921-I925 PolarHBondContact O-N 2.99Å; E922-I925 PolarHBondContact O-N 3.4Å; I925-R927 PolarHBondContact O-N 3.05Å; I925-L928 PolarHBondContact O-N 3.31Å; I925-L929 HydrophobicContact CG2-CD1 3.76Å; I925-L929 HydrophobicContact CG2-CG 4.08Å; I925-L929 WeakPolarHBondContact O-CB 3.31Å; I925-L929 VanDerWaalsContact O-CG 3.24Å; I925-L929 WeakPolarHBondContact O-CG 3.49Å; I925-L929 PolarHBondContact O-N 3.46Å
926G87.9Confident87.6Confident32 Ų3245.7 Ų45.733%0.3323%0.225SC..Hα-helixtrans-55.2-53.1175.400000112.4E922 L923 L924 L928 L929 D930E922-G926 PolarHBondContact O-N 2.92Å; E922-G926 VanDerWaalsContact O-N 3.15Å; L923-G926 PolarHBondContact O-N 3.42Å; L924-G926 VanDerWaalsContact C-N 3.29Å; L924-G926 PolarHBondContact O-N 3.32Å; G926-L928 PolarHBondContact O-N 3.1Å; G926-L929 PolarHBondContact O-N 3.12Å; G926-D930 PolarHBondContact O-N 3.43Å
927R90.1Very high86.2Confident67 Ų6750.5 Ų50.525%0.25325%0.249SC..Hα-helixtrans-63.5-37.8179.5-67-176.4-167-1569.2113L923 L924 I925 F931 S950 L951 F954L923-R927 WeakPolarHBondContact O-CG 3.32Å; L923-R927 PolarHBondContact O-N 2.92Å; L923-R927 VanDerWaalsContact O-N 3.08Å; L924-R927 PolarHBondContact O-N 2.89Å; I925-R927 PolarHBondContact O-N 3.05Å; R927-F931 VanDerWaalsContact O-CB 3.3Å; R927-F931 WeakPolarHBondContact O-CB 3.4Å; R927-F931 PolarHBondContact O-N 3.1Å; R927-S950 PolarHBondContact NH1-O 2.88Å; R927-L951 HydrophobicContact CB-CD2 3.56Å; R927-L951 HydrophobicContact CB-CG 4.14Å; R927-F954 VanDerWaalsContact NH1-CB 3.28Å
928L91.2Very high84.8Confident2 Ų253.3 Ų53.31%0.0126%0.262CS..Hα-helixtrans-69.4-38.1177.3-72.4172.9000112.1L878 D879 I882 L924 I925 G926 F931 R932 L951L878-L928 HydrophobicContact CG-CD1 4.39Å; D879-L928 WeakPolarHBondContact OD1-CD2 3.43Å; I882-L928 HydrophobicContact CB-CB 4.27Å; I882-L928 HydrophobicContact CB-CD1 4.25Å; I882-L928 HydrophobicContact CD1-CB 4.3Å; I882-L928 HydrophobicContact CD1-CD1 3.96Å; I882-L928 HydrophobicContact CG2-CB 3.76Å; L924-L928 HydrophobicContact CD1-CD1 3.7Å; L924-L928 HydrophobicContact CD1-CD2 4.41Å; L924-L928 HydrophobicContact CD1-CG 3.76Å; L924-L928 HydrophobicContact CD2-CD1 4.4Å; L924-L928 HydrophobicContact CG-CD1 3.72Å; L924-L928 HydrophobicContact CG-CG 4.23Å; L924-L928 WeakPolarHBondContact O-CB 3.25Å; L924-L928 WeakPolarHBondContact O-CG 3.23Å; L924-L928 PolarHBondContact O-N 3.42Å; I925-L928 PolarHBondContact O-N 3.31Å; G926-L928 PolarHBondContact O-N 3.1Å; L928-F931 PolarHBondContact O-N 3.34Å; L928-R932 WeakPolarHBondContact O-CB 3.19Å; L928-R932 PolarHBondContact O-N 2.93Å; L928-L951 HydrophobicContact CD2-CD1 3.99Å; L928-L951 HydrophobicContact CD2-CD2 3.92Å; L928-L951 HydrophobicContact CG-CD2 4.18Å
929L87Confident83.5Confident29 Ų2961.3 Ų61.315%0.15230%0.304CS..Hα-helixtrans-66.4-42.1174.7-71.6177.6000111.4I882 A889 I925 G926 R932 A933I882-L929 HydrophobicContact CG2-CD2 4.29Å; A889-L929 HydrophobicContact CB-CD1 4.4Å; I925-L929 HydrophobicContact CG2-CD1 3.76Å; I925-L929 HydrophobicContact CG2-CG 4.08Å; I925-L929 WeakPolarHBondContact O-CB 3.31Å; I925-L929 VanDerWaalsContact O-CG 3.24Å; I925-L929 WeakPolarHBondContact O-CG 3.49Å; I925-L929 PolarHBondContact O-N 3.46Å; G926-L929 PolarHBondContact O-N 3.12Å; L929-R932 VanDerWaalsContact CD2-NH2 3.28Å; L929-R932 PolarHBondContact O-N 3.4Å; L929-A933 WeakPolarHBondContact O-CB 3.49Å; L929-A933 PolarHBondContact O-N 3.25Å
930D84.4Confident82.8Confident90 Ų9055.4 Ų55.448%0.48128%0.283SS..Hα-helixtrans-61.2-47.3173.9-73.1-20.3000111.2G926 R932 A933 V934G926-D930 PolarHBondContact O-N 3.43Å; D930-R932 VanDerWaalsContact C-N 3.34Å; D930-R932 PolarHBondContact O-N 3.3Å; D930-A933 PolarHBondContact O-N 3.42Å; D930-V934 WeakPolarHBondContact O-CG2 3.45Å; D930-V934 PolarHBondContact O-N 3.43Å
931F86.6Confident82.3Confident20 Ų2055.7 Ų55.79%0.08828%0.284CS..Hα-helixtrans-57.9-44.5176178.7-97.5000112.1R927 L928 R935 C947 T948 L951 Y967R927-F931 VanDerWaalsContact O-CB 3.3Å; R927-F931 WeakPolarHBondContact O-CB 3.4Å; R927-F931 PolarHBondContact O-N 3.1Å; L928-F931 PolarHBondContact O-N 3.34Å; F931-R935 WeakPolarHBondContact O-CB 3.48Å; F931-R935 PolarHBondContact O-N 3.49Å; F931-C947 HydrophobicContact CB-CB 4.4Å; F931-C947 HydrophobicContact CD2-CB 4.03Å; F931-T948 WeakPolarHBondContact CE2-OG1 3.17Å; F931-L951 HydrophobicContact CB-CD1 3.52Å; F931-L951 HydrophobicContact CD1-CD1 4.13Å; F931-L951 HydrophobicContact CD2-CD1 3.74Å; F931-L951 HydrophobicContact CE2-CD1 4.5Å; F931-L951 HydrophobicContact CG-CD1 3.53Å; F931-Y967 HydrophobicContact CD2-CE1 4.41Å; F931-Y967 HydrophobicContact CE1-CE1 4.39Å; F931-Y967 HydrophobicContact CE2-CE1 4.05Å; F931-Y967 HydrophobicContact CZ-CE1 4.05Å
932R85.6Confident81.8Confident41 Ų4156.5 Ų56.516%0.15529%0.288CS..Hα-helixtrans-64.5-43.9176.1-175.5177.474.9-1775.1112I882 G885 S886 G887 L928 L929 D930 R935 L936I882-R932 WeakPolarHBondContact O-CD 3.48Å; G885-R932 PolarHBondContact O-NH1 3.26Å; S886-R932 PolarHBondContact O-NH1 3.36Å; G887-R932 PolarHBondContact O-NH1 2.96Å; G887-R932 PolarHBondContact O-NH2 3.46Å; L928-R932 WeakPolarHBondContact O-CB 3.19Å; L928-R932 PolarHBondContact O-N 2.93Å; L929-R932 VanDerWaalsContact CD2-NH2 3.28Å; L929-R932 PolarHBondContact O-N 3.4Å; D930-R932 VanDerWaalsContact C-N 3.34Å; D930-R932 PolarHBondContact O-N 3.3Å; R932-R935 PolarHBondContact O-N 3Å; R932-L936 HydrophobicContact CG-CD1 3.74Å; R932-L936 HydrophobicContact CG-CG 4.42Å; R932-L936 WeakPolarHBondContact O-CB 3.32Å; R932-L936 WeakPolarHBondContact O-CG 3.25Å; R932-L936 PolarHBondContact O-N 3.32Å
933A80.5Confident81.3Confident48 Ų4852.3 Ų52.340%0.39727%0.269SS..Hα-helixtrans-62-45.2-179.600000111.4L929 D930 L936 H937L929-A933 WeakPolarHBondContact O-CB 3.49Å; L929-A933 PolarHBondContact O-N 3.25Å; D930-A933 PolarHBondContact O-N 3.42Å; A933-L936 PolarHBondContact O-N 2.82Å; A933-H937 WeakPolarHBondContact O-CB 3.48Å; A933-H937 PolarHBondContact O-N 2.97Å
934V77.8Confident81Confident15 Ų1551.3 Ų51.39%0.09126%0.258CS..Hα-helixtrans-65.8-40.5176.8176.10000111.1D930 L936 H938 N943 R944D930-V934 WeakPolarHBondContact O-CG2 3.45Å; D930-V934 PolarHBondContact O-N 3.43Å; V934-L936 PolarHBondContact O-N 3.39Å; V934-H938 HydrophobicContact CG1-CB 4.08Å; V934-H938 CarbonylContact O-C 3.39Å; V934-H938 WeakPolarHBondContact O-CA 3.46Å; V934-H938 WeakPolarHBondContact O-CB 3.38Å; V934-H938 PolarHBondContact O-N 3.2Å; V934-N943 HydrophobicContact CG1-CB 3.71Å; V934-R944 HydrophobicContact CG1-CB 4.42Å; V934-R944 HydrophobicContact CG1-CG 3.7Å
935R80Confident80.7Confident106 Ų10651.4 Ų51.440%0.426%0.259SS..Hα-helixtrans-64-38.5177.5-169.1-178.275.3179.9-6.6113.6D883 F931 R932D883-R935 PolarHBondContact O-NH2 3.41Å; D883-R935 IonicContact OD1-CZ 3.99Å; D883-R935 VanDerWaalsContact OD1-CZ 3.26Å; D883-R935 IonicContact OD1-NH1 2.79Å; D883-R935 PolarHBondContact OD1-NH1 3.48Å; D883-R935 IonicContact OD1-NH2 3.28Å; D883-R935 PolarHBondContact OD1-NH2 2.95Å; F931-R935 WeakPolarHBondContact O-CB 3.48Å; F931-R935 PolarHBondContact O-N 3.49Å; R932-R935 PolarHBondContact O-N 3Å
936L72.3Confident80.5Confident110 Ų11052.6 Ų52.658%0.57627%0.267SS*.Hα-helixtrans-83.8-38.1-176.8-73.7169.8000113.4R932 A933 V934R932-L936 HydrophobicContact CG-CD1 3.74Å; R932-L936 HydrophobicContact CG-CG 4.42Å; R932-L936 WeakPolarHBondContact O-CB 3.32Å; R932-L936 WeakPolarHBondContact O-CG 3.25Å; R932-L936 PolarHBondContact O-N 3.32Å; A933-L936 PolarHBondContact O-N 2.82Å; V934-L936 PolarHBondContact O-N 3.39Å
937H61.6Low80.5Confident155 Ų15551.8 Ų51.872%0.71826%0.256SS*.Hα-helixtrans-115.6-6.9-166.6-61.8-65.1000114.4A933A933-H937 WeakPolarHBondContact O-CB 3.48Å; A933-H937 PolarHBondContact O-N 2.97Å
938H59.2Low80.5Confident64 Ų6448.7 Ų48.730%0.29624%0.244SC..  trans-127.6112.8-179.4-10849.2000111.7V934 N940 N943V934-H938 HydrophobicContact CG1-CB 4.08Å; V934-H938 CarbonylContact O-C 3.39Å; V934-H938 WeakPolarHBondContact O-CA 3.46Å; V934-H938 WeakPolarHBondContact O-CB 3.38Å; V934-H938 PolarHBondContact O-N 3.2Å; H938-N940 PolarHBondContact O-N 2.97Å; H938-N943 PolarHBondContact CD2-ND2 3.03Å
939N65.2Low80.4Confident168 Ų16849.2 Ų49.290%0.89825%0.248SC*.  trans-72.2-0.7169.4-76.2-9.2000112.8I941N939-I941 PolarHBondContact O-N 3.47Å; N939-I941 VanDerWaalsContact O-N 3.07Å
940N76.8Confident80.5Confident12 Ų1250.1 Ų50.16%0.06426%0.256CS..  trans-71.3105.6178.1-168.9-33.1000110.4H938 N942 N943 R944 E1102H938-N940 PolarHBondContact O-N 2.97Å; N940-N942 VanDerWaalsContact C-N 3.27Å; N940-N942 PolarHBondContact O-N 3.16Å; N940-N942 VanDerWaalsContact OD1-CB 3.31Å; N940-N942 WeakPolarHBondContact OD1-CB 3.35Å; N940-N942 PolarHBondContact OD1-N 2.87Å; N940-N943 HydrophobicContact CB-CB 4.27Å; N940-N943 PolarHBondContact O-N 2.91Å; N940-N943 PolarHBondContact OD1-N 3.41Å; N940-R944 PolarHBondContact O-N 3.2Å; N940-E1102 PolarHBondContact ND2-OE2 3.26Å; N940-E1102 PolarHBondContact OD1-OE2 3.14Å
941I81.1Confident80.9Confident22 Ų2245.8 Ų45.811%0.11323%0.233CC..Hα-helixtrans-61.7-33.7-179.8-166.365.3000112.6N939 N943 R944 M945 L974 Q978N939-I941 PolarHBondContact O-N 3.47Å; N939-I941 VanDerWaalsContact O-N 3.07Å; I941-N943 PolarHBondContact O-N 2.79Å; I941-R944 WeakPolarHBondContact O-CB 3.24Å; I941-R944 PolarHBondContact O-N 3.3Å; I941-M945 HydrophobicContact CG1-CE 3.75Å; I941-M945 WeakPolarHBondContact O-CG 3.49Å; I941-M945 PolarHBondContact O-N 2.96Å; I941-L974 HydrophobicContact CD1-CD2 3.65Å; I941-Q978 HydrophobicContact CB-CG 4.48Å; I941-Q978 HydrophobicContact CG1-CG 3.71Å; I941-Q978 HydrophobicContact CG2-CG 4.11Å
942N81.6Confident81.2Confident18 Ų1844.9 Ų44.910%0.09623%0.229CC..Hα-helixtrans-65.7-41.8179.3-63.1-42.3000111N940 R944 M945 S946 E1102 W1212N940-N942 VanDerWaalsContact C-N 3.27Å; N940-N942 PolarHBondContact O-N 3.16Å; N940-N942 VanDerWaalsContact OD1-CB 3.31Å; N940-N942 WeakPolarHBondContact OD1-CB 3.35Å; N940-N942 PolarHBondContact OD1-N 2.87Å; N942-R944 VanDerWaalsContact C-N 3.32Å; N942-R944 PolarHBondContact O-N 3.49Å; N942-M945 PolarHBondContact O-N 3.4Å; N942-S946 PolarHBondContact O-N 2.77Å; N942-S946 PolarHBondContact O-OG 2.8Å; N942-E1102 PolarHBondContact ND2-OE1 3.13Å; N942-E1102 PolarHBondContact ND2-OE2 3.07Å; N942-W1212 HydrophobicContact CB-CZ2 3.98Å
943N81.4Confident81.4Confident1 Ų146.5 Ų46.51%0.00524%0.241CC..Hα-helixtrans-64.6-38.9175.2-69.8-8.3000111.3V934 H938 N940 I941 S946 C947 F1076V934-N943 HydrophobicContact CG1-CB 3.71Å; H938-N943 PolarHBondContact CD2-ND2 3.03Å; N940-N943 HydrophobicContact CB-CB 4.27Å; N940-N943 PolarHBondContact O-N 2.91Å; N940-N943 PolarHBondContact OD1-N 3.41Å; I941-N943 PolarHBondContact O-N 2.79Å; N943-S946 PolarHBondContact O-N 2.91Å; N943-C947 PolarHBondContact O-N 3.27Å; N943-C947 PolarHBondContact O-SG 3.39Å; N943-F1076 HydrophobicContact CB-CZ 4.28Å
944R86.5Confident82Confident76 Ų7644.6 Ų44.629%0.28722%0.224SC..Hα-helixtrans-61.5-45.8175.1-68.5172.660.8-163.4-2.1111.1V934 N940 I941 N942 T948 L974V934-R944 HydrophobicContact CG1-CB 4.42Å; V934-R944 HydrophobicContact CG1-CG 3.7Å; N940-R944 PolarHBondContact O-N 3.2Å; I941-R944 WeakPolarHBondContact O-CB 3.24Å; I941-R944 PolarHBondContact O-N 3.3Å; N942-R944 VanDerWaalsContact C-N 3.32Å; N942-R944 PolarHBondContact O-N 3.49Å; R944-T948 WeakPolarHBondContact O-CB 3.47Å; R944-T948 PolarHBondContact O-N 2.88Å; R944-T948 PolarHBondContact O-OG1 2.55Å; R944-L974 HydrophobicContact CB-CD1 4.44Å
945M88.6Confident82.8Confident3 Ų343.9 Ų43.92%0.01522%0.219CC..Hα-helixtrans-61.7-44.7176-66.7-177.1-16900111.4I941 N942 T948 V949 L971 L974 H975 Q978 L1210I941-M945 HydrophobicContact CG1-CE 3.75Å; I941-M945 WeakPolarHBondContact O-CG 3.49Å; I941-M945 PolarHBondContact O-N 2.96Å; N942-M945 PolarHBondContact O-N 3.4Å; M945-T948 WeakPolarHBondContact O-CA 3.5Å; M945-T948 WeakPolarHBondContact O-CB 3.43Å; M945-T948 PolarHBondContact O-N 2.89Å; M945-T948 VanDerWaalsContact O-N 3.15Å; M945-V949 WeakPolarHBondContact O-CG2 3.33Å; M945-V949 PolarHBondContact O-N 2.91Å; M945-L971 HydrophobicContact CB-CD1 3.93Å; M945-L971 HydrophobicContact CG-CD1 4.08Å; M945-L974 HydrophobicContact CE-CB 4.03Å; M945-L974 VanDerWaalsContact CE-O 3.28Å; M945-L974 WeakPolarHBondContact CE-O 3.35Å; M945-L974 HydrophobicContact CG-CB 3.94Å; M945-L974 HydrophobicContact CG-CD1 4.07Å; M945-H975 VanDerWaalsContact SD-CE1 3.54Å; M945-Q978 HydrophobicContact CE-CB 4.28Å; M945-Q978 HydrophobicContact CE-CG 3.88Å; M945-L1210 HydrophobicContact CB-CD2 3.72Å
946S85.4Confident83.3Confident25 Ų2544.8 Ų44.818%0.17522%0.224CC..Hα-helixtrans-63.5-43.5178.5-650000113.2N942 N943 T948 V949 S950 W1212N942-S946 PolarHBondContact O-N 2.77Å; N942-S946 PolarHBondContact O-OG 2.8Å; N943-S946 PolarHBondContact O-N 2.91Å; S946-T948 VanDerWaalsContact C-N 3.29Å; S946-T948 PolarHBondContact O-N 3.2Å; S946-V949 PolarHBondContact O-N 3.05Å; S946-S950 PolarHBondContact O-N 3.41Å; S946-W1212 WeakPolarHBondContact OG-CZ2 3.29Å; S946-W1212 PolarHBondContact OG-NE1 2.88Å
947C86.9Confident84Confident15 Ų1545.3 Ų45.310%0.10123%0.227CC..Hα-helixtrans-64-36.1173-69.50000111.9F931 N943 S950 L951F931-C947 HydrophobicContact CB-CB 4.4Å; F931-C947 HydrophobicContact CD2-CB 4.03Å; N943-C947 PolarHBondContact O-N 3.27Å; N943-C947 PolarHBondContact O-SG 3.39Å; C947-S950 PolarHBondContact O-N 3.49Å; C947-L951 PolarHBondContact O-N 3.2Å; C947-L951 VanDerWaalsContact O-N 3.12Å
948T90.5Very high85.2Confident2 Ų240.3 Ų40.31%0.01221%0.205CC..Hα-helixtrans-62.9-44.9174.6-52.20000110.8F931 R944 M945 S946 S950 L951 L952 Y967 K970 L971F931-T948 WeakPolarHBondContact CE2-OG1 3.17Å; R944-T948 WeakPolarHBondContact O-CB 3.47Å; R944-T948 PolarHBondContact O-N 2.88Å; R944-T948 PolarHBondContact O-OG1 2.55Å; M945-T948 WeakPolarHBondContact O-CA 3.5Å; M945-T948 WeakPolarHBondContact O-CB 3.43Å; M945-T948 PolarHBondContact O-N 2.89Å; M945-T948 VanDerWaalsContact O-N 3.15Å; S946-T948 VanDerWaalsContact C-N 3.29Å; S946-T948 PolarHBondContact O-N 3.2Å; T948-S950 VanDerWaalsContact C-N 3.34Å; T948-S950 PolarHBondContact O-N 3.34Å; T948-L951 PolarHBondContact O-N 3.4Å; T948-L952 WeakPolarHBondContact O-CB 3.47Å; T948-L952 PolarHBondContact O-N 3.29Å; T948-Y967 HydrophobicContact CG2-CD1 3.95Å; T948-K970 HydrophobicContact CG2-CB 4.14Å; T948-L971 HydrophobicContact CG2-CB 3.92Å
949V90.4Very high86.3Confident14 Ų1439.7 Ų39.79%0.08522%0.216CC..Hα-helixtrans-65.3-36.6176.6171.20000111.8M945 S946 L951 L952 N953 L971 I1209 L1210M945-V949 WeakPolarHBondContact O-CG2 3.33Å; M945-V949 PolarHBondContact O-N 2.91Å; S946-V949 PolarHBondContact O-N 3.05Å; V949-L951 VanDerWaalsContact C-N 3.35Å; V949-L951 PolarHBondContact O-N 3.28Å; V949-L952 WeakPolarHBondContact O-CB 3.33Å; V949-L952 PolarHBondContact O-N 3.31Å; V949-N953 WeakPolarHBondContact O-CB 3.28Å; V949-N953 PolarHBondContact O-N 2.77Å; V949-L971 HydrophobicContact CG2-CD1 4.13Å; V949-L971 HydrophobicContact CG2-CD2 3.55Å; V949-L971 HydrophobicContact CG2-CG 4.48Å; V949-I1209 HydrophobicContact CG1-CD1 4.03Å; V949-I1209 HydrophobicContact CG2-CD1 4.09Å; V949-L1210 HydrophobicContact CB-CD1 4.25Å; V949-L1210 HydrophobicContact CG1-CD1 4.33Å; V949-L1210 HydrophobicContact CG2-CD1 3.96Å; V949-L1210 HydrophobicContact CG2-CD2 3.82Å; V949-L1210 HydrophobicContact CG2-CG 3.9Å
950S88.6Confident87.4Confident47 Ų4732.7 Ų32.733%0.32918%0.178SC..Hα-helixtrans-60.9-43.1174.5-177.50000112.1R927 S946 C947 T948 F954R927-S950 PolarHBondContact NH1-O 2.88Å; S946-S950 PolarHBondContact O-N 3.41Å; C947-S950 PolarHBondContact O-N 3.49Å; T948-S950 VanDerWaalsContact C-N 3.34Å; T948-S950 PolarHBondContact O-N 3.34Å; S950-F954 WeakPolarHBondContact O-CB 3.48Å; S950-F954 PolarHBondContact O-N 3Å; S950-F954 VanDerWaalsContact O-N 3.07Å
951L92.4Very high87.9Confident0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-70.3-40.6174.1-78.4168.5000112L924 R927 L928 F931 C947 T948 V949 N953 F954 Y955 Y967L924-L951 HydrophobicContact CD1-CD2 4.16Å; R927-L951 HydrophobicContact CB-CD2 3.56Å; R927-L951 HydrophobicContact CB-CG 4.14Å; L928-L951 HydrophobicContact CD2-CD1 3.99Å; L928-L951 HydrophobicContact CD2-CD2 3.92Å; L928-L951 HydrophobicContact CG-CD2 4.18Å; F931-L951 HydrophobicContact CB-CD1 3.52Å; F931-L951 HydrophobicContact CD1-CD1 4.13Å; F931-L951 HydrophobicContact CD2-CD1 3.74Å; F931-L951 HydrophobicContact CE2-CD1 4.5Å; F931-L951 HydrophobicContact CG-CD1 3.53Å; C947-L951 PolarHBondContact O-N 3.2Å; C947-L951 VanDerWaalsContact O-N 3.12Å; T948-L951 PolarHBondContact O-N 3.4Å; V949-L951 VanDerWaalsContact C-N 3.35Å; V949-L951 PolarHBondContact O-N 3.28Å; L951-N953 PolarHBondContact O-N 3.12Å; L951-F954 VanDerWaalsContact O-CB 3.3Å; L951-F954 WeakPolarHBondContact O-CB 3.45Å; L951-F954 PolarHBondContact O-N 3.26Å; L951-Y955 HydrophobicContact CB-CD2 4.44Å; L951-Y955 HydrophobicContact CB-CE2 4.1Å; L951-Y955 HydrophobicContact CD2-CE2 4.18Å; L951-Y955 WeakPolarHBondContact O-CD2 3.42Å; L951-Y955 PolarHBondContact O-N 3.34Å; L951-Y967 HydrophobicContact CB-CD1 3.7Å; L951-Y967 HydrophobicContact CB-CE1 3.72Å; L951-Y967 HydrophobicContact CB-CG 4.37Å; L951-Y967 HydrophobicContact CD1-CD1 4.18Å; L951-Y967 HydrophobicContact CD1-CE1 3.34Å; L951-Y967 HydrophobicContact CG-CE1 4.15Å
952L93.1Very high88Confident0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-54.9-52.6175-177.570.6000111.2T948 V949 F954 Y955 Y956 Y964 L968 L971 L990T948-L952 WeakPolarHBondContact O-CB 3.47Å; T948-L952 PolarHBondContact O-N 3.29Å; V949-L952 WeakPolarHBondContact O-CB 3.33Å; V949-L952 PolarHBondContact O-N 3.31Å; L952-F954 VanDerWaalsContact C-N 3.31Å; L952-F954 PolarHBondContact O-N 3.3Å; L952-Y955 PolarHBondContact O-N 2.88Å; L952-Y956 PolarHBondContact O-N 2.71Å; L952-Y964 HydrophobicContact CD1-CD2 3.39Å; L952-Y964 HydrophobicContact CD1-CE2 3.47Å; L952-Y964 VanDerWaalsContact CD1-CE2 3.47Å; L952-Y964 HydrophobicContact CD1-CG 4.06Å; L952-Y964 WeakPolarHBondContact CD1-O 3.45Å; L952-Y964 HydrophobicContact CD2-CE2 4.41Å; L952-Y964 HydrophobicContact CG-CD2 3.89Å; L952-Y964 HydrophobicContact CG-CE2 3.65Å; L952-Y964 WeakPolarHBondContact O-CD2 3.37Å; L952-L968 HydrophobicContact CD1-CB 3.84Å; L952-L971 HydrophobicContact CD2-CD2 4.36Å; L952-L990 HydrophobicContact CD2-CD1 4.32Å
953N90.7Very high88.4Confident76 Ų7637.4 Ų37.441%0.40620%0.202SC..Hα-helixtrans-63.6-37.8178.2-69.6-15.2000111.5V949 L951 Y955 Y956 D957V949-N953 WeakPolarHBondContact O-CB 3.28Å; V949-N953 PolarHBondContact O-N 2.77Å; L951-N953 PolarHBondContact O-N 3.12Å; N953-Y955 PolarHBondContact O-N 3.04Å; N953-Y956 WeakPolarHBondContact O-CB 3.48Å; N953-Y956 PolarHBondContact O-N 2.61Å; N953-D957 PolarHBondContact O-N 2.96Å
954F93Very high89Confident7 Ų737.9 Ų37.93%0.03120%0.204CC..Hα-helixtrans-56.5-51.6174.4-172.1-107.4000111.8T920 L923 L924 R927 S950 L951 L952 Y956 D957 I958T920-F954 HydrophobicContact CG2-CE1 4.48Å; T920-F954 HydrophobicContact CG2-CZ 3.82Å; T920-F954 WeakPolarHBondContact O-CZ 3.38Å; L923-F954 HydrophobicContact CB-CE2 3.82Å; L923-F954 HydrophobicContact CB-CZ 4.31Å; L924-F954 HydrophobicContact CB-CE1 3.64Å; L924-F954 HydrophobicContact CB-CZ 3.86Å; L924-F954 HydrophobicContact CD1-CD1 3.91Å; L924-F954 HydrophobicContact CD1-CE1 3.74Å; L924-F954 HydrophobicContact CD2-CE1 4.38Å; L924-F954 HydrophobicContact CG-CE1 4.11Å; R927-F954 VanDerWaalsContact NH1-CB 3.28Å; S950-F954 WeakPolarHBondContact O-CB 3.48Å; S950-F954 PolarHBondContact O-N 3Å; S950-F954 VanDerWaalsContact O-N 3.07Å; L951-F954 VanDerWaalsContact O-CB 3.3Å; L951-F954 WeakPolarHBondContact O-CB 3.45Å; L951-F954 PolarHBondContact O-N 3.26Å; L952-F954 VanDerWaalsContact C-N 3.31Å; L952-F954 PolarHBondContact O-N 3.3Å; F954-Y956 VanDerWaalsContact C-N 3.27Å; F954-Y956 PolarHBondContact O-N 2.82Å; F954-D957 PolarHBondContact O-N 3.06Å; F954-I958 HydrophobicContact CD1-CD1 4.22Å; F954-I958 HydrophobicContact CE1-CD1 3.84Å; F954-I958 HydrophobicContact CE1-CG2 4.26Å; F954-I958 HydrophobicContact CE2-CG2 4.29Å; F954-I958 HydrophobicContact CZ-CG2 4.06Å; F954-I958 WeakPolarHBondContact O-CG1 3.39Å; F954-I958 PolarHBondContact O-N 2.94Å; F954-I958 VanDerWaalsContact O-N 3.12Å
955Y93.7Very high89.2Confident0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-66.2-32-178.1-68-53.9000112.5I875 D879 L924 L951 L952 N953 I958 G959 H960 L963 Y967I875-Y955 HydrophobicContact CG2-CE1 4Å; D879-Y955 PolarHBondContact OD1-OH 3.38Å; D879-Y955 VanDerWaalsContact OD1-OH 3.06Å; L924-Y955 HydrophobicContact CD1-CE1 3.91Å; L924-Y955 WeakPolarHBondContact CD1-OH 3.42Å; L951-Y955 HydrophobicContact CB-CD2 4.44Å; L951-Y955 HydrophobicContact CB-CE2 4.1Å; L951-Y955 HydrophobicContact CD2-CE2 4.18Å; L951-Y955 WeakPolarHBondContact O-CD2 3.42Å; L951-Y955 PolarHBondContact O-N 3.34Å; L952-Y955 PolarHBondContact O-N 2.88Å; N953-Y955 PolarHBondContact O-N 3.04Å; Y955-I958 HydrophobicContact CD1-CD1 3.99Å; Y955-G959 PolarHBondContact O-N 3.49Å; Y955-H960 HydrophobicContact CD1-CB 4.08Å; Y955-H960 PolarHBondContact O-N 2.97Å; Y955-L963 HydrophobicContact CD1-CB 3.68Å; Y955-L963 HydrophobicContact CD1-CD1 3.8Å; Y955-L963 HydrophobicContact CD1-CG 4.4Å; Y955-L963 HydrophobicContact CD2-CB 3.78Å; Y955-L963 HydrophobicContact CE1-CB 3.88Å; Y955-L963 HydrophobicContact CE1-CD1 3.32Å; Y955-L963 HydrophobicContact CE1-CG 4.22Å; Y955-L963 HydrophobicContact CE2-CB 3.97Å; Y955-L963 HydrophobicContact CG-CB 3.64Å; Y955-Y967 AromaticContact CD2-CD2 3.93Å; Y955-Y967 HydrophobicContact CD2-CD2 3.93Å; Y955-Y967 HydrophobicContact CD2-CE2 4.4Å; Y955-Y967 HydrophobicContact CD2-CG 4.3Å; Y955-Y967 AromaticContact CE2-CD2 3.59Å; Y955-Y967 HydrophobicContact CE2-CD2 3.59Å; Y955-Y967 AromaticContact CE2-CE2 3.61Å; Y955-Y967 HydrophobicContact CE2-CE2 3.61Å; Y955-Y967 HydrophobicContact CE2-CG 4.2Å
956Y89.6Confident89.3Confident125 Ų12538 Ų3849%0.4921%0.207SC..Hα-helixtrans-63.9-49.2171.1-173.6-100.5000111.9L952 N953 F954 I958 G959 Y964L952-Y956 PolarHBondContact O-N 2.71Å; N953-Y956 WeakPolarHBondContact O-CB 3.48Å; N953-Y956 PolarHBondContact O-N 2.61Å; F954-Y956 VanDerWaalsContact C-N 3.27Å; F954-Y956 PolarHBondContact O-N 2.82Å; Y956-I958 VanDerWaalsContact C-N 3.3Å; Y956-I958 PolarHBondContact O-N 3.37Å; Y956-G959 PolarHBondContact O-N 2.98Å; Y956-G959 VanDerWaalsContact O-N 3.08Å; Y956-Y964 HydrophobicContact CD2-CD2 4.15Å; Y956-Y964 HydrophobicContact CD2-CE1 4.49Å; Y956-Y964 AromaticContact CD2-CE2 3.77Å; Y956-Y964 HydrophobicContact CD2-CE2 3.77Å; Y956-Y964 AromaticContact CD2-CZ 3.96Å; Y956-Y964 HydrophobicContact CG-CD2 4.4Å; Y956-Y964 HydrophobicContact CG-CE2 4.1Å
957D88.5Confident89.6Confident121 Ų12136.8 Ų36.865%0.64720%0.198SC*.Hα-helixtrans-63.1-35.1-176.7-68.2-23.9000112.6N953 F954N953-D957 PolarHBondContact O-N 2.96Å; F954-D957 PolarHBondContact O-N 3.06Å
958I85.9Confident90Very high51 Ų5136.1 Ų36.126%0.26219%0.193SC..Hα-helixtrans-86.4-8.5176.969.5170.9000113.6I875 T920 F954 Y955 Y956 H960I875-I958 HydrophobicContact CD1-CD1 3.94Å; I875-I958 HydrophobicContact CG2-CD1 4.42Å; T920-I958 HydrophobicContact CG2-CG2 3.9Å; F954-I958 HydrophobicContact CD1-CD1 4.22Å; F954-I958 HydrophobicContact CE1-CD1 3.84Å; F954-I958 HydrophobicContact CE1-CG2 4.26Å; F954-I958 HydrophobicContact CE2-CG2 4.29Å; F954-I958 HydrophobicContact CZ-CG2 4.06Å; F954-I958 WeakPolarHBondContact O-CG1 3.39Å; F954-I958 PolarHBondContact O-N 2.94Å; F954-I958 VanDerWaalsContact O-N 3.12Å; Y955-I958 HydrophobicContact CD1-CD1 3.99Å; Y956-I958 VanDerWaalsContact C-N 3.3Å; Y956-I958 PolarHBondContact O-N 3.37Å; I958-H960 HydrophobicContact CD1-CB 3.98Å; I958-H960 WeakPolarHBondContact CD1-CD2 3.21Å; I958-H960 HydrophobicContact CG1-CB 3.97Å
959G83.5Confident90.2Very high50 Ų5036.4 Ų36.452%0.51519%0.194SC..THydrogen-bonded Turntrans81.818.4179.400000116.1Y955 Y956 M961Y955-G959 PolarHBondContact O-N 3.49Å; Y956-G959 PolarHBondContact O-N 2.98Å; Y956-G959 VanDerWaalsContact O-N 3.08Å; G959-M961 PolarHBondContact O-N 3.09Å
960H87.9Confident90.3Very high22 Ų2238.2 Ų38.210%0.10220%0.201CC..  trans-85.480.7178-90.4-114.6000112I875 Y955 I958 D962 L963 Y964I875-H960 WeakPolarHBondContact CD1-NE2 3.2Å; I875-H960 VanDerWaalsContact CG2-CE1 3.48Å; I875-H960 WeakPolarHBondContact CG2-CE1 3.33Å; Y955-H960 HydrophobicContact CD1-CB 4.08Å; Y955-H960 PolarHBondContact O-N 2.97Å; I958-H960 HydrophobicContact CD1-CB 3.98Å; I958-H960 WeakPolarHBondContact CD1-CD2 3.21Å; I958-H960 HydrophobicContact CG1-CB 3.97Å; H960-D962 VanDerWaalsContact C-N 3.31Å; H960-D962 PolarHBondContact O-N 3.45Å; H960-L963 PolarHBondContact O-N 3.43Å; H960-Y964 WeakPolarHBondContact O-CB 3.13Å; H960-Y964 PolarHBondContact O-N 3.13Å
961M85.9Confident90.6Very high60 Ų6036 Ų3630%0.29619%0.186SC..Hα-helixtrans-60.1-35-173.2-71.9-63.5-176.900114.3G959 Y964 I965G959-M961 PolarHBondContact O-N 3.09Å; M961-Y964 WeakPolarHBondContact O-CB 2.97Å; M961-Y964 PolarHBondContact O-N 3.25Å; M961-Y964 HydrophobicContact SD-CD1 4.35Å; M961-I965 WeakPolarHBondContact O-CB 3.34Å; M961-I965 VanDerWaalsContact O-CG1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.41Å; M961-I965 PolarHBondContact O-N 2.83Å
962D84.9Confident90.7Very high84 Ų8437.3 Ų37.345%0.44919%0.191SC..Hα-helixtrans-68.6-45-175.5-58.28.3000111.1H960 K966 Q1005H960-D962 VanDerWaalsContact C-N 3.31Å; H960-D962 PolarHBondContact O-N 3.45Å; D962-K966 VanDerWaalsContact O-CB 3.3Å; D962-K966 WeakPolarHBondContact O-CB 3.41Å; D962-K966 PolarHBondContact O-N 3.36Å; D962-Q1005 WeakPolarHBondContact OD1-CB 3.17Å; D962-Q1005 WeakPolarHBondContact OD1-CG 3.47Å
963L89.5Confident90.7Very high6 Ų641.5 Ų41.53%0.03121%0.21CC..Hα-helixtrans-71.6-36.6175.1-66.4176.2000111I875 D879 Y955 H960 I965 K966 Y967I875-L963 HydrophobicContact CG2-CD1 3.67Å; D879-L963 HydrophobicContact CB-CD1 4.33Å; D879-L963 HydrophobicContact CB-CD2 4.2Å; Y955-L963 HydrophobicContact CD1-CB 3.68Å; Y955-L963 HydrophobicContact CD1-CD1 3.8Å; Y955-L963 HydrophobicContact CD1-CG 4.4Å; Y955-L963 HydrophobicContact CD2-CB 3.78Å; Y955-L963 HydrophobicContact CE1-CB 3.88Å; Y955-L963 HydrophobicContact CE1-CD1 3.32Å; Y955-L963 HydrophobicContact CE1-CG 4.22Å; Y955-L963 HydrophobicContact CE2-CB 3.97Å; Y955-L963 HydrophobicContact CG-CB 3.64Å; H960-L963 PolarHBondContact O-N 3.43Å; L963-I965 PolarHBondContact O-N 2.95Å; L963-K966 HydrophobicContact CD2-CD 4.06Å; L963-K966 PolarHBondContact O-N 3.3Å; L963-Y967 WeakPolarHBondContact O-CB 3.38Å; L963-Y967 VanDerWaalsContact O-CD2 3.31Å; L963-Y967 WeakPolarHBondContact O-CD2 3.47Å; L963-Y967 PolarHBondContact O-N 3.35Å
964Y92.9Very high90.7Very high11 Ų1138.4 Ų38.44%0.04319%0.194CC..Hα-helixtrans-55.3-52.4171.7175.4-102.5000111.1L952 Y956 H960 M961 K966 Y967 L968L952-Y964 HydrophobicContact CD1-CD2 3.39Å; L952-Y964 HydrophobicContact CD1-CE2 3.47Å; L952-Y964 VanDerWaalsContact CD1-CE2 3.47Å; L952-Y964 HydrophobicContact CD1-CG 4.06Å; L952-Y964 WeakPolarHBondContact CD1-O 3.45Å; L952-Y964 HydrophobicContact CD2-CE2 4.41Å; L952-Y964 HydrophobicContact CG-CD2 3.89Å; L952-Y964 HydrophobicContact CG-CE2 3.65Å; L952-Y964 WeakPolarHBondContact O-CD2 3.37Å; Y956-Y964 HydrophobicContact CD2-CD2 4.15Å; Y956-Y964 HydrophobicContact CD2-CE1 4.49Å; Y956-Y964 AromaticContact CD2-CE2 3.77Å; Y956-Y964 HydrophobicContact CD2-CE2 3.77Å; Y956-Y964 AromaticContact CD2-CZ 3.96Å; Y956-Y964 HydrophobicContact CG-CD2 4.4Å; Y956-Y964 HydrophobicContact CG-CE2 4.1Å; H960-Y964 WeakPolarHBondContact O-CB 3.13Å; H960-Y964 PolarHBondContact O-N 3.13Å; M961-Y964 WeakPolarHBondContact O-CB 2.97Å; M961-Y964 PolarHBondContact O-N 3.25Å; M961-Y964 HydrophobicContact SD-CD1 4.35Å; Y964-K966 PolarHBondContact O-N 2.92Å; Y964-Y967 PolarHBondContact O-N 2.75Å; Y964-L968 HydrophobicContact CE1-CD1 4.03Å; Y964-L968 WeakPolarHBondContact O-CB 3.49Å; Y964-L968 PolarHBondContact O-N 2.89Å
965I90.4Very high90.8Very high8 Ų838.1 Ų38.14%0.04119%0.192CC..Hα-helixtrans-65.7-42.3179.6-67.2171.9000110.8M961 L963 Y967 L968 Y969 H1006M961-I965 WeakPolarHBondContact O-CB 3.34Å; M961-I965 VanDerWaalsContact O-CG1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.41Å; M961-I965 PolarHBondContact O-N 2.83Å; L963-I965 PolarHBondContact O-N 2.95Å; I965-Y967 VanDerWaalsContact C-N 3.31Å; I965-Y967 PolarHBondContact O-N 3.38Å; I965-L968 WeakPolarHBondContact O-CB 3.36Å; I965-L968 PolarHBondContact O-N 2.86Å; I965-Y969 HydrophobicContact CG2-CD2 3.85Å; I965-Y969 HydrophobicContact CG2-CE2 3.78Å; I965-Y969 WeakPolarHBondContact O-CD2 3.46Å; I965-Y969 PolarHBondContact O-N 3.03Å; I965-H1006 HydrophobicContact CD1-CB 4.05Å
966K90.9Very high90.8Very high74 Ų7440.5 Ų40.532%0.32220%0.204SC..Hα-helixtrans-55.2-45.4174.3-177.9-174.5177-169.80111.9D879 D962 L963 Y964 K970D879-K966 IonicContact OD2-NZ 2.91Å; D879-K966 PolarHBondContact OD2-NZ 3.42Å; D962-K966 VanDerWaalsContact O-CB 3.3Å; D962-K966 WeakPolarHBondContact O-CB 3.41Å; D962-K966 PolarHBondContact O-N 3.36Å; L963-K966 HydrophobicContact CD2-CD 4.06Å; L963-K966 PolarHBondContact O-N 3.3Å; Y964-K966 PolarHBondContact O-N 2.92Å; K966-K970 WeakPolarHBondContact O-CG 3.06Å; K966-K970 PolarHBondContact O-N 2.85Å
967Y93.1Very high90.9Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-74.9-28.6179.3-86.8-97.7000113.2D879 F931 T948 L951 Y955 L963 Y964 I965 K970 L971D879-Y967 VanDerWaalsContact OD1-CE2 3.29Å; D879-Y967 WeakPolarHBondContact OD1-CE2 3.48Å; D879-Y967 PolarHBondContact OD1-OH 3.33Å; F931-Y967 HydrophobicContact CD2-CE1 4.41Å; F931-Y967 HydrophobicContact CE1-CE1 4.39Å; F931-Y967 HydrophobicContact CE2-CE1 4.05Å; F931-Y967 HydrophobicContact CZ-CE1 4.05Å; T948-Y967 HydrophobicContact CG2-CD1 3.95Å; L951-Y967 HydrophobicContact CB-CD1 3.7Å; L951-Y967 HydrophobicContact CB-CE1 3.72Å; L951-Y967 HydrophobicContact CB-CG 4.37Å; L951-Y967 HydrophobicContact CD1-CD1 4.18Å; L951-Y967 HydrophobicContact CD1-CE1 3.34Å; L951-Y967 HydrophobicContact CG-CE1 4.15Å; Y955-Y967 AromaticContact CD2-CD2 3.93Å; Y955-Y967 HydrophobicContact CD2-CD2 3.93Å; Y955-Y967 HydrophobicContact CD2-CE2 4.4Å; Y955-Y967 HydrophobicContact CD2-CG 4.3Å; Y955-Y967 AromaticContact CE2-CD2 3.59Å; Y955-Y967 HydrophobicContact CE2-CD2 3.59Å; Y955-Y967 AromaticContact CE2-CE2 3.61Å; Y955-Y967 HydrophobicContact CE2-CE2 3.61Å; Y955-Y967 HydrophobicContact CE2-CG 4.2Å; L963-Y967 WeakPolarHBondContact O-CB 3.38Å; L963-Y967 VanDerWaalsContact O-CD2 3.31Å; L963-Y967 WeakPolarHBondContact O-CD2 3.47Å; L963-Y967 PolarHBondContact O-N 3.35Å; Y964-Y967 PolarHBondContact O-N 2.75Å; I965-Y967 VanDerWaalsContact C-N 3.31Å; I965-Y967 PolarHBondContact O-N 3.38Å; Y967-K970 HydrophobicContact CD1-CD 4.13Å; Y967-K970 HydrophobicContact CE1-CD 4.04Å; Y967-K970 HydrophobicContact CE2-CD 4.43Å; Y967-K970 HydrophobicContact CG-CD 4.35Å; Y967-K970 PolarHBondContact O-N 3.32Å; Y967-K970 PolarHBondContact OH-NZ 2.79Å; Y967-L971 PolarHBondContact O-N 2.78Å
968L94.3Very high90.9Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-61.8-46172.4-172.2157.2000110.2L952 Y964 I965 L971 Y972 T987 L988 L990 H991L952-L968 HydrophobicContact CD1-CB 3.84Å; Y964-L968 HydrophobicContact CE1-CD1 4.03Å; Y964-L968 WeakPolarHBondContact O-CB 3.49Å; Y964-L968 PolarHBondContact O-N 2.89Å; I965-L968 WeakPolarHBondContact O-CB 3.36Å; I965-L968 PolarHBondContact O-N 2.86Å; L968-L971 WeakPolarHBondContact O-CB 3.21Å; L968-L971 PolarHBondContact O-N 3.09Å; L968-Y972 PolarHBondContact O-N 3.47Å; L968-T987 HydrophobicContact CD2-CG2 3.9Å; L968-T987 WeakPolarHBondContact CD2-O 3.5Å; L968-T987 HydrophobicContact CG-CG2 3.9Å; L968-T987 WeakPolarHBondContact O-CG2 3.37Å; L968-L988 HydrophobicContact CD2-CD2 4.45Å; L968-L990 HydrophobicContact CD1-CB 3.8Å; L968-H991 HydrophobicContact CD1-CB 3.8Å; L968-H991 HydrophobicContact CD2-CB 4.08Å
969Y94.6Very high91.1Very high8 Ų842.6 Ų42.63%0.03121%0.213CC..Hα-helixtrans-72-33.7175.6-77.6-81.3000113I965 L971 Y972 E973 L988 H991 H1008 F1011I965-Y969 HydrophobicContact CG2-CD2 3.85Å; I965-Y969 HydrophobicContact CG2-CE2 3.78Å; I965-Y969 WeakPolarHBondContact O-CD2 3.46Å; I965-Y969 PolarHBondContact O-N 3.03Å; Y969-L971 VanDerWaalsContact C-N 3.25Å; Y969-L971 PolarHBondContact O-N 3.22Å; Y969-Y972 HydrophobicContact CD1-CD1 4.32Å; Y969-Y972 PolarHBondContact O-N 3.36Å; Y969-E973 WeakPolarHBondContact O-CG 3.43Å; Y969-E973 PolarHBondContact O-N 3.02Å; Y969-L988 HydrophobicContact CE1-CD2 3.88Å; Y969-H991 AromaticContact CE2-CE1 3.97Å; Y969-H991 AromaticContact CE2-ND1 3.62Å; Y969-H991 AromaticContact CZ-ND1 3.71Å; Y969-H991 PolarHBondContact OH-CE1 3.01Å; Y969-H991 PolarHBondContact OH-ND1 3.39Å; Y969-H1008 AromaticContact CD1-CD2 3.9Å; Y969-H1008 AromaticContact CD1-CE1 3.7Å; Y969-H1008 AromaticContact CD1-CG 3.81Å; Y969-H1008 AromaticContact CD1-ND1 3.67Å; Y969-H1008 AromaticContact CD1-NE2 3.86Å; Y969-H1008 HydrophobicContact CD2-CB 3.85Å; Y969-H1008 AromaticContact CD2-CD2 3.46Å; Y969-H1008 VanDerWaalsContact CD2-CD2 3.46Å; Y969-H1008 WeakPolarHBondContact CD2-CD2 3.31Å; Y969-H1008 AromaticContact CD2-CG 3.61Å; Y969-H1008 HydrophobicContact CE1-CB 4.12Å; Y969-H1008 AromaticContact CE1-CG 3.73Å; Y969-H1008 AromaticContact CE1-ND1 3.58Å; Y969-H1008 HydrophobicContact CE2-CB 3.32Å; Y969-H1008 AromaticContact CE2-CD2 3.9Å; Y969-H1008 AromaticContact CE2-CG 3.54Å; Y969-H1008 HydrophobicContact CG-CB 4.44Å; Y969-H1008 AromaticContact CG-CD2 3.45Å; Y969-H1008 VanDerWaalsContact CG-CD2 3.45Å; Y969-H1008 AromaticContact CG-CE1 3.99Å; Y969-H1008 AromaticContact CG-CG 3.74Å; Y969-H1008 AromaticContact CG-NE2 3.66Å; Y969-H1008 VanDerWaalsContact CZ-CB 3.46Å; Y969-H1008 AromaticContact CZ-CG 3.58Å; Y969-H1008 AromaticContact CZ-ND1 3.87Å; Y969-F1011 HydrophobicContact CE1-CE2 4.19Å; Y969-F1011 WeakPolarHBondContact OH-CE2 3.47Å
970K92Very high91.5Very high53 Ų5340.7 Ų40.723%0.2319%0.191CC..Hα-helixtrans-56.2-42.1168.3-75.2178.8172.8-174.30110.8D883 T948 K966 Y967 L974D883-K970 IonicContact OD2-NZ 2.86Å; D883-K970 PolarHBondContact OD2-NZ 2.71Å; T948-K970 HydrophobicContact CG2-CB 4.14Å; K966-K970 WeakPolarHBondContact O-CG 3.06Å; K966-K970 PolarHBondContact O-N 2.85Å; Y967-K970 HydrophobicContact CD1-CD 4.13Å; Y967-K970 HydrophobicContact CE1-CD 4.04Å; Y967-K970 HydrophobicContact CE2-CD 4.43Å; Y967-K970 HydrophobicContact CG-CD 4.35Å; Y967-K970 PolarHBondContact O-N 3.32Å; Y967-K970 PolarHBondContact OH-NZ 2.79Å; K970-L974 VanDerWaalsContact O-CG 3.28Å; K970-L974 WeakPolarHBondContact O-CG 3.47Å; K970-L974 PolarHBondContact O-N 3.07Å
971L95.1Very high91.8Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-69-44.2176.8-179.562.2000112.4M945 T948 V949 L952 Y967 L968 Y969 E973 L974 H975 T987 I1209 L1210M945-L971 HydrophobicContact CB-CD1 3.93Å; M945-L971 HydrophobicContact CG-CD1 4.08Å; T948-L971 HydrophobicContact CG2-CB 3.92Å; V949-L971 HydrophobicContact CG2-CD1 4.13Å; V949-L971 HydrophobicContact CG2-CD2 3.55Å; V949-L971 HydrophobicContact CG2-CG 4.48Å; L952-L971 HydrophobicContact CD2-CD2 4.36Å; Y967-L971 PolarHBondContact O-N 2.78Å; L968-L971 WeakPolarHBondContact O-CB 3.21Å; L968-L971 PolarHBondContact O-N 3.09Å; Y969-L971 VanDerWaalsContact C-N 3.25Å; Y969-L971 PolarHBondContact O-N 3.22Å; L971-E973 VanDerWaalsContact C-N 3.33Å; L971-E973 PolarHBondContact O-N 3.13Å; L971-L974 PolarHBondContact O-N 2.76Å; L971-L974 VanDerWaalsContact O-N 3.17Å; L971-H975 PolarHBondContact O-CD2 3.16Å; L971-H975 PolarHBondContact O-N 2.9Å; L971-T987 HydrophobicContact CB-CG2 4.18Å; L971-T987 HydrophobicContact CD2-CG2 3.94Å; L971-T987 HydrophobicContact CG-CG2 4.09Å; L971-I1209 HydrophobicContact CD2-CB 4.47Å; L971-L1210 HydrophobicContact CD1-CD2 4.38Å
972Y94.8Very high92Very high27 Ų2739.7 Ų39.711%0.10619%0.185CC..Hα-helixtrans-54.5-47.9175.3171.9-98.3000111.7L968 Y969 L974 H975 M976 A984 L988 L1031L968-Y972 PolarHBondContact O-N 3.47Å; Y969-Y972 HydrophobicContact CD1-CD1 4.32Å; Y969-Y972 PolarHBondContact O-N 3.36Å; Y972-L974 VanDerWaalsContact C-N 3.33Å; Y972-L974 PolarHBondContact O-N 3.31Å; Y972-H975 WeakPolarHBondContact O-CB 3.48Å; Y972-H975 PolarHBondContact O-N 3.24Å; Y972-H975 VanDerWaalsContact O-N 3.13Å; Y972-M976 HydrophobicContact CD1-CG 4.18Å; Y972-M976 HydrophobicContact CD2-CG 4.45Å; Y972-M976 HydrophobicContact CE1-CG 3.73Å; Y972-M976 HydrophobicContact CE2-CG 4.02Å; Y972-M976 HydrophobicContact CE2-SD 4.14Å; Y972-M976 WeakPolarHBondContact O-CG 3.46Å; Y972-M976 PolarHBondContact O-N 3.27Å; Y972-A984 HydrophobicContact CD2-CB 3.87Å; Y972-A984 HydrophobicContact CE2-CB 3.88Å; Y972-L988 HydrophobicContact CD2-CD1 4.12Å; Y972-L988 HydrophobicContact CD2-CD2 3.84Å; Y972-L988 HydrophobicContact CD2-CG 3.71Å; Y972-L988 HydrophobicContact CE2-CD1 3.66Å; Y972-L988 HydrophobicContact CE2-CD2 4.15Å; Y972-L988 HydrophobicContact CE2-CG 3.8Å; Y972-L988 HydrophobicContact CG-CD2 4.23Å; Y972-L1031 HydrophobicContact CE2-CD1 3.71Å
973E93.3Very high92.5Very high89 Ų8935.9 Ų35.942%0.41616%0.164SC..Hα-helixtrans-63.3-36.9178.2-69.8-59.6145.300112.5Y969 L971 H975 M976 Q977Y969-E973 WeakPolarHBondContact O-CG 3.43Å; Y969-E973 PolarHBondContact O-N 3.02Å; L971-E973 VanDerWaalsContact C-N 3.33Å; L971-E973 PolarHBondContact O-N 3.13Å; E973-H975 VanDerWaalsContact C-N 3.33Å; E973-M976 PolarHBondContact O-N 3.36Å; E973-Q977 VanDerWaalsContact O-CG 3.23Å; E973-Q977 WeakPolarHBondContact O-CG 3.42Å; E973-Q977 PolarHBondContact O-N 3.32Å
974L91.8Very high92.7Very high11 Ų1135.6 Ų35.66%0.05816%0.163CC..Hα-helixtrans-65.1-37.7174.3-66.5171.5000111.6I941 R944 M945 K970 L971 Y972 Q977 Q978I941-L974 HydrophobicContact CD1-CD2 3.65Å; R944-L974 HydrophobicContact CB-CD1 4.44Å; M945-L974 HydrophobicContact CE-CB 4.03Å; M945-L974 VanDerWaalsContact CE-O 3.28Å; M945-L974 WeakPolarHBondContact CE-O 3.35Å; M945-L974 HydrophobicContact CG-CB 3.94Å; M945-L974 HydrophobicContact CG-CD1 4.07Å; K970-L974 VanDerWaalsContact O-CG 3.28Å; K970-L974 WeakPolarHBondContact O-CG 3.47Å; K970-L974 PolarHBondContact O-N 3.07Å; L971-L974 PolarHBondContact O-N 2.76Å; L971-L974 VanDerWaalsContact O-N 3.17Å; Y972-L974 VanDerWaalsContact C-N 3.33Å; Y972-L974 PolarHBondContact O-N 3.31Å; L974-Q977 PolarHBondContact O-N 3.17Å; L974-Q978 PolarHBondContact O-N 3.29Å
975H95.2Very high92.7Very high0 Ų035.1 Ų35.10%016%0.161CC..Hα-helixtrans-67.6-42.2174.2-77.5-51.2000112.2M945 L971 Y972 E973 Q977 Q978 E979 N980 A984 I1209M945-H975 VanDerWaalsContact SD-CE1 3.54Å; L971-H975 PolarHBondContact O-CD2 3.16Å; L971-H975 PolarHBondContact O-N 2.9Å; Y972-H975 WeakPolarHBondContact O-CB 3.48Å; Y972-H975 PolarHBondContact O-N 3.24Å; Y972-H975 VanDerWaalsContact O-N 3.13Å; E973-H975 VanDerWaalsContact C-N 3.33Å; H975-Q977 VanDerWaalsContact C-N 3.3Å; H975-Q977 PolarHBondContact O-N 3.25Å; H975-Q978 CarbonylContact O-C 3.58Å; H975-Q978 PolarHBondContact O-N 2.94Å; H975-Q978 VanDerWaalsContact O-N 3.11Å; H975-E979 PolarHBondContact O-N 3.07Å; H975-E979 VanDerWaalsContact O-N 3.09Å; H975-N980 HydrophobicContact CB-CB 3.99Å; H975-N980 PolarHBondContact ND1-ND2 3.21Å; H975-N980 PolarHBondContact O-N 2.95Å; H975-A984 HydrophobicContact CB-CB 3.79Å; H975-I1209 PolarHBondContact CE1-O 3.41Å; H975-I1209 PolarHBondContact NE2-O 2.91Å
976M93.9Very high92.9Very high51 Ų5136 Ų3625%0.25117%0.165SC..Hα-helixtrans-61.7-37.7176-69.3-58.1-6700112Y972 E973 Q978 E979 Y981 A984 L1031Y972-M976 HydrophobicContact CD1-CG 4.18Å; Y972-M976 HydrophobicContact CD2-CG 4.45Å; Y972-M976 HydrophobicContact CE1-CG 3.73Å; Y972-M976 HydrophobicContact CE2-CG 4.02Å; Y972-M976 HydrophobicContact CE2-SD 4.14Å; Y972-M976 WeakPolarHBondContact O-CG 3.46Å; Y972-M976 PolarHBondContact O-N 3.27Å; E973-M976 PolarHBondContact O-N 3.36Å; M976-Q978 PolarHBondContact O-N 3.09Å; M976-E979 PolarHBondContact O-N 3.11Å; M976-Y981 HydrophobicContact CE-CD1 4.37Å; M976-Y981 HydrophobicContact CE-CE1 4.16Å; M976-Y981 HydrophobicContact SD-CD1 4.17Å; M976-Y981 HydrophobicContact SD-CE1 4.45Å; M976-A984 HydrophobicContact CG-CB 4.48Å; M976-A984 HydrophobicContact SD-CB 3.99Å; M976-L1031 HydrophobicContact CE-CD2 4.16Å; M976-L1031 HydrophobicContact SD-CD2 3.68Å
977Q90.5Very high93.1Very high107 Ų10732.5 Ų32.550%0.515%0.15SC..Hα-helixtrans-64.8-22.9175.1-75166.331.500114.1E973 L974 H975E973-Q977 VanDerWaalsContact O-CG 3.23Å; E973-Q977 WeakPolarHBondContact O-CG 3.42Å; E973-Q977 PolarHBondContact O-N 3.32Å; L974-Q977 PolarHBondContact O-N 3.17Å; H975-Q977 VanDerWaalsContact C-N 3.3Å; H975-Q977 PolarHBondContact O-N 3.25Å
978Q88.2Confident93.1Very high97 Ų9732.5 Ų32.545%0.45315%0.15SC..THydrogen-bonded Turntrans-108.19.8178.6-64.9-60.5-75.900112.7I941 M945 L974 H975 M976 N980I941-Q978 HydrophobicContact CB-CG 4.48Å; I941-Q978 HydrophobicContact CG1-CG 3.71Å; I941-Q978 HydrophobicContact CG2-CG 4.11Å; M945-Q978 HydrophobicContact CE-CB 4.28Å; M945-Q978 HydrophobicContact CE-CG 3.88Å; L974-Q978 PolarHBondContact O-N 3.29Å; H975-Q978 CarbonylContact O-C 3.58Å; H975-Q978 PolarHBondContact O-N 2.94Å; H975-Q978 VanDerWaalsContact O-N 3.11Å; M976-Q978 PolarHBondContact O-N 3.09Å; Q978-N980 PolarHBondContact O-N 3.16Å; Q978-N980 VanDerWaalsContact O-N 3.14Å; Q978-N980 PolarHBondContact O-OD1 2.72Å
979E90.2Very high92.9Very high136 Ų13633.5 Ų33.564%0.63616%0.159SC*.THydrogen-bonded Turntrans57.126.4-177.5-55.6-178.2175.500113.4H975 M976 Y981H975-E979 PolarHBondContact O-N 3.07Å; H975-E979 VanDerWaalsContact O-N 3.09Å; M976-E979 PolarHBondContact O-N 3.11Å; E979-Y981 HydrophobicContact CB-CE2 3.95Å; E979-Y981 WeakPolarHBondContact O-CD2 3.49Å; E979-Y981 PolarHBondContact O-N 3.06Å
980N92.2Very high92.8Very high10 Ų1035.3 Ų35.35%0.05317%0.169CC..  trans-79.963175.5-65.3-24.7000110.4H975 Q978 V982 E983 A984 R1211H975-N980 HydrophobicContact CB-CB 3.99Å; H975-N980 PolarHBondContact ND1-ND2 3.21Å; H975-N980 PolarHBondContact O-N 2.95Å; Q978-N980 PolarHBondContact O-N 3.16Å; Q978-N980 VanDerWaalsContact O-N 3.14Å; Q978-N980 PolarHBondContact O-OD1 2.72Å; N980-V982 VanDerWaalsContact C-N 3.29Å; N980-V982 PolarHBondContact O-N 3.49Å; N980-E983 HydrophobicContact CB-CB 4.29Å; N980-E983 PolarHBondContact O-N 3.01Å; N980-A984 WeakPolarHBondContact O-CB 3.45Å; N980-A984 PolarHBondContact O-N 2.66Å; N980-R1211 VanDerWaalsContact CG-CD 3.43Å; N980-R1211 VanDerWaalsContact OD1-CD 3.24Å; N980-R1211 WeakPolarHBondContact OD1-CD 3.23Å; N980-R1211 PolarHBondContact OD1-NH1 3.43Å
981Y93.4Very high92.9Very high54 Ų5432.8 Ų32.821%0.21216%0.158CC..Hα-helixtrans-61.8-34.6-170-58.1-61.1000113.6M976 E979 A985 L1031 R1034M976-Y981 HydrophobicContact CE-CD1 4.37Å; M976-Y981 HydrophobicContact CE-CE1 4.16Å; M976-Y981 HydrophobicContact SD-CD1 4.17Å; M976-Y981 HydrophobicContact SD-CE1 4.45Å; E979-Y981 HydrophobicContact CB-CE2 3.95Å; E979-Y981 WeakPolarHBondContact O-CD2 3.49Å; E979-Y981 PolarHBondContact O-N 3.06Å; Y981-A985 WeakPolarHBondContact O-CB 3.39Å; Y981-A985 PolarHBondContact O-N 3.39Å; Y981-L1031 WeakPolarHBondContact CB-O 3.4Å; Y981-L1031 HydrophobicContact CD1-CD2 4.05Å; Y981-R1034 HydrophobicContact CD1-CB 4.44Å; Y981-R1034 HydrophobicContact CD2-CB 3.98Å; Y981-R1034 HydrophobicContact CE2-CB 4.41Å; Y981-R1034 HydrophobicContact CG-CB 3.99Å
982V91.4Very high92.6Very high7 Ų733 Ų334%0.04216%0.159CC..Hα-helixtrans-66-48.8178.2173.90000110.7N980 A984 A985 L986 F1032 L1037 P1207N980-V982 VanDerWaalsContact C-N 3.29Å; N980-V982 PolarHBondContact O-N 3.49Å; V982-A984 VanDerWaalsContact C-N 3.32Å; V982-A985 WeakPolarHBondContact O-CB 3.44Å; V982-A985 PolarHBondContact O-N 2.9Å; V982-L986 HydrophobicContact CG1-CD1 4.12Å; V982-L986 WeakPolarHBondContact O-CG 3.41Å; V982-L986 PolarHBondContact O-N 3.32Å; V982-F1032 HydrophobicContact CG1-CE1 4.37Å; V982-L1037 HydrophobicContact CG1-CD2 3.63Å; V982-L1037 HydrophobicContact CG2-CB 3.84Å; V982-L1037 HydrophobicContact CG2-CD2 4.4Å; V982-P1207 HydrophobicContact CG1-CB 3.82Å; V982-P1207 HydrophobicContact CG1-CG 3.88Å
983E94.4Very high92.3Very high5 Ų537.5 Ų37.52%0.02319%0.185CC..Hα-helixtrans-70-32.1-179.4-64.474.3-16300111.4N980 L986 T987 R1085 G1208 R1211N980-E983 HydrophobicContact CB-CB 4.29Å; N980-E983 PolarHBondContact O-N 3.01Å; E983-L986 PolarHBondContact O-N 3.11Å; E983-T987 WeakPolarHBondContact O-CB 3.37Å; E983-T987 PolarHBondContact O-N 3.39Å; E983-T987 PolarHBondContact O-OG1 2.98Å; E983-R1085 IonicContact OE1-NH1 2.84Å; E983-R1085 PolarHBondContact OE1-NH1 2.84Å; E983-R1085 VanDerWaalsContact OE1-NH1 3.12Å; E983-G1208 WeakPolarHBondContact CG-O 3.32Å; E983-R1211 HydrophobicContact CG-CG 3.59Å
984A94.5Very high92Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-60.2-47168.900000111.5Y972 H975 M976 N980 V982 T987 L988 L1031Y972-A984 HydrophobicContact CD2-CB 3.87Å; Y972-A984 HydrophobicContact CE2-CB 3.88Å; H975-A984 HydrophobicContact CB-CB 3.79Å; M976-A984 HydrophobicContact CG-CB 4.48Å; M976-A984 HydrophobicContact SD-CB 3.99Å; N980-A984 WeakPolarHBondContact O-CB 3.45Å; N980-A984 PolarHBondContact O-N 2.66Å; V982-A984 VanDerWaalsContact C-N 3.32Å; A984-T987 WeakPolarHBondContact O-CB 3.48Å; A984-T987 PolarHBondContact O-N 2.96Å; A984-L988 PolarHBondContact O-N 2.89Å; A984-L1031 HydrophobicContact CB-CD1 4.42Å
985A93Very high91.8Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-62.8-43.6177.100000112.1Y981 V982 T987 L988 A989 L1031 F1032Y981-A985 WeakPolarHBondContact O-CB 3.39Å; Y981-A985 PolarHBondContact O-N 3.39Å; V982-A985 WeakPolarHBondContact O-CB 3.44Å; V982-A985 PolarHBondContact O-N 2.9Å; A985-T987 VanDerWaalsContact C-N 3.26Å; A985-T987 PolarHBondContact O-N 2.59Å; A985-L988 PolarHBondContact O-N 3.29Å; A985-A989 PolarHBondContact O-N 2.8Å; A985-L1031 HydrophobicContact CB-CB 3.74Å; A985-L1031 HydrophobicContact CB-CD1 4.29Å; A985-F1032 HydrophobicContact CB-CD1 3.75Å; A985-F1032 HydrophobicContact CB-CD2 4.09Å; A985-F1032 HydrophobicContact CB-CE1 3.49Å; A985-F1032 VanDerWaalsContact CB-CE1 3.49Å; A985-F1032 HydrophobicContact CB-CE2 3.85Å; A985-F1032 HydrophobicContact CB-CG 4.04Å; A985-F1032 HydrophobicContact CB-CZ 3.53Å
986L93.6Very high91.4Very high27 Ų2742 Ų4214%0.14121%0.208CC..Hα-helixtrans-65-31.3176.1-67.9171.1000112.4V982 E983 A989 L990 F1032 P1207 G1208 I1209V982-L986 HydrophobicContact CG1-CD1 4.12Å; V982-L986 WeakPolarHBondContact O-CG 3.41Å; V982-L986 PolarHBondContact O-N 3.32Å; E983-L986 PolarHBondContact O-N 3.11Å; L986-A989 WeakPolarHBondContact O-CB 3.36Å; L986-A989 PolarHBondContact O-N 3.48Å; L986-L990 PolarHBondContact O-N 3.32Å; L986-F1032 HydrophobicContact CD2-CE1 4.34Å; L986-F1032 HydrophobicContact CD2-CZ 4.06Å; L986-F1032 HydrophobicContact CG-CE1 4.27Å; L986-F1032 HydrophobicContact CG-CZ 4.33Å; L986-P1207 HydrophobicContact CD1-CB 3.83Å; L986-P1207 HydrophobicContact CD1-CG 4.12Å; L986-G1208 WeakPolarHBondContact CD1-O 3.44Å; L986-I1209 HydrophobicContact CB-CG2 4.5Å
987T95.4Very high91Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-66.6-42.2172.8-58.10000110.9L968 L971 E983 A984 A985 A989 L990L968-T987 HydrophobicContact CD2-CG2 3.9Å; L968-T987 WeakPolarHBondContact CD2-O 3.5Å; L968-T987 HydrophobicContact CG-CG2 3.9Å; L968-T987 WeakPolarHBondContact O-CG2 3.37Å; L971-T987 HydrophobicContact CB-CG2 4.18Å; L971-T987 HydrophobicContact CD2-CG2 3.94Å; L971-T987 HydrophobicContact CG-CG2 4.09Å; E983-T987 WeakPolarHBondContact O-CB 3.37Å; E983-T987 PolarHBondContact O-N 3.39Å; E983-T987 PolarHBondContact O-OG1 2.98Å; A984-T987 WeakPolarHBondContact O-CB 3.48Å; A984-T987 PolarHBondContact O-N 2.96Å; A985-T987 VanDerWaalsContact C-N 3.26Å; A985-T987 PolarHBondContact O-N 2.59Å; T987-A989 VanDerWaalsContact C-N 3.28Å; T987-A989 PolarHBondContact O-N 3.19Å; T987-L990 WeakPolarHBondContact O-CB 3.34Å; T987-L990 PolarHBondContact O-N 2.89Å
988L92.9Very high90.8Very high0 Ų043.2 Ų43.20%021%0.209CC..Hα-helixtrans-66.2-29.3173.6-67.3-176.6000113L968 Y969 Y972 A984 A985 L990 H991 A992 L1024 Q1027 M1028 L1031L968-L988 HydrophobicContact CD2-CD2 4.45Å; Y969-L988 HydrophobicContact CE1-CD2 3.88Å; Y972-L988 HydrophobicContact CD2-CD1 4.12Å; Y972-L988 HydrophobicContact CD2-CD2 3.84Å; Y972-L988 HydrophobicContact CD2-CG 3.71Å; Y972-L988 HydrophobicContact CE2-CD1 3.66Å; Y972-L988 HydrophobicContact CE2-CD2 4.15Å; Y972-L988 HydrophobicContact CE2-CG 3.8Å; Y972-L988 HydrophobicContact CG-CD2 4.23Å; A984-L988 PolarHBondContact O-N 2.89Å; A985-L988 PolarHBondContact O-N 3.29Å; L988-L990 PolarHBondContact O-N 3.48Å; L988-H991 WeakPolarHBondContact O-CB 3.47Å; L988-H991 PolarHBondContact O-N 3.32Å; L988-A992 PolarHBondContact O-N 2.95Å; L988-L1024 HydrophobicContact CD2-CD2 4.22Å; L988-Q1027 HydrophobicContact CD1-CB 4.22Å; L988-M1028 HydrophobicContact CB-CG 3.88Å; L988-M1028 HydrophobicContact CB-SD 4.35Å; L988-L1031 HydrophobicContact CD1-CD1 3.78Å
989A91.5Very high90.8Very high22 Ų2243.2 Ų43.218%0.18221%0.212CC..Hα-helixtrans-59.7-36.5175.800000111.8A985 L986 T987 H991 A992 D993 M1028A985-A989 PolarHBondContact O-N 2.8Å; L986-A989 WeakPolarHBondContact O-CB 3.36Å; L986-A989 PolarHBondContact O-N 3.48Å; T987-A989 VanDerWaalsContact C-N 3.28Å; T987-A989 PolarHBondContact O-N 3.19Å; A989-H991 VanDerWaalsContact C-N 3.28Å; A989-H991 PolarHBondContact O-N 3.39Å; A989-A992 WeakPolarHBondContact O-CB 3.14Å; A989-A992 PolarHBondContact O-N 3.01Å; A989-A992 VanDerWaalsContact O-N 3.16Å; A989-D993 PolarHBondContact O-N 2.75Å; A989-M1028 WeakPolarHBondContact CA-SD 3.41Å; A989-M1028 HydrophobicContact CB-SD 3.66Å; A989-M1028 PolarHBondContact N-SD 3.14Å
990L92.6Very high90.5Very high46 Ų4639 Ų3924%0.24120%0.198CC..Hα-helixtrans-60.4-38174-63.7-175.2000112.4L952 L968 L986 T987 L988 D993 C994 I1209L952-L990 HydrophobicContact CD2-CD1 4.32Å; L968-L990 HydrophobicContact CD1-CB 3.8Å; L986-L990 PolarHBondContact O-N 3.32Å; T987-L990 WeakPolarHBondContact O-CB 3.34Å; T987-L990 PolarHBondContact O-N 2.89Å; L988-L990 PolarHBondContact O-N 3.48Å; L990-D993 PolarHBondContact O-N 2.81Å; L990-C994 PolarHBondContact O-N 3.23Å; L990-C994 PolarHBondContact O-SG 2.84Å; L990-C994 VanDerWaalsContact O-SG 3.35Å; L990-I1209 HydrophobicContact CD1-CD1 4.19Å; L990-I1209 HydrophobicContact CD1-CG2 3.75Å; L990-I1209 HydrophobicContact CG-CG2 4.14Å
991H92.5Very high90.1Very high0 Ų043.4 Ų43.40%023%0.227CC..Hα-helixtrans-70.1-41.3176.1-173.6-165.9000110.9L968 Y969 L988 A989 D993 C994 H1006 L1024L968-H991 HydrophobicContact CD1-CB 3.8Å; L968-H991 HydrophobicContact CD2-CB 4.08Å; Y969-H991 AromaticContact CE2-CE1 3.97Å; Y969-H991 AromaticContact CE2-ND1 3.62Å; Y969-H991 AromaticContact CZ-ND1 3.71Å; Y969-H991 PolarHBondContact OH-CE1 3.01Å; Y969-H991 PolarHBondContact OH-ND1 3.39Å; L988-H991 WeakPolarHBondContact O-CB 3.47Å; L988-H991 PolarHBondContact O-N 3.32Å; A989-H991 VanDerWaalsContact C-N 3.28Å; A989-H991 PolarHBondContact O-N 3.39Å; H991-D993 PolarHBondContact O-N 3.1Å; H991-C994 WeakPolarHBondContact O-CB 3.37Å; H991-C994 PolarHBondContact O-N 3.03Å; H991-H1006 PolarHBondContact CE1-O 3.02Å; H991-H1006 PolarHBondContact NE2-O 3.2Å; H991-L1024 HydrophobicContact CB-CD1 4.21Å
992A89.2Confident89.1Confident4 Ų441.9 Ų41.93%0.03322%0.224CC..Hα-helixtrans-60.4-35.4174.800000111.8L988 A989 C994 L995 K1021 L1024 M1028L988-A992 PolarHBondContact O-N 2.95Å; A989-A992 WeakPolarHBondContact O-CB 3.14Å; A989-A992 PolarHBondContact O-N 3.01Å; A989-A992 VanDerWaalsContact O-N 3.16Å; A992-C994 VanDerWaalsContact C-N 3.35Å; A992-C994 PolarHBondContact O-N 2.82Å; A992-L995 WeakPolarHBondContact O-CB 3.37Å; A992-L995 PolarHBondContact O-N 2.91Å; A992-L995 VanDerWaalsContact O-N 3.14Å; A992-K1021 HydrophobicContact CB-CG 4.43Å; A992-K1021 WeakPolarHBondContact O-CE 3.47Å; A992-K1021 PolarHBondContact O-NZ 3.12Å; A992-L1024 HydrophobicContact CB-CB 4.49Å; A992-L1024 HydrophobicContact CB-CD1 4.42Å; A992-M1028 HydrophobicContact CB-CE 3.97Å
993D88.7Confident88.1Confident121 Ų12147.6 Ų47.665%0.64725%0.248SC*.Hα-helixtrans-70.1-27.6178.6-73.3-18.6000113.4A989 L990 H991 L995A989-D993 PolarHBondContact O-N 2.75Å; L990-D993 PolarHBondContact O-N 2.81Å; H991-D993 PolarHBondContact O-N 3.1Å; D993-L995 PolarHBondContact O-N 3.03Å
994C86.5Confident86.6Confident36 Ų3651.6 Ų51.624%0.24328%0.282CS..THydrogen-bonded Turntrans-68-14.2170.9-62.50000113.4L990 H991 A992L990-C994 PolarHBondContact O-N 3.23Å; L990-C994 PolarHBondContact O-SG 2.84Å; L990-C994 VanDerWaalsContact O-SG 3.35Å; H991-C994 WeakPolarHBondContact O-CB 3.37Å; H991-C994 PolarHBondContact O-N 3.03Å; A992-C994 VanDerWaalsContact C-N 3.35Å; A992-C994 PolarHBondContact O-N 2.82Å
995L88.1Confident85Confident4 Ų455.3 Ų55.32%0.02130%0.299CS..SBendtrans-103.8142.2-175.6-59.1171.1000112A992 D993 Q1017 L1020 K1021 L1024A992-L995 WeakPolarHBondContact O-CB 3.37Å; A992-L995 PolarHBondContact O-N 2.91Å; A992-L995 VanDerWaalsContact O-N 3.14Å; D993-L995 PolarHBondContact O-N 3.03Å; L995-Q1017 HydrophobicContact CD2-CB 4.44Å; L995-Q1017 HydrophobicContact CD2-CG 4.27Å; L995-L1020 HydrophobicContact CD1-CB 4.04Å; L995-L1020 HydrophobicContact CD1-CD2 3.66Å; L995-L1020 HydrophobicContact CD1-CG 3.62Å; L995-L1020 HydrophobicContact CD2-CD2 4.14Å; L995-K1021 HydrophobicContact CB-CB 4.21Å; L995-K1021 HydrophobicContact CB-CD 4.09Å; L995-K1021 HydrophobicContact CB-CG 4.46Å; L995-K1021 HydrophobicContact CD1-CB 4.11Å; L995-K1021 PolarHBondContact O-NZ 2.97Å; L995-L1024 HydrophobicContact CD1-CD1 3.78Å
996K85.9Confident83.6Confident156 Ų15656.2 Ų56.268%0.67830%0.304SS*.  trans-95.6149.9173.1-62.7-177.8-179.1179.90110.1S998K996-S998 PolarHBondContact O-N 3.26Å
997W86.8Confident82.6Confident151 Ų15157.5 Ų57.557%0.57231%0.31SS*.SBendtrans-70.569.1169.8-72.4114.6000110.8R1018 K1021W997-R1018 HydrophobicContact CE3-CG 4.14Å; W997-R1018 HydrophobicContact CZ3-CG 4.31Å; W997-K1021 HydrophobicContact CD2-CD 3.9Å; W997-K1021 HydrophobicContact CE3-CD 4.31Å; W997-K1021 HydrophobicContact CG-CD 4.32Å; W997-K1021 HydrophobicContact CH2-CB 4.48Å; W997-K1021 HydrophobicContact CH2-CD 4.39Å; W997-K1021 HydrophobicContact CH2-CG 4.02Å; W997-K1021 HydrophobicContact CZ2-CD 3.99Å; W997-K1021 HydrophobicContact CZ2-CG 3.98Å; W997-K1021 HydrophobicContact CZ3-CB 4.35Å; W997-K1021 HydrophobicContact CZ3-CG 4.31Å
998S85.4Confident81.7Confident31 Ų3159.6 Ų59.622%0.21732%0.32CS..SBendtrans-137.7149.1-172.975.50000112K996 S1000 Q1017 R1018K996-S998 PolarHBondContact O-N 3.26Å; S998-S1000 PolarHBondContact O-N 3.46Å; S998-S1000 PolarHBondContact OG-OG 2.99Å; S998-Q1017 PolarHBondContact OG-OE1 3.43Å; S998-R1018 PolarHBondContact O-N 3.43Å
999D89Confident80.7Confident97 Ų9763.2 Ų63.252%0.51935%0.345SS..  trans-80.712.2174.3-63-55.1000113.1R1018D999-R1018 IonicContact OD1-CZ 3.92Å; D999-R1018 IonicContact OD1-NE 2.83Å; D999-R1018 IonicContact OD1-NH1 2.96Å; D999-R1018 PolarHBondContact OD1-NH1 2.85Å; D999-R1018 IonicContact OD1-NH2 2.75Å; D999-R1018 IonicContact OD2-CZ 2.67Å; D999-R1018 VanDerWaalsContact OD2-CZ 3.24Å; D999-R1018 IonicContact OD2-NH1 2.68Å; D999-R1018 PolarHBondContact OD2-NH1 3.47Å; D999-R1018 IonicContact OD2-NH2 3.26Å; D999-R1018 PolarHBondContact OD2-NH2 3.27Å
1000S84Confident79.9Confident47 Ų4765.7 Ų65.733%0.32936%0.361SS..SBendtrans-67.4142.4176.465.20000110.4S998 T1002 T1016 Q1017S998-S1000 PolarHBondContact O-N 3.46Å; S998-S1000 PolarHBondContact OG-OG 2.99Å; S1000-T1002 PolarHBondContact O-N 3.45Å; S1000-T1016 WeakPolarHBondContact O-CA 3.18Å; S1000-Q1017 PolarHBondContact O-N 3.25Å; S1000-Q1017 PolarHBondContact OG-NE2 3.12Å
1001P83.3Confident79.4Confident104 Ų10463.7 Ų63.768%0.67535%0.351SS*.BIsolated β-bridgetrans-60.6136.3179.424.5-33.1000110.1K1003P1001-K1003 PolarHBondContact O-N 2.96Å
1002T72.9Confident78.5Confident22 Ų2270.4 Ų70.414%0.13538%0.382CS..PPolyproline II helixtrans-68.9124.3175.9-54.60000108.6S1000 A1004 H1006 L1007 R1015 T1016 Q1017 L1020S1000-T1002 PolarHBondContact O-N 3.45Å; T1002-A1004 PolarHBondContact O-N 2.92Å; T1002-H1006 HydrophobicContact CG2-CB 3.83Å; T1002-L1007 HydrophobicContact CG2-CD1 4.34Å; T1002-R1015 PolarHBondContact N-O 2.9Å; T1002-T1016 PolarHBondContact OG1-O 3.23Å; T1002-T1016 VanDerWaalsContact OG1-O 3.07Å; T1002-Q1017 PolarHBondContact OG1-N 2.98Å; T1002-Q1017 VanDerWaalsContact OG1-N 3.14Å; T1002-L1020 HydrophobicContact CG2-CD2 3.89Å
1003K71Confident77.9Confident126 Ų12675.2 Ų75.255%0.54842%0.415SS..PPolyproline II helixtrans-58.2135.6171.7-66.4-176177.3-173.50108P1001 Q1005 H1006P1001-K1003 PolarHBondContact O-N 2.96Å; K1003-Q1005 HydrophobicContact CB-CB 4.41Å; K1003-Q1005 HydrophobicContact CB-CG 3.88Å; K1003-Q1005 HydrophobicContact CD-CG 4.5Å; K1003-Q1005 PolarHBondContact O-N 3.11Å; K1003-H1006 PolarHBondContact O-N 3.15Å
1004A61Low77.6Confident90 Ų9070.2 Ų70.274%0.74439%0.389SS*.G310 helixtrans-50.2-35.2-179.700000112.3T1002 H1006 L1007T1002-A1004 PolarHBondContact O-N 2.92Å; A1004-H1006 PolarHBondContact O-N 3.39Å; A1004-L1007 WeakPolarHBondContact O-CB 3.3Å; A1004-L1007 PolarHBondContact O-N 2.83Å
1005Q61.7Low77.4Confident77 Ų7778.4 Ų78.436%0.3642%0.415SS..G310 helixtrans-56.2-25.1175.4106.4-175.74.100114.2D962 K1003D962-Q1005 WeakPolarHBondContact OD1-CB 3.17Å; D962-Q1005 WeakPolarHBondContact OD1-CG 3.47Å; K1003-Q1005 HydrophobicContact CB-CB 4.41Å; K1003-Q1005 HydrophobicContact CB-CG 3.88Å; K1003-Q1005 HydrophobicContact CD-CG 4.5Å; K1003-Q1005 PolarHBondContact O-N 3.11Å
1006H64.5Low77.4Confident20 Ų2079.4 Ų79.49%0.09342%0.421CS..G310 helixtrans-97.1-0.5177.5-60.9-178.1000113.8I965 H991 T1002 K1003 A1004I965-H1006 HydrophobicContact CD1-CB 4.05Å; H991-H1006 PolarHBondContact CE1-O 3.02Å; H991-H1006 PolarHBondContact NE2-O 3.2Å; T1002-H1006 HydrophobicContact CG2-CB 3.83Å; K1003-H1006 PolarHBondContact O-N 3.15Å; A1004-H1006 PolarHBondContact O-N 3.39Å
1007L71.7Confident77.5Confident54 Ų5473.2 Ų73.228%0.28340%0.395SS..  trans-98.9120.6-174.1-155.972.7000110.7T1002 A1004 F1011 C1014 L1020T1002-L1007 HydrophobicContact CG2-CD1 4.34Å; A1004-L1007 WeakPolarHBondContact O-CB 3.3Å; A1004-L1007 PolarHBondContact O-N 2.83Å; L1007-F1011 HydrophobicContact CD1-CB 4.41Å; L1007-F1011 WeakPolarHBondContact CD1-O 3.47Å; L1007-C1014 HydrophobicContact CD1-CB 4.43Å; L1007-L1020 HydrophobicContact CD1-CD1 4.47Å; L1007-L1020 HydrophobicContact CD1-CD2 4.31Å
1008H75.9Confident77.7Confident44 Ų4470.3 Ų70.320%0.20438%0.384CS..  trans-87.7155.4170-176.6-102.5000111Y969 S1010 F1011Y969-H1008 AromaticContact CD1-CD2 3.9Å; Y969-H1008 AromaticContact CD1-CE1 3.7Å; Y969-H1008 AromaticContact CD1-CG 3.81Å; Y969-H1008 AromaticContact CD1-ND1 3.67Å; Y969-H1008 AromaticContact CD1-NE2 3.86Å; Y969-H1008 HydrophobicContact CD2-CB 3.85Å; Y969-H1008 AromaticContact CD2-CD2 3.46Å; Y969-H1008 VanDerWaalsContact CD2-CD2 3.46Å; Y969-H1008 WeakPolarHBondContact CD2-CD2 3.31Å; Y969-H1008 AromaticContact CD2-CG 3.61Å; Y969-H1008 HydrophobicContact CE1-CB 4.12Å; Y969-H1008 AromaticContact CE1-CG 3.73Å; Y969-H1008 AromaticContact CE1-ND1 3.58Å; Y969-H1008 HydrophobicContact CE2-CB 3.32Å; Y969-H1008 AromaticContact CE2-CD2 3.9Å; Y969-H1008 AromaticContact CE2-CG 3.54Å; Y969-H1008 HydrophobicContact CG-CB 4.44Å; Y969-H1008 AromaticContact CG-CD2 3.45Å; Y969-H1008 VanDerWaalsContact CG-CD2 3.45Å; Y969-H1008 AromaticContact CG-CE1 3.99Å; Y969-H1008 AromaticContact CG-CG 3.74Å; Y969-H1008 AromaticContact CG-NE2 3.66Å; Y969-H1008 VanDerWaalsContact CZ-CB 3.46Å; Y969-H1008 AromaticContact CZ-CG 3.58Å; Y969-H1008 AromaticContact CZ-ND1 3.87Å; H1008-S1010 PolarHBondContact CE1-OG 3.44Å; H1008-S1010 VanDerWaalsContact CE1-OG 3.25Å; H1008-S1010 PolarHBondContact ND1-N 2.94Å; H1008-S1010 PolarHBondContact ND1-OG 3.36Å; H1008-S1010 PolarHBondContact O-N 2.91Å; H1008-F1011 HydrophobicContact CB-CD2 4.27Å; H1008-F1011 PolarHBondContact O-N 3.3Å
1009S72.3Confident77.9Confident75 Ų7571.7 Ų71.752%0.52439%0.389SS..G310 helixtrans-60.3-21.2-175.162.50000114.4F1011 H1012S1009-F1011 VanDerWaalsContact C-N 3.27Å; S1009-F1011 PolarHBondContact O-N 2.98Å; S1009-H1012 WeakPolarHBondContact CA-CE1 3.45Å; S1009-H1012 PolarHBondContact O-CE1 2.86Å; S1009-H1012 PolarHBondContact O-ND1 3.22Å
1010S75.2Confident77.9Confident74 Ų7467 Ų6752%0.51736%0.364SS..G310 helixtrans-74.7-12.9175.5-46.20000113.9H1008H1008-S1010 PolarHBondContact CE1-OG 3.44Å; H1008-S1010 VanDerWaalsContact CE1-OG 3.25Å; H1008-S1010 PolarHBondContact ND1-N 2.94Å; H1008-S1010 PolarHBondContact ND1-OG 3.36Å; H1008-S1010 PolarHBondContact O-N 2.91Å
1011F81.5Confident78.2Confident5 Ų566 Ų662%0.02235%0.354CS..G310 helixtrans-125.925.4-170.4-58.7-85000114.2Y969 L1007 H1008 S1009 S1013 C1014 L1020 A1023 L1024 Q1027Y969-F1011 HydrophobicContact CE1-CE2 4.19Å; Y969-F1011 WeakPolarHBondContact OH-CE2 3.47Å; L1007-F1011 HydrophobicContact CD1-CB 4.41Å; L1007-F1011 WeakPolarHBondContact CD1-O 3.47Å; H1008-F1011 HydrophobicContact CB-CD2 4.27Å; H1008-F1011 PolarHBondContact O-N 3.3Å; S1009-F1011 VanDerWaalsContact C-N 3.27Å; S1009-F1011 PolarHBondContact O-N 2.98Å; F1011-S1013 PolarHBondContact O-N 2.75Å; F1011-C1014 WeakPolarHBondContact O-CB 3.05Å; F1011-C1014 PolarHBondContact O-N 3.11Å; F1011-L1020 HydrophobicContact CB-CD1 3.54Å; F1011-L1020 HydrophobicContact CD1-CD1 3.95Å; F1011-L1020 HydrophobicContact CD2-CD1 4.13Å; F1011-L1020 HydrophobicContact CG-CD1 3.61Å; F1011-A1023 HydrophobicContact CD1-CB 3.82Å; F1011-A1023 HydrophobicContact CE1-CB 3.87Å; F1011-L1024 HydrophobicContact CE1-CD2 4.22Å; F1011-L1024 HydrophobicContact CE1-CG 4.49Å; F1011-L1024 HydrophobicContact CE2-CD2 3.85Å; F1011-L1024 HydrophobicContact CZ-CD2 3.55Å; F1011-L1024 HydrophobicContact CZ-CG 4.28Å; F1011-Q1027 VanDerWaalsContact CZ-CD 3.42Å; F1011-Q1027 VanDerWaalsContact CZ-OE1 3.31Å
1012H73.3Confident78.5Confident140 Ų14065.7 Ų65.765%0.64834%0.343SS*.THydrogen-bonded Turntrans-54.3-20.4-179-69.7109000115.2S1009S1009-H1012 WeakPolarHBondContact CA-CE1 3.45Å; S1009-H1012 PolarHBondContact O-CE1 2.86Å; S1009-H1012 PolarHBondContact O-ND1 3.22Å
1013S77.1Confident79.2Confident106 Ų10665.8 Ų65.874%0.74135%0.346SS*.THydrogen-bonded Turntrans-78-16.8178.152.30000114.3F1011F1011-S1013 PolarHBondContact O-N 2.75Å
1014C83Confident80.1Confident15 Ų1559.8 Ų59.810%0.10132%0.32CS..  trans-81.7124.3-175.6-60.60000110.7L1007 F1011 D1019 L1020L1007-C1014 HydrophobicContact CD1-CB 4.43Å; F1011-C1014 WeakPolarHBondContact O-CB 3.05Å; F1011-C1014 PolarHBondContact O-N 3.11Å; C1014-D1019 HydrophobicContact CB-CB 4Å; C1014-L1020 HydrophobicContact CB-CB 4.04Å; C1014-L1020 HydrophobicContact CB-CD1 4.41Å
1015R83Confident81.4Confident209 Ų20957 Ų5779%0.78930%0.295SS*.  trans-99.7-37-175.7-62.8-171179-155.50.3112.6T1002 D1019T1002-R1015 PolarHBondContact N-O 2.9Å; R1015-D1019 PolarHBondContact N-OD2 3.2Å; R1015-D1019 VanDerWaalsContact N-OD2 3.12Å
1016T88.1Confident82.7Confident24 Ų2457.3 Ų57.315%0.14730%0.298CS..BIsolated β-bridgetrans-107.6161.5-179.475.20000112.2S1000 T1002 R1018 D1019 L1020S1000-T1016 WeakPolarHBondContact O-CA 3.18Å; T1002-T1016 PolarHBondContact OG1-O 3.23Å; T1002-T1016 VanDerWaalsContact OG1-O 3.07Å; T1016-R1018 PolarHBondContact O-N 2.96Å; T1016-R1018 PolarHBondContact OG1-N 3.23Å; T1016-D1019 PolarHBondContact N-OD2 2.8Å; T1016-D1019 PolarHBondContact O-N 3.21Å; T1016-D1019 PolarHBondContact OG1-N 3.38Å; T1016-D1019 PolarHBondContact OG1-OD1 2.74Å; T1016-D1019 PolarHBondContact OG1-OD2 3.38Å; T1016-L1020 PolarHBondContact O-N 3.23Å; T1016-L1020 VanDerWaalsContact O-N 3.14Å
1017Q88Confident83.9Confident26 Ų2659.1 Ų59.112%0.12131%0.307CS..Hα-helixtrans-61.6-33.9173.3-66.9-1747.600111.7L995 S998 S1000 T1002 K1021L995-Q1017 HydrophobicContact CD2-CB 4.44Å; L995-Q1017 HydrophobicContact CD2-CG 4.27Å; S998-Q1017 PolarHBondContact OG-OE1 3.43Å; S1000-Q1017 PolarHBondContact O-N 3.25Å; S1000-Q1017 PolarHBondContact OG-NE2 3.12Å; T1002-Q1017 PolarHBondContact OG1-N 2.98Å; T1002-Q1017 VanDerWaalsContact OG1-N 3.14Å; Q1017-K1021 VanDerWaalsContact O-CB 3.25Å; Q1017-K1021 WeakPolarHBondContact O-CB 3.28Å; Q1017-K1021 PolarHBondContact O-N 2.99Å
1018R89.6Confident84.8Confident90 Ų9057.7 Ų57.734%0.3430%0.299SS..Hα-helixtrans-60.5-51.4172.5178.8178.2-64.2142.911.6111.1W997 S998 D999 T1016 L1020 K1021 E1022W997-R1018 HydrophobicContact CE3-CG 4.14Å; W997-R1018 HydrophobicContact CZ3-CG 4.31Å; S998-R1018 PolarHBondContact O-N 3.43Å; D999-R1018 IonicContact OD1-CZ 3.92Å; D999-R1018 IonicContact OD1-NE 2.83Å; D999-R1018 IonicContact OD1-NH1 2.96Å; D999-R1018 PolarHBondContact OD1-NH1 2.85Å; D999-R1018 IonicContact OD1-NH2 2.75Å; D999-R1018 IonicContact OD2-CZ 2.67Å; D999-R1018 VanDerWaalsContact OD2-CZ 3.24Å; D999-R1018 IonicContact OD2-NH1 2.68Å; D999-R1018 PolarHBondContact OD2-NH1 3.47Å; D999-R1018 IonicContact OD2-NH2 3.26Å; D999-R1018 PolarHBondContact OD2-NH2 3.27Å; T1016-R1018 PolarHBondContact O-N 2.96Å; T1016-R1018 PolarHBondContact OG1-N 3.23Å; R1018-L1020 VanDerWaalsContact C-N 3.28Å; R1018-L1020 PolarHBondContact O-N 2.89Å; R1018-K1021 PolarHBondContact O-N 3.46Å; R1018-E1022 WeakPolarHBondContact O-CB 3.39Å; R1018-E1022 PolarHBondContact O-N 3.39Å
1019D89.6Confident85.3Confident60 Ų6056.9 Ų56.932%0.32130%0.296SS..Hα-helixtrans-56.6-45.4-179.4-53.8-19.1000111C1014 R1015 T1016 E1022 A1023C1014-D1019 HydrophobicContact CB-CB 4Å; R1015-D1019 PolarHBondContact N-OD2 3.2Å; R1015-D1019 VanDerWaalsContact N-OD2 3.12Å; T1016-D1019 PolarHBondContact N-OD2 2.8Å; T1016-D1019 PolarHBondContact O-N 3.21Å; T1016-D1019 PolarHBondContact OG1-N 3.38Å; T1016-D1019 PolarHBondContact OG1-OD1 2.74Å; T1016-D1019 PolarHBondContact OG1-OD2 3.38Å; D1019-E1022 PolarHBondContact O-N 3.36Å; D1019-A1023 WeakPolarHBondContact O-CB 3.45Å; D1019-A1023 PolarHBondContact O-N 3.3Å
1020L89.2Confident86.2Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-67.1-43.4179.8-17960.4000111.6L995 T1002 L1007 F1011 C1014 T1016 R1018 E1022 A1023 L1024L995-L1020 HydrophobicContact CD1-CB 4.04Å; L995-L1020 HydrophobicContact CD1-CD2 3.66Å; L995-L1020 HydrophobicContact CD1-CG 3.62Å; L995-L1020 HydrophobicContact CD2-CD2 4.14Å; T1002-L1020 HydrophobicContact CG2-CD2 3.89Å; L1007-L1020 HydrophobicContact CD1-CD1 4.47Å; L1007-L1020 HydrophobicContact CD1-CD2 4.31Å; F1011-L1020 HydrophobicContact CB-CD1 3.54Å; F1011-L1020 HydrophobicContact CD1-CD1 3.95Å; F1011-L1020 HydrophobicContact CD2-CD1 4.13Å; F1011-L1020 HydrophobicContact CG-CD1 3.61Å; C1014-L1020 HydrophobicContact CB-CB 4.04Å; C1014-L1020 HydrophobicContact CB-CD1 4.41Å; T1016-L1020 PolarHBondContact O-N 3.23Å; T1016-L1020 VanDerWaalsContact O-N 3.14Å; R1018-L1020 VanDerWaalsContact C-N 3.28Å; R1018-L1020 PolarHBondContact O-N 2.89Å; L1020-E1022 VanDerWaalsContact C-N 3.31Å; L1020-E1022 PolarHBondContact O-N 2.86Å; L1020-A1023 PolarHBondContact O-N 2.67Å; L1020-L1024 HydrophobicContact CD1-CD1 4.3Å; L1020-L1024 HydrophobicContact CD1-CG 4.31Å; L1020-L1024 HydrophobicContact CG-CD1 4.06Å; L1020-L1024 WeakPolarHBondContact O-CB 3.24Å; L1020-L1024 VanDerWaalsContact O-CG 3.26Å; L1020-L1024 WeakPolarHBondContact O-CG 3.19Å; L1020-L1024 PolarHBondContact O-N 2.83Å
1021K90.5Very high86.9Confident26 Ų2654.9 Ų54.911%0.11327%0.271CS..Hα-helixtrans-65.1-36.2178.8-169.1165.7-177.21340111.7A992 L995 W997 Q1017 R1018 S1025A992-K1021 HydrophobicContact CB-CG 4.43Å; A992-K1021 WeakPolarHBondContact O-CE 3.47Å; A992-K1021 PolarHBondContact O-NZ 3.12Å; L995-K1021 HydrophobicContact CB-CB 4.21Å; L995-K1021 HydrophobicContact CB-CD 4.09Å; L995-K1021 HydrophobicContact CB-CG 4.46Å; L995-K1021 HydrophobicContact CD1-CB 4.11Å; L995-K1021 PolarHBondContact O-NZ 2.97Å; W997-K1021 HydrophobicContact CD2-CD 3.9Å; W997-K1021 HydrophobicContact CE3-CD 4.31Å; W997-K1021 HydrophobicContact CG-CD 4.32Å; W997-K1021 HydrophobicContact CH2-CB 4.48Å; W997-K1021 HydrophobicContact CH2-CD 4.39Å; W997-K1021 HydrophobicContact CH2-CG 4.02Å; W997-K1021 HydrophobicContact CZ2-CD 3.99Å; W997-K1021 HydrophobicContact CZ2-CG 3.98Å; W997-K1021 HydrophobicContact CZ3-CB 4.35Å; W997-K1021 HydrophobicContact CZ3-CG 4.31Å; Q1017-K1021 VanDerWaalsContact O-CB 3.25Å; Q1017-K1021 WeakPolarHBondContact O-CB 3.28Å; Q1017-K1021 PolarHBondContact O-N 2.99Å; R1018-K1021 PolarHBondContact O-N 3.46Å; K1021-S1025 WeakPolarHBondContact O-CB 3.39Å; K1021-S1025 PolarHBondContact O-N 3.42Å; K1021-S1025 PolarHBondContact O-OG 3.32Å
1022E88.7Confident87.3Confident97 Ų9755.2 Ų55.245%0.45327%0.272SS..Hα-helixtrans-67.4-47.6173.8-171.7178.1164.400111.7R1018 D1019 L1020 L1024 S1025 L1026R1018-E1022 WeakPolarHBondContact O-CB 3.39Å; R1018-E1022 PolarHBondContact O-N 3.39Å; D1019-E1022 PolarHBondContact O-N 3.36Å; L1020-E1022 VanDerWaalsContact C-N 3.31Å; L1020-E1022 PolarHBondContact O-N 2.86Å; E1022-L1024 VanDerWaalsContact C-N 3.34Å; E1022-L1024 PolarHBondContact O-N 2.86Å; E1022-S1025 WeakPolarHBondContact O-CA 3.44Å; E1022-S1025 WeakPolarHBondContact O-CB 3.5Å; E1022-S1025 PolarHBondContact O-N 3.01Å; E1022-L1026 WeakPolarHBondContact O-CG 3.28Å; E1022-L1026 PolarHBondContact O-N 3.46Å
1023A89.1Confident88Confident24 Ų2450.3 Ų50.320%0.19825%0.251CS..Hα-helixtrans-60-42.4177.200000112.3F1011 D1019 L1020 S1025 L1026 Q1027F1011-A1023 HydrophobicContact CD1-CB 3.82Å; F1011-A1023 HydrophobicContact CE1-CB 3.87Å; D1019-A1023 WeakPolarHBondContact O-CB 3.45Å; D1019-A1023 PolarHBondContact O-N 3.3Å; L1020-A1023 PolarHBondContact O-N 2.67Å; A1023-S1025 VanDerWaalsContact C-N 3.34Å; A1023-L1026 PolarHBondContact O-N 2.99Å; A1023-Q1027 PolarHBondContact O-N 3.5Å; A1023-Q1027 VanDerWaalsContact O-N 3.13Å
1024L90Very high88.6Confident0 Ų051.7 Ų51.70%024%0.239CC..Hα-helixtrans-62.3-41.8172.6-71.7168.2000111.4L988 H991 A992 L995 F1011 L1020 E1022 L1026 Q1027 M1028L988-L1024 HydrophobicContact CD2-CD2 4.22Å; H991-L1024 HydrophobicContact CB-CD1 4.21Å; A992-L1024 HydrophobicContact CB-CB 4.49Å; A992-L1024 HydrophobicContact CB-CD1 4.42Å; L995-L1024 HydrophobicContact CD1-CD1 3.78Å; F1011-L1024 HydrophobicContact CE1-CD2 4.22Å; F1011-L1024 HydrophobicContact CE1-CG 4.49Å; F1011-L1024 HydrophobicContact CE2-CD2 3.85Å; F1011-L1024 HydrophobicContact CZ-CD2 3.55Å; F1011-L1024 HydrophobicContact CZ-CG 4.28Å; L1020-L1024 HydrophobicContact CD1-CD1 4.3Å; L1020-L1024 HydrophobicContact CD1-CG 4.31Å; L1020-L1024 HydrophobicContact CG-CD1 4.06Å; L1020-L1024 WeakPolarHBondContact O-CB 3.24Å; L1020-L1024 VanDerWaalsContact O-CG 3.26Å; L1020-L1024 WeakPolarHBondContact O-CG 3.19Å; L1020-L1024 PolarHBondContact O-N 2.83Å; E1022-L1024 VanDerWaalsContact C-N 3.34Å; E1022-L1024 PolarHBondContact O-N 2.86Å; L1024-L1026 PolarHBondContact O-N 3.32Å; L1024-Q1027 PolarHBondContact O-N 2.92Å; L1024-M1028 VanDerWaalsContact O-CG 3.3Å; L1024-M1028 WeakPolarHBondContact O-CG 3.42Å; L1024-M1028 PolarHBondContact O-N 3.47Å
1025S88Confident88.7Confident31 Ų3152.2 Ų52.222%0.21725%0.248CC..Hα-helixtrans-61.8-41.7178-60.30000112.4K1021 E1022 A1023 M1028 I1029K1021-S1025 WeakPolarHBondContact O-CB 3.39Å; K1021-S1025 PolarHBondContact O-N 3.42Å; K1021-S1025 PolarHBondContact O-OG 3.32Å; E1022-S1025 WeakPolarHBondContact O-CA 3.44Å; E1022-S1025 WeakPolarHBondContact O-CB 3.5Å; E1022-S1025 PolarHBondContact O-N 3.01Å; A1023-S1025 VanDerWaalsContact C-N 3.34Å; S1025-M1028 PolarHBondContact O-N 3.45Å; S1025-I1029 VanDerWaalsContact O-CG1 3.3Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; S1025-I1029 PolarHBondContact O-N 2.97Å
1026L88.7Confident88.8Confident83 Ų8346.5 Ų46.544%0.43523%0.23SC..Hα-helixtrans-65.4-40.4176.3-69173.7000112.3E1022 A1023 L1024 I1029 E1030E1022-L1026 WeakPolarHBondContact O-CG 3.28Å; E1022-L1026 PolarHBondContact O-N 3.46Å; A1023-L1026 PolarHBondContact O-N 2.99Å; L1024-L1026 PolarHBondContact O-N 3.32Å; L1026-I1029 PolarHBondContact O-N 3.38Å; L1026-E1030 PolarHBondContact O-N 3.27Å
1027Q89Confident88.7Confident59 Ų5945.6 Ų45.628%0.27622%0.224SC..Hα-helixtrans-66.3-41.1174.5-73.5-171.31600112.3L988 F1011 A1023 L1024 I1029 E1030 L1031L988-Q1027 HydrophobicContact CD1-CB 4.22Å; F1011-Q1027 VanDerWaalsContact CZ-CD 3.42Å; F1011-Q1027 VanDerWaalsContact CZ-OE1 3.31Å; A1023-Q1027 PolarHBondContact O-N 3.5Å; A1023-Q1027 VanDerWaalsContact O-N 3.13Å; L1024-Q1027 PolarHBondContact O-N 2.92Å; Q1027-I1029 VanDerWaalsContact C-N 3.32Å; Q1027-I1029 PolarHBondContact O-N 3.37Å; Q1027-E1030 PolarHBondContact O-N 2.9Å; Q1027-L1031 WeakPolarHBondContact O-CG 3.31Å; Q1027-L1031 PolarHBondContact O-N 3Å
1028M90.5Very high88.5Confident24 Ų2444.6 Ų44.612%0.11822%0.219CC..Hα-helixtrans-58.3-43.9174.2-73.7-172-67.400111.5L988 A989 A992 L1024 S1025 E1030 L1031 F1032L988-M1028 HydrophobicContact CB-CG 3.88Å; L988-M1028 HydrophobicContact CB-SD 4.35Å; A989-M1028 WeakPolarHBondContact CA-SD 3.41Å; A989-M1028 HydrophobicContact CB-SD 3.66Å; A989-M1028 PolarHBondContact N-SD 3.14Å; A992-M1028 HydrophobicContact CB-CE 3.97Å; L1024-M1028 VanDerWaalsContact O-CG 3.3Å; L1024-M1028 WeakPolarHBondContact O-CG 3.42Å; L1024-M1028 PolarHBondContact O-N 3.47Å; S1025-M1028 PolarHBondContact O-N 3.45Å; M1028-E1030 VanDerWaalsContact C-N 3.33Å; M1028-E1030 PolarHBondContact O-N 2.8Å; M1028-L1031 PolarHBondContact O-N 3.25Å; M1028-F1032 HydrophobicContact CB-CD2 4.33Å; M1028-F1032 HydrophobicContact CB-CE2 4.14Å; M1028-F1032 WeakPolarHBondContact O-CB 3.39Å; M1028-F1032 WeakPolarHBondContact O-CD2 3.3Å; M1028-F1032 WeakPolarHBondContact O-CG 3.49Å; M1028-F1032 PolarHBondContact O-N 3.42Å
1029I87.7Confident88.2Confident27 Ų2741.7 Ų41.714%0.13821%0.21CC..Hα-helixtrans-59.9-42.8176.9-70.2164.5000111.3S1025 L1026 Q1027 D1033 A1041 K1045 M1049S1025-I1029 VanDerWaalsContact O-CG1 3.3Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; S1025-I1029 PolarHBondContact O-N 2.97Å; L1026-I1029 PolarHBondContact O-N 3.38Å; Q1027-I1029 VanDerWaalsContact C-N 3.32Å; Q1027-I1029 PolarHBondContact O-N 3.37Å; I1029-D1033 WeakPolarHBondContact O-CB 3.46Å; I1029-D1033 PolarHBondContact O-N 3Å; I1029-A1041 HydrophobicContact CG2-CB 4.46Å; I1029-K1045 HydrophobicContact CG2-CD 4.43Å; I1029-M1049 HydrophobicContact CG2-CE 4.27Å
1030E89.1Confident87.8Confident99 Ų9943.2 Ų43.246%0.46321%0.214SC..Hα-helixtrans-64.9-44177.8-173.7-179.2171.400112L1026 Q1027 M1028 D1033 R1034L1026-E1030 PolarHBondContact O-N 3.27Å; Q1027-E1030 PolarHBondContact O-N 2.9Å; M1028-E1030 VanDerWaalsContact C-N 3.33Å; M1028-E1030 PolarHBondContact O-N 2.8Å; E1030-D1033 PolarHBondContact O-N 3.11Å; E1030-R1034 WeakPolarHBondContact O-CG 3.4Å; E1030-R1034 PolarHBondContact O-N 3.38Å; E1030-R1034 IonicContact OE1-CZ 2.66Å; E1030-R1034 IonicContact OE1-NE 2.8Å; E1030-R1034 PolarHBondContact OE1-NE 3.25Å; E1030-R1034 IonicContact OE1-NH2 3.39Å; E1030-R1034 PolarHBondContact OE1-NH2 2.95Å
1031L91.6Very high87.2Confident8 Ų843.3 Ų43.34%0.04221%0.214CC..Hα-helixtrans-66.4-40.2178.7-70.7166.7000112.1Y972 M976 Y981 A984 A985 L988 Q1027 M1028 D1033 R1034 G1035Y972-L1031 HydrophobicContact CE2-CD1 3.71Å; M976-L1031 HydrophobicContact CE-CD2 4.16Å; M976-L1031 HydrophobicContact SD-CD2 3.68Å; Y981-L1031 WeakPolarHBondContact CB-O 3.4Å; Y981-L1031 HydrophobicContact CD1-CD2 4.05Å; A984-L1031 HydrophobicContact CB-CD1 4.42Å; A985-L1031 HydrophobicContact CB-CB 3.74Å; A985-L1031 HydrophobicContact CB-CD1 4.29Å; L988-L1031 HydrophobicContact CD1-CD1 3.78Å; Q1027-L1031 WeakPolarHBondContact O-CG 3.31Å; Q1027-L1031 PolarHBondContact O-N 3Å; M1028-L1031 PolarHBondContact O-N 3.25Å; L1031-D1033 VanDerWaalsContact C-N 3.33Å; L1031-D1033 PolarHBondContact O-N 2.99Å; L1031-R1034 PolarHBondContact O-N 3.24Å; L1031-G1035 PolarHBondContact O-N 2.95Å
1032F90.3Very high86.1Confident12 Ų1245.3 Ų45.35%0.05323%0.225CC..Hα-helixtrans-66-33.9173.3-73.4-49.8000112.6V982 A985 L986 M1028 G1035 E1036 L1037 K1040 A1041V982-F1032 HydrophobicContact CG1-CE1 4.37Å; A985-F1032 HydrophobicContact CB-CD1 3.75Å; A985-F1032 HydrophobicContact CB-CD2 4.09Å; A985-F1032 HydrophobicContact CB-CE1 3.49Å; A985-F1032 VanDerWaalsContact CB-CE1 3.49Å; A985-F1032 HydrophobicContact CB-CE2 3.85Å; A985-F1032 HydrophobicContact CB-CG 4.04Å; A985-F1032 HydrophobicContact CB-CZ 3.53Å; L986-F1032 HydrophobicContact CD2-CE1 4.34Å; L986-F1032 HydrophobicContact CD2-CZ 4.06Å; L986-F1032 HydrophobicContact CG-CE1 4.27Å; L986-F1032 HydrophobicContact CG-CZ 4.33Å; M1028-F1032 HydrophobicContact CB-CD2 4.33Å; M1028-F1032 HydrophobicContact CB-CE2 4.14Å; M1028-F1032 WeakPolarHBondContact O-CB 3.39Å; M1028-F1032 WeakPolarHBondContact O-CD2 3.3Å; M1028-F1032 WeakPolarHBondContact O-CG 3.49Å; M1028-F1032 PolarHBondContact O-N 3.42Å; F1032-G1035 CarbonylContact O-C 3.59Å; F1032-G1035 PolarHBondContact O-N 3.05Å; F1032-E1036 PolarHBondContact O-N 3.12Å; F1032-E1036 VanDerWaalsContact O-N 3.12Å; F1032-L1037 HydrophobicContact CD1-CB 4.27Å; F1032-L1037 HydrophobicContact CD1-CD2 4.22Å; F1032-L1037 HydrophobicContact CE1-CD2 4.22Å; F1032-L1037 PolarHBondContact O-N 3.28Å; F1032-K1040 HydrophobicContact CD1-CB 4.07Å; F1032-K1040 HydrophobicContact CD2-CB 4.04Å; F1032-K1040 HydrophobicContact CE1-CB 3.89Å; F1032-K1040 HydrophobicContact CE1-CG 4.37Å; F1032-K1040 HydrophobicContact CE2-CB 3.86Å; F1032-K1040 HydrophobicContact CG-CB 4.16Å; F1032-K1040 HydrophobicContact CZ-CB 3.8Å; F1032-K1040 HydrophobicContact CZ-CG 4.4Å; F1032-A1041 HydrophobicContact CB-CB 3.78Å; F1032-A1041 HydrophobicContact CD2-CB 4.48Å
1033D87.9Confident84.8Confident37 Ų3742 Ų4220%0.19822%0.218CC..Hα-helixtrans-65.7-44172.9-166.731.4000111I1029 E1030 L1031 G1035 E1036 W1038 K1048 M1049I1029-D1033 WeakPolarHBondContact O-CB 3.46Å; I1029-D1033 PolarHBondContact O-N 3Å; E1030-D1033 PolarHBondContact O-N 3.11Å; L1031-D1033 VanDerWaalsContact C-N 3.33Å; L1031-D1033 PolarHBondContact O-N 2.99Å; D1033-G1035 VanDerWaalsContact C-N 3.34Å; D1033-G1035 PolarHBondContact O-N 3.15Å; D1033-E1036 PolarHBondContact O-N 2.94Å; D1033-W1038 PolarHBondContact OD1-NE1 3.35Å; D1033-K1048 IonicContact OD1-NZ 3.87Å; D1033-K1048 IonicContact OD2-NZ 2.73Å; D1033-K1048 PolarHBondContact OD2-NZ 3.16Å; D1033-M1049 HydrophobicContact CB-CE 4.06Å
1034R88.5Confident83Confident134 Ų13449.6 Ų49.651%0.50625%0.249SC..Hα-helixtrans-66-34.2175.5-69.5-179.6-174.5-153.84.7113.1Y981 E1030 L1031 E1036Y981-R1034 HydrophobicContact CD1-CB 4.44Å; Y981-R1034 HydrophobicContact CD2-CB 3.98Å; Y981-R1034 HydrophobicContact CE2-CB 4.41Å; Y981-R1034 HydrophobicContact CG-CB 3.99Å; E1030-R1034 WeakPolarHBondContact O-CG 3.4Å; E1030-R1034 PolarHBondContact O-N 3.38Å; E1030-R1034 IonicContact OE1-CZ 2.66Å; E1030-R1034 IonicContact OE1-NE 2.8Å; E1030-R1034 PolarHBondContact OE1-NE 3.25Å; E1030-R1034 IonicContact OE1-NH2 3.39Å; E1030-R1034 PolarHBondContact OE1-NH2 2.95Å; L1031-R1034 PolarHBondContact O-N 3.24Å; R1034-E1036 VanDerWaalsContact C-N 3.29Å
1035G86.3Confident81.4Confident27 Ų2755.5 Ų55.528%0.27828%0.275SS..THydrogen-bonded Turntrans-84.54.9175.500000114.8L1031 F1032 D1033 L1037L1031-G1035 PolarHBondContact O-N 2.95Å; F1032-G1035 CarbonylContact O-C 3.59Å; F1032-G1035 PolarHBondContact O-N 3.05Å; D1033-G1035 VanDerWaalsContact C-N 3.34Å; D1033-G1035 PolarHBondContact O-N 3.15Å; G1035-L1037 PolarHBondContact O-N 2.76Å; G1035-L1037 VanDerWaalsContact O-N 3.1Å
1036E84.8Confident80.2Confident88 Ų8857.5 Ų57.541%0.41128%0.282SS..THydrogen-bonded Turntrans56.222.5-179.4-54.5-176.3169.800115.2F1032 D1033 R1034 W1038 R1058F1032-E1036 PolarHBondContact O-N 3.12Å; F1032-E1036 VanDerWaalsContact O-N 3.12Å; D1033-E1036 PolarHBondContact O-N 2.94Å; R1034-E1036 VanDerWaalsContact C-N 3.29Å; E1036-W1038 HydrophobicContact CB-CH2 4.44Å; E1036-W1038 HydrophobicContact CB-CZ2 4.16Å; E1036-W1038 HydrophobicContact CG-CZ2 4.25Å; E1036-W1038 PolarHBondContact O-N 2.82Å; E1036-R1058 WeakPolarHBondContact O-CD 3.37Å
1037L85.9Confident79.2Confident5 Ų557 Ų573%0.02629%0.285CS..  trans-102.560.1179.1-160.480.1000111.4V982 F1032 G1035 E1039 K1040 Y1155 P1207V982-L1037 HydrophobicContact CG1-CD2 3.63Å; V982-L1037 HydrophobicContact CG2-CB 3.84Å; V982-L1037 HydrophobicContact CG2-CD2 4.4Å; F1032-L1037 HydrophobicContact CD1-CB 4.27Å; F1032-L1037 HydrophobicContact CD1-CD2 4.22Å; F1032-L1037 HydrophobicContact CE1-CD2 4.22Å; F1032-L1037 PolarHBondContact O-N 3.28Å; G1035-L1037 PolarHBondContact O-N 2.76Å; G1035-L1037 VanDerWaalsContact O-N 3.1Å; L1037-E1039 VanDerWaalsContact C-N 3.26Å; L1037-E1039 PolarHBondContact O-N 3.42Å; L1037-K1040 HydrophobicContact CD2-CB 4.28Å; L1037-K1040 HydrophobicContact CD2-CG 3.78Å; L1037-K1040 HydrophobicContact CG-CG 4.48Å; L1037-K1040 PolarHBondContact O-N 3.02Å; L1037-Y1155 HydrophobicContact CD1-CD2 4.29Å; L1037-Y1155 HydrophobicContact CD1-CE2 3.73Å; L1037-Y1155 HydrophobicContact CG-CE2 4.19Å; L1037-P1207 HydrophobicContact CD2-CG 3.95Å
1038W83.9Confident78.6Confident5 Ų559 Ų592%0.01929%0.293CS..G310 helixtrans-63.4-24.3-170.8-57.5-51.7000114.9D1033 E1036 K1040 A1041 I1042 M1049 N1052 I1053 H1056 R1058D1033-W1038 PolarHBondContact OD1-NE1 3.35Å; E1036-W1038 HydrophobicContact CB-CH2 4.44Å; E1036-W1038 HydrophobicContact CB-CZ2 4.16Å; E1036-W1038 HydrophobicContact CG-CZ2 4.25Å; E1036-W1038 PolarHBondContact O-N 2.82Å; W1038-K1040 VanDerWaalsContact C-N 3.29Å; W1038-K1040 PolarHBondContact O-N 3.4Å; W1038-A1041 CarbonylContact O-C 3.58Å; W1038-A1041 WeakPolarHBondContact O-CA 3.48Å; W1038-A1041 WeakPolarHBondContact O-CB 3.5Å; W1038-A1041 PolarHBondContact O-N 2.7Å; W1038-I1042 WeakPolarHBondContact O-CG1 3.45Å; W1038-I1042 PolarHBondContact O-N 2.82Å; W1038-M1049 HydrophobicContact CB-CB 4.36Å; W1038-M1049 HydrophobicContact CB-SD 4.41Å; W1038-M1049 VanDerWaalsContact CD1-SD 3.55Å; W1038-M1049 HydrophobicContact CG-SD 4.19Å; W1038-N1052 HydrophobicContact CD2-CB 3.52Å; W1038-N1052 VanDerWaalsContact CE3-C 3.47Å; W1038-N1052 HydrophobicContact CE3-CB 3.62Å; W1038-N1052 HydrophobicContact CG-CB 4.21Å; W1038-N1052 HydrophobicContact CH2-CB 3.84Å; W1038-N1052 HydrophobicContact CZ2-CB 3.7Å; W1038-N1052 HydrophobicContact CZ3-CB 3.76Å; W1038-N1052 VanDerWaalsContact CZ3-O 3.22Å; W1038-N1052 WeakPolarHBondContact CZ3-O 3.42Å; W1038-I1053 HydrophobicContact CB-CD1 3.96Å; W1038-I1053 HydrophobicContact CB-CG1 3.65Å; W1038-I1053 HydrophobicContact CD2-CG1 4.44Å; W1038-I1053 HydrophobicContact CE3-CB 4.43Å; W1038-I1053 HydrophobicContact CE3-CG1 3.87Å; W1038-I1053 HydrophobicContact CG-CG1 4.41Å; W1038-H1056 HydrophobicContact CH2-CB 3.34Å; W1038-H1056 AromaticContact CH2-CG 3.88Å; W1038-H1056 HydrophobicContact CZ2-CB 4.39Å; W1038-H1056 HydrophobicContact CZ3-CB 3.77Å; W1038-R1058 HydrophobicContact CH2-CG 4.13Å; W1038-R1058 VanDerWaalsContact CZ3-CD 3.5Å; W1038-R1058 HydrophobicContact CZ3-CG 3.94Å
1039E82.8Confident78Confident30 Ų3058 Ų5814%0.1429%0.288CS..G310 helixtrans-62.9-33.7179.7-67.681.2179.300112.7L1037 A1041 I1042 I1053 R1058 Y1155L1037-E1039 VanDerWaalsContact C-N 3.26Å; L1037-E1039 PolarHBondContact O-N 3.42Å; E1039-A1041 VanDerWaalsContact C-N 3.32Å; E1039-I1042 WeakPolarHBondContact O-CG1 3.38Å; E1039-I1053 HydrophobicContact CG-CD1 4.26Å; E1039-R1058 VanDerWaalsContact CD-NH1 3.25Å; E1039-R1058 IonicContact OE1-CZ 2.7Å; E1039-R1058 VanDerWaalsContact OE1-CZ 3.26Å; E1039-R1058 IonicContact OE1-NH1 3.92Å; E1039-R1058 PolarHBondContact OE1-NH1 3.41Å; E1039-R1058 IonicContact OE1-NH2 3.26Å; E1039-R1058 PolarHBondContact OE1-NH2 3.47Å; E1039-R1058 IonicContact OE2-CZ 3.74Å; E1039-R1058 IonicContact OE2-NH1 2.98Å; E1039-R1058 PolarHBondContact OE2-NH1 3.15Å; E1039-Y1155 HydrophobicContact CB-CD1 4.17Å; E1039-Y1155 HydrophobicContact CB-CD2 3.88Å; E1039-Y1155 HydrophobicContact CB-CE1 3.83Å; E1039-Y1155 HydrophobicContact CB-CE2 3.49Å; E1039-Y1155 VanDerWaalsContact CB-CE2 3.49Å; E1039-Y1155 HydrophobicContact CB-CG 4.19Å; E1039-Y1155 VanDerWaalsContact CB-CZ 3.46Å; E1039-Y1155 HydrophobicContact CG-CD1 3.83Å; E1039-Y1155 HydrophobicContact CG-CD2 3.57Å; E1039-Y1155 HydrophobicContact CG-CE1 4.04Å; E1039-Y1155 HydrophobicContact CG-CE2 3.77Å; E1039-Y1155 HydrophobicContact CG-CG 3.59Å; E1039-Y1155 VanDerWaalsContact OE2-CD2 3.23Å; E1039-Y1155 WeakPolarHBondContact OE2-CD2 3.22Å
1040K80.2Confident77.3Confident92 Ų9262 Ų6240%0.430%0.302SS..G310 helixtrans-78.8-16.4172.4-70.6-64.3-164.6-167.40112.8F1032 L1037 W1038 E1160F1032-K1040 HydrophobicContact CD1-CB 4.07Å; F1032-K1040 HydrophobicContact CD2-CB 4.04Å; F1032-K1040 HydrophobicContact CE1-CB 3.89Å; F1032-K1040 HydrophobicContact CE1-CG 4.37Å; F1032-K1040 HydrophobicContact CE2-CB 3.86Å; F1032-K1040 HydrophobicContact CG-CB 4.16Å; F1032-K1040 HydrophobicContact CZ-CB 3.8Å; F1032-K1040 HydrophobicContact CZ-CG 4.4Å; L1037-K1040 HydrophobicContact CD2-CB 4.28Å; L1037-K1040 HydrophobicContact CD2-CG 3.78Å; L1037-K1040 HydrophobicContact CG-CG 4.48Å; L1037-K1040 PolarHBondContact O-N 3.02Å; W1038-K1040 VanDerWaalsContact C-N 3.29Å; W1038-K1040 PolarHBondContact O-N 3.4Å; K1040-E1160 WeakPolarHBondContact CE-OE1 3.32Å; K1040-E1160 IonicContact NZ-OE1 3.67Å; K1040-E1160 PolarHBondContact NZ-OE1 3.42Å
1041A76.8Confident76.7Confident2 Ų263.7 Ų63.72%0.01730%0.304CS..G310 helixtrans-91.81.917900000113.8I1029 F1032 W1038 E1039 G1043 M1049I1029-A1041 HydrophobicContact CG2-CB 4.46Å; F1032-A1041 HydrophobicContact CB-CB 3.78Å; F1032-A1041 HydrophobicContact CD2-CB 4.48Å; W1038-A1041 CarbonylContact O-C 3.58Å; W1038-A1041 WeakPolarHBondContact O-CA 3.48Å; W1038-A1041 WeakPolarHBondContact O-CB 3.5Å; W1038-A1041 PolarHBondContact O-N 2.7Å; E1039-A1041 VanDerWaalsContact C-N 3.32Å; A1041-G1043 VanDerWaalsContact C-N 3.28Å; A1041-G1043 PolarHBondContact O-N 2.79Å; A1041-M1049 HydrophobicContact CB-CG 4.49Å; A1041-M1049 HydrophobicContact CB-SD 4.47Å
1042I67.7Low76.2Confident67 Ų6764.6 Ų64.634%0.34431%0.309SS..  trans-67.686.6-178.8-61-178000109.3W1038 E1039 M1046 Y1050 I1053W1038-I1042 WeakPolarHBondContact O-CG1 3.45Å; W1038-I1042 PolarHBondContact O-N 2.82Å; E1039-I1042 WeakPolarHBondContact O-CG1 3.38Å; I1042-M1046 HydrophobicContact CB-SD 4.36Å; I1042-M1046 HydrophobicContact CG2-CE 3.51Å; I1042-M1046 HydrophobicContact CG2-SD 3.3Å; I1042-M1046 WeakPolarHBondContact CG2-SD 3.39Å; I1042-Y1050 HydrophobicContact CD1-CE1 4.26Å; I1042-I1053 HydrophobicContact CD1-CD1 4.04Å; I1042-I1053 HydrophobicContact CG1-CD1 4.48Å
1043G62.2Low75.7Confident29 Ų2964.3 Ų64.330%0.29931%0.308SS..SBendtrans-138.7-151.5169.600000109.5A1041 K1045 M1046A1041-G1043 VanDerWaalsContact C-N 3.28Å; A1041-G1043 PolarHBondContact O-N 2.79Å; G1043-K1045 PolarHBondContact O-N 2.7Å; G1043-M1046 WeakPolarHBondContact O-CG 3.22Å; G1043-M1046 PolarHBondContact O-N 2.85Å
1044E50.2Low75.1Confident182 Ų18266.6 Ų66.685%0.8532%0.32SS*.THydrogen-bonded Turntrans-47.1-26.9-169.8-65.4-168.5152.600116.9M1046E1044-M1046 PolarHBondContact O-N 2.96Å; E1044-M1046 VanDerWaalsContact O-N 3.16Å
1045K56.4Low74.4Confident124 Ų12468.2 Ų68.254%0.53933%0.331SS..THydrogen-bonded Turntrans-83.830.8175.3-68.8-177.6178.91710114.4I1029 G1043 S1047 K1048I1029-K1045 HydrophobicContact CG2-CD 4.43Å; G1043-K1045 PolarHBondContact O-N 2.7Å; K1045-S1047 VanDerWaalsContact C-N 3.29Å; K1045-S1047 PolarHBondContact O-N 3.44Å; K1045-K1048 PolarHBondContact O-N 3.24Å
1046M63Low73.8Confident74 Ų7471.6 Ų71.637%0.36534%0.339SS..Hα-helixtrans-42.1-48.8-173.6-66.9-59.8-105.700114I1042 G1043 E1044 K1048 M1049 Y1050I1042-M1046 HydrophobicContact CB-SD 4.36Å; I1042-M1046 HydrophobicContact CG2-CE 3.51Å; I1042-M1046 HydrophobicContact CG2-SD 3.3Å; I1042-M1046 WeakPolarHBondContact CG2-SD 3.39Å; G1043-M1046 WeakPolarHBondContact O-CG 3.22Å; G1043-M1046 PolarHBondContact O-N 2.85Å; E1044-M1046 PolarHBondContact O-N 2.96Å; E1044-M1046 VanDerWaalsContact O-N 3.16Å; M1046-K1048 PolarHBondContact O-N 3.35Å; M1046-M1049 PolarHBondContact O-N 3.48Å; M1046-Y1050 HydrophobicContact CB-CD2 4.11Å; M1046-Y1050 HydrophobicContact CB-CE2 3.96Å; M1046-Y1050 HydrophobicContact CE-CE2 3.68Å; M1046-Y1050 VanDerWaalsContact CE-OH 3.31Å; M1046-Y1050 WeakPolarHBondContact CE-OH 3.5Å; M1046-Y1050 HydrophobicContact CG-CE2 4.44Å; M1046-Y1050 WeakPolarHBondContact O-CD2 3.11Å; M1046-Y1050 PolarHBondContact O-N 3.32Å; M1046-Y1050 HydrophobicContact SD-CE2 4Å
1047S67.8Low73.2Confident73 Ų7374.2 Ų74.251%0.5135%0.351SS..Hα-helixtrans-68.8-34.5-169.384.30000114.2K1045 R1051K1045-S1047 VanDerWaalsContact C-N 3.29Å; K1045-S1047 PolarHBondContact O-N 3.44Å; S1047-R1051 WeakPolarHBondContact O-CG 3.38Å; S1047-R1051 PolarHBondContact O-N 3.03Å; S1047-R1051 PolarHBondContact O-NH1 3.22Å; S1047-R1051 PolarHBondContact OG-NH1 3.36Å
1048K77.8Confident72.9Confident100 Ų10074.4 Ų74.444%0.43535%0.352SS..Hα-helixtrans-70.9-46.7177.3-176.3-171.1174.6-160.90109.7D1033 K1045 M1046 R1051 N1052D1033-K1048 IonicContact OD1-NZ 3.87Å; D1033-K1048 IonicContact OD2-NZ 2.73Å; D1033-K1048 PolarHBondContact OD2-NZ 3.16Å; K1045-K1048 PolarHBondContact O-N 3.24Å; M1046-K1048 PolarHBondContact O-N 3.35Å; K1048-R1051 PolarHBondContact O-N 3.45Å; K1048-N1052 PolarHBondContact O-N 3.16Å
1049M77Confident72.4Confident3 Ų375 Ų752%0.01536%0.357CS..Hα-helixtrans-64.4-43.8-176.6-58.4-51.8159.300111.7I1029 D1033 W1038 A1041 M1046 R1051 N1052 I1053I1029-M1049 HydrophobicContact CG2-CE 4.27Å; D1033-M1049 HydrophobicContact CB-CE 4.06Å; W1038-M1049 HydrophobicContact CB-CB 4.36Å; W1038-M1049 HydrophobicContact CB-SD 4.41Å; W1038-M1049 VanDerWaalsContact CD1-SD 3.55Å; W1038-M1049 HydrophobicContact CG-SD 4.19Å; A1041-M1049 HydrophobicContact CB-CG 4.49Å; A1041-M1049 HydrophobicContact CB-SD 4.47Å; M1046-M1049 PolarHBondContact O-N 3.48Å; M1049-R1051 PolarHBondContact O-N 3.37Å; M1049-N1052 PolarHBondContact O-N 2.92Å; M1049-I1053 VanDerWaalsContact O-CG1 3.31Å; M1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; M1049-I1053 PolarHBondContact O-N 2.66Å
1050Y74.1Confident72Confident110 Ų11078.1 Ų78.143%0.43137%0.372SS..Hα-helixtrans-60.9-40.8173.9-77-58.4000113.1I1042 M1046 N1052 I1053 L1054I1042-Y1050 HydrophobicContact CD1-CE1 4.26Å; M1046-Y1050 HydrophobicContact CB-CD2 4.11Å; M1046-Y1050 HydrophobicContact CB-CE2 3.96Å; M1046-Y1050 HydrophobicContact CE-CE2 3.68Å; M1046-Y1050 VanDerWaalsContact CE-OH 3.31Å; M1046-Y1050 WeakPolarHBondContact CE-OH 3.5Å; M1046-Y1050 HydrophobicContact CG-CE2 4.44Å; M1046-Y1050 WeakPolarHBondContact O-CD2 3.11Å; M1046-Y1050 PolarHBondContact O-N 3.32Å; M1046-Y1050 HydrophobicContact SD-CE2 4Å; Y1050-N1052 VanDerWaalsContact C-N 3.32Å; Y1050-N1052 PolarHBondContact O-N 3.08Å; Y1050-I1053 PolarHBondContact O-N 2.81Å; Y1050-L1054 VanDerWaalsContact O-CG 3.3Å; Y1050-L1054 WeakPolarHBondContact O-CG 3.3Å; Y1050-L1054 PolarHBondContact O-N 2.95Å
1051R75.8Confident72.1Confident136 Ų13674.4 Ų74.451%0.51336%0.357SS..Hα-helixtrans-64.5-38.7176.5-73.5-177.5-160.798.3-7.8111.6S1047 K1048 M1049 K1055S1047-R1051 WeakPolarHBondContact O-CG 3.38Å; S1047-R1051 PolarHBondContact O-N 3.03Å; S1047-R1051 PolarHBondContact O-NH1 3.22Å; S1047-R1051 PolarHBondContact OG-NH1 3.36Å; K1048-R1051 PolarHBondContact O-N 3.45Å; M1049-R1051 PolarHBondContact O-N 3.37Å; R1051-K1055 VanDerWaalsContact O-CB 3.25Å; R1051-K1055 WeakPolarHBondContact O-CB 3.21Å; R1051-K1055 WeakPolarHBondContact O-CG 3.5Å; R1051-K1055 PolarHBondContact O-N 3.29Å
1052N80.2Confident72.8Confident27 Ų2775.9 Ų75.914%0.14436%0.364CS..Hα-helixtrans-66-48177.5-76.3-3.6000111.1W1038 K1048 M1049 Y1050 L1054 K1055 H1056W1038-N1052 HydrophobicContact CD2-CB 3.52Å; W1038-N1052 VanDerWaalsContact CE3-C 3.47Å; W1038-N1052 HydrophobicContact CE3-CB 3.62Å; W1038-N1052 HydrophobicContact CG-CB 4.21Å; W1038-N1052 HydrophobicContact CH2-CB 3.84Å; W1038-N1052 HydrophobicContact CZ2-CB 3.7Å; W1038-N1052 HydrophobicContact CZ3-CB 3.76Å; W1038-N1052 VanDerWaalsContact CZ3-O 3.22Å; W1038-N1052 WeakPolarHBondContact CZ3-O 3.42Å; K1048-N1052 PolarHBondContact O-N 3.16Å; M1049-N1052 PolarHBondContact O-N 2.92Å; Y1050-N1052 VanDerWaalsContact C-N 3.32Å; Y1050-N1052 PolarHBondContact O-N 3.08Å; N1052-L1054 PolarHBondContact O-N 3.37Å; N1052-K1055 PolarHBondContact O-N 3.08Å; N1052-H1056 WeakPolarHBondContact O-CB 3.45Å; N1052-H1056 PolarHBondContact O-N 3.34Å
1053I79.5Confident74.2Confident6 Ų672.8 Ų72.83%0.03135%0.348CS..Hα-helixtrans-53.6-41.9177.1-68165.7000111.7W1038 E1039 I1042 M1049 Y1050 H1151 I1152W1038-I1053 HydrophobicContact CB-CD1 3.96Å; W1038-I1053 HydrophobicContact CB-CG1 3.65Å; W1038-I1053 HydrophobicContact CD2-CG1 4.44Å; W1038-I1053 HydrophobicContact CE3-CB 4.43Å; W1038-I1053 HydrophobicContact CE3-CG1 3.87Å; W1038-I1053 HydrophobicContact CG-CG1 4.41Å; E1039-I1053 HydrophobicContact CG-CD1 4.26Å; I1042-I1053 HydrophobicContact CD1-CD1 4.04Å; I1042-I1053 HydrophobicContact CG1-CD1 4.48Å; M1049-I1053 VanDerWaalsContact O-CG1 3.31Å; M1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; M1049-I1053 PolarHBondContact O-N 2.66Å; Y1050-I1053 PolarHBondContact O-N 2.81Å; I1053-H1151 WeakPolarHBondContact O-CB 3.49Å; I1053-I1152 HydrophobicContact CG2-CG1 4.22Å
1054L75.5Confident75.8Confident85 Ų8571.4 Ų71.445%0.44533%0.333SS..Hα-helixtrans-84.7-24.2-174.8-64.1174.1000114.4Y1050 N1052 D1149 H1151Y1050-L1054 VanDerWaalsContact O-CG 3.3Å; Y1050-L1054 WeakPolarHBondContact O-CG 3.3Å; Y1050-L1054 PolarHBondContact O-N 2.95Å; N1052-L1054 PolarHBondContact O-N 3.37Å; L1054-D1149 WeakPolarHBondContact CD2-OD2 3.4Å; L1054-H1151 PolarHBondContact O-CE1 3.35Å; L1054-H1151 PolarHBondContact O-ND1 3.15Å
1055K74.6Confident78.1Confident168 Ų16863.3 Ų63.373%0.7330%0.295SS*.Hα-helixtrans-116-24.9-170.1-62.5-173.2176.8-171.70115.1R1051 N1052R1051-K1055 VanDerWaalsContact O-CB 3.25Å; R1051-K1055 WeakPolarHBondContact O-CB 3.21Å; R1051-K1055 WeakPolarHBondContact O-CG 3.5Å; R1051-K1055 PolarHBondContact O-N 3.29Å; N1052-K1055 PolarHBondContact O-N 3.08Å
1056H74.3Confident79.9Confident97 Ų9757.4 Ų57.445%0.44927%0.269SS..SBendtrans-89.3131.5-178.5-96.676.6000111.6W1038 N1052 R1058W1038-H1056 HydrophobicContact CH2-CB 3.34Å; W1038-H1056 AromaticContact CH2-CG 3.88Å; W1038-H1056 HydrophobicContact CZ2-CB 4.39Å; W1038-H1056 HydrophobicContact CZ3-CB 3.77Å; N1052-H1056 WeakPolarHBondContact O-CB 3.45Å; N1052-H1056 PolarHBondContact O-N 3.34Å; H1056-R1058 PolarHBondContact O-N 3.36Å
1057Q71.5Confident81.5Confident143 Ų14353.9 Ų53.967%0.66825%0.252SS*.  trans-74.6121.5170.5-178.163.25200109.4
1058R78.8Confident82.7Confident10 Ų1050.4 Ų50.44%0.03823%0.228CC..  trans-104.7153.6177.1-68.2-179.9-79.9-179.81.7111E1036 W1038 E1039 H1056 W1154E1036-R1058 WeakPolarHBondContact O-CD 3.37Å; W1038-R1058 HydrophobicContact CH2-CG 4.13Å; W1038-R1058 VanDerWaalsContact CZ3-CD 3.5Å; W1038-R1058 HydrophobicContact CZ3-CG 3.94Å; E1039-R1058 VanDerWaalsContact CD-NH1 3.25Å; E1039-R1058 IonicContact OE1-CZ 2.7Å; E1039-R1058 VanDerWaalsContact OE1-CZ 3.26Å; E1039-R1058 IonicContact OE1-NH1 3.92Å; E1039-R1058 PolarHBondContact OE1-NH1 3.41Å; E1039-R1058 IonicContact OE1-NH2 3.26Å; E1039-R1058 PolarHBondContact OE1-NH2 3.47Å; E1039-R1058 IonicContact OE2-CZ 3.74Å; E1039-R1058 IonicContact OE2-NH1 2.98Å; E1039-R1058 PolarHBondContact OE2-NH1 3.15Å; H1056-R1058 PolarHBondContact O-N 3.36Å; R1058-W1154 HydrophobicContact CB-CH2 3.76Å; R1058-W1154 HydrophobicContact CB-CZ2 4.24Å; R1058-W1154 HydrophobicContact CB-CZ3 4.15Å; R1058-W1154 VanDerWaalsContact CZ-CZ3 3.41Å
1059A73.8Confident83.5Confident16 Ų1646.2 Ų46.213%0.13221%0.209CC..  trans-84.1129.3178.600000109.8P1061 G1088 Y1089 W1154A1059-P1061 VanDerWaalsContact O-CD 3.25Å; A1059-P1061 WeakPolarHBondContact O-CD 3.46Å; A1059-G1088 WeakPolarHBondContact CB-O 3.48Å; A1059-Y1089 HydrophobicContact CB-CD1 4Å; A1059-Y1089 HydrophobicContact CB-CD2 3.77Å; A1059-Y1089 HydrophobicContact CB-CE1 3.63Å; A1059-Y1089 HydrophobicContact CB-CE2 3.38Å; A1059-Y1089 HydrophobicContact CB-CG 4.07Å; A1059-W1154 WeakPolarHBondContact O-CZ2 3.42Å
1060E74.8Confident84.2Confident97 Ų9746 Ų4645%0.45321%0.209SC..  trans-77.5113.4178.8-47.3-161150.100110.2E1062 W1154E1060-E1062 PolarHBondContact O-N 2.95Å; E1060-W1154 VanDerWaalsContact CG-NE1 3.28Å; E1060-W1154 VanDerWaalsContact OE1-CD1 3.25Å
1061P82.7Confident84.9Confident14 Ų1444.9 Ų44.99%0.09121%0.21CC..  trans-68.8133.9178.129-33.7000110.1A1059 R1085 C1158A1059-P1061 VanDerWaalsContact O-CD 3.25Å; A1059-P1061 WeakPolarHBondContact O-CD 3.46Å; P1061-R1085 HydrophobicContact CB-CG 4.38Å; P1061-C1158 HydrophobicContact CG-CB 4.39Å
1062E91.9Very high85.3Confident33 Ų3339.9 Ų39.915%0.15420%0.2CC..  trans-92.8148169.8-66.9-166.7151.800110.5E1060 F1064 G1086 R1091 K1131E1060-E1062 PolarHBondContact O-N 2.95Å; E1062-F1064 HydrophobicContact CB-CE1 4.12Å; E1062-F1064 HydrophobicContact CB-CE2 4.02Å; E1062-F1064 HydrophobicContact CB-CZ 3.56Å; E1062-G1086 WeakPolarHBondContact O-CA 3.45Å; E1062-G1086 PolarHBondContact O-N 2.83Å; E1062-R1091 WeakPolarHBondContact OE2-CD 3.35Å; E1062-K1131 WeakPolarHBondContact OE1-CE 3.15Å; E1062-K1131 IonicContact OE1-NZ 3.93Å; E1062-K1131 PolarHBondContact OE1-NZ 3.4Å
1063Y95.8Very high85.6Confident2 Ų238.8 Ų38.81%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-105.9142.5176.3-69.4-89.6000110.5V1083 Y1084 R1085 K1131 V1132 P1134 C1158 V1161 F1164 F1206Y1063-V1083 HydrophobicContact CD1-CG1 4.17Å; Y1063-Y1084 CarbonylContact C-O 3.47Å; Y1063-Y1084 VanDerWaalsContact CA-O 3.27Å; Y1063-Y1084 WeakPolarHBondContact CA-O 3.04Å; Y1063-R1085 HydrophobicContact CD1-CB 4.18Å; Y1063-R1085 HydrophobicContact CD1-CG 4.49Å; Y1063-R1085 HydrophobicContact CE1-CB 3.78Å; Y1063-R1085 HydrophobicContact CE1-CG 3.83Å; Y1063-K1131 WeakPolarHBondContact O-CA 3.4Å; Y1063-V1132 PolarHBondContact O-N 3.19Å; Y1063-P1134 HydrophobicContact CD2-CG 4.47Å; Y1063-C1158 WeakPolarHBondContact CE2-O 3.43Å; Y1063-C1158 PolarHBondContact OH-O 3.39Å; Y1063-V1161 HydrophobicContact CE2-CG2 4.24Å; Y1063-F1164 HydrophobicContact CD1-CD1 4.33Å; Y1063-F1164 AromaticContact CD1-CE1 3.42Å; Y1063-F1164 HydrophobicContact CD1-CE1 3.42Å; Y1063-F1164 VanDerWaalsContact CD1-CE1 3.42Å; Y1063-F1164 AromaticContact CD1-CZ 3.76Å; Y1063-F1164 HydrophobicContact CD1-CZ 3.76Å; Y1063-F1164 HydrophobicContact CD2-CD1 4.44Å; Y1063-F1164 AromaticContact CD2-CE1 3.78Å; Y1063-F1164 HydrophobicContact CD2-CE1 3.78Å; Y1063-F1164 AromaticContact CE1-CE1 3.81Å; Y1063-F1164 HydrophobicContact CE1-CE1 3.81Å; Y1063-F1164 AromaticContact CE1-CZ 3.88Å; Y1063-F1164 HydrophobicContact CE1-CZ 3.88Å; Y1063-F1164 HydrophobicContact CE2-CE1 4.15Å; Y1063-F1164 HydrophobicContact CG-CD1 4.01Å; Y1063-F1164 AromaticContact CG-CE1 3.4Å; Y1063-F1164 HydrophobicContact CG-CE1 3.4Å; Y1063-F1164 HydrophobicContact CG-CZ 4.22Å; Y1063-F1206 HydrophobicContact CE1-CB 3.7Å; Y1063-F1206 HydrophobicContact CE1-CD1 4.07Å; Y1063-F1206 HydrophobicContact CE1-CD2 4.12Å; Y1063-F1206 AromaticContact CE1-CG 3.7Å; Y1063-F1206 HydrophobicContact CE1-CG 3.7Å
1064F97.5Very high85.5Confident0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-130.2129.3-175.5-55.1-71.8000111E1062 V1083 Y1084 L1092 F1095 N1130 K1131E1062-F1064 HydrophobicContact CB-CE1 4.12Å; E1062-F1064 HydrophobicContact CB-CE2 4.02Å; E1062-F1064 HydrophobicContact CB-CZ 3.56Å; F1064-V1083 CarbonylContact O-C 3.53Å; F1064-V1083 WeakPolarHBondContact O-CA 3.45Å; F1064-Y1084 PolarHBondContact N-O 2.64Å; F1064-Y1084 PolarHBondContact O-N 3.26Å; F1064-L1092 HydrophobicContact CD1-CB 4.49Å; F1064-L1092 HydrophobicContact CD1-CD1 3.79Å; F1064-L1092 VanDerWaalsContact CE1-CA 3.49Å; F1064-L1092 HydrophobicContact CE1-CB 3.88Å; F1064-L1092 HydrophobicContact CE1-CD1 4.05Å; F1064-F1095 HydrophobicContact CB-CD1 3.66Å; F1064-F1095 HydrophobicContact CB-CD2 4.46Å; F1064-F1095 HydrophobicContact CB-CE1 3.38Å; F1064-F1095 HydrophobicContact CB-CE2 4.23Å; F1064-F1095 HydrophobicContact CB-CG 4.21Å; F1064-F1095 HydrophobicContact CB-CZ 3.71Å; F1064-F1095 HydrophobicContact CD1-CD1 4.12Å; F1064-F1095 HydrophobicContact CD1-CG 4.3Å; F1064-F1095 HydrophobicContact CD2-CB 3.96Å; F1064-F1095 AromaticContact CD2-CD1 3.74Å; F1064-F1095 HydrophobicContact CD2-CD1 3.74Å; F1064-F1095 AromaticContact CD2-CD2 3.32Å; F1064-F1095 HydrophobicContact CD2-CD2 3.32Å; F1064-F1095 HydrophobicContact CD2-CE1 4.07Å; F1064-F1095 AromaticContact CD2-CE2 3.7Å; F1064-F1095 HydrophobicContact CD2-CE2 3.7Å; F1064-F1095 AromaticContact CD2-CG 3.36Å; F1064-F1095 HydrophobicContact CD2-CG 3.36Å; F1064-F1095 HydrophobicContact CD2-CZ 4.07Å; F1064-F1095 HydrophobicContact CE1-CB 4.4Å; F1064-F1095 HydrophobicContact CE2-CB 3.76Å; F1064-F1095 HydrophobicContact CE2-CD1 4.4Å; F1064-F1095 AromaticContact CE2-CD2 3.73Å; F1064-F1095 HydrophobicContact CE2-CD2 3.73Å; F1064-F1095 HydrophobicContact CE2-CE2 4.5Å; F1064-F1095 AromaticContact CE2-CG 3.7Å; F1064-F1095 HydrophobicContact CE2-CG 3.7Å; F1064-F1095 HydrophobicContact CG-CB 4.33Å; F1064-F1095 AromaticContact CG-CD1 3.55Å; F1064-F1095 HydrophobicContact CG-CD1 3.55Å; F1064-F1095 HydrophobicContact CG-CD2 4.04Å; F1064-F1095 AromaticContact CG-CE1 3.82Å; F1064-F1095 HydrophobicContact CG-CE1 3.82Å; F1064-F1095 HydrophobicContact CG-CE2 4.28Å; F1064-F1095 AromaticContact CG-CG 3.69Å; F1064-F1095 HydrophobicContact CG-CG 3.69Å; F1064-F1095 HydrophobicContact CG-CZ 4.19Å; F1064-F1095 HydrophobicContact CZ-CB 4Å; F1064-F1095 HydrophobicContact CZ-CG 4.32Å; F1064-N1130 CarbonylContact C-O 3.59Å; F1064-N1130 WeakPolarHBondContact CA-O 3.27Å; F1064-K1131 HydrophobicContact CD1-CB 4.25Å; F1064-K1131 HydrophobicContact CE1-CB 4.28Å; F1064-K1131 HydrophobicContact CE1-CG 4.46Å
1065R96.8Very high85.5Confident12 Ų1240.7 Ų40.75%0.04521%0.214CC..EExtended strand (participates in β ladder)trans-83.6132.5168.5171.5-179.6176.1-101.83.6108.8T1081 F1082 I1129 N1130 V1132 F1166 L1200R1065-T1081 HydrophobicContact CG-CG2 3.73Å; R1065-F1082 CarbonylContact C-O 3.55Å; R1065-F1082 WeakPolarHBondContact CA-O 3.31Å; R1065-I1129 WeakPolarHBondContact O-CA 3.36Å; R1065-N1130 WeakPolarHBondContact CD-OD1 3.4Å; R1065-N1130 PolarHBondContact N-O 2.98Å; R1065-N1130 PolarHBondContact NH1-OD1 2.84Å; R1065-N1130 PolarHBondContact O-N 3.39Å; R1065-V1132 HydrophobicContact CB-CG1 3.56Å; R1065-F1166 VanDerWaalsContact CD-CE1 3.41Å; R1065-L1200 HydrophobicContact CB-CD1 4.23Å; R1065-L1200 HydrophobicContact CG-CD1 4.18Å
1066V95.8Very high85.7Confident0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-127.5115174.5-175.70000108.7F1068 T1081 F1082 Y1084 F1095 I1099 L1127 Q1128 I1129V1066-F1068 HydrophobicContact CB-CE2 4.18Å; V1066-F1068 HydrophobicContact CB-CZ 4.5Å; V1066-F1068 HydrophobicContact CG1-CD2 4.12Å; V1066-F1068 HydrophobicContact CG1-CE1 4.12Å; V1066-F1068 HydrophobicContact CG1-CE2 3.57Å; V1066-F1068 HydrophobicContact CG1-CZ 3.57Å; V1066-T1081 WeakPolarHBondContact O-CA 3.01Å; V1066-F1082 PolarHBondContact N-O 3.02Å; V1066-F1082 PolarHBondContact O-N 3.24Å; V1066-Y1084 HydrophobicContact CB-CD2 3.98Å; V1066-Y1084 HydrophobicContact CB-CE2 3.7Å; V1066-Y1084 HydrophobicContact CG1-CE2 4.4Å; V1066-Y1084 HydrophobicContact CG2-CD2 3.51Å; V1066-Y1084 HydrophobicContact CG2-CE2 3.61Å; V1066-Y1084 HydrophobicContact CG2-CG 4.33Å; V1066-F1095 HydrophobicContact CG2-CE1 3.62Å; V1066-F1095 HydrophobicContact CG2-CZ 3.83Å; V1066-I1099 HydrophobicContact CG1-CG2 4.3Å; V1066-L1127 HydrophobicContact CG1-CD2 4.11Å; V1066-Q1128 WeakPolarHBondContact CA-O 3.03Å; V1066-I1129 HydrophobicContact CG1-CG1 4.27Å; V1066-I1129 HydrophobicContact CG2-CG1 4.35Å; V1066-I1129 HydrophobicContact CG2-CG2 4.35Å
1067G95Very high86.1Confident0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-98.2125.5170.400000110.8L1127 Q1128G1067-L1127 WeakPolarHBondContact O-CA 3.49Å; G1067-Q1128 PolarHBondContact N-O 3.15Å; G1067-Q1128 PolarHBondContact O-N 3.09Å
1068F93.9Very high87Confident0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-102.2102.6176-64.2-87.8000108.6V1066 F1073 L1077 N1079 A1080 F1082 Y1084 F1103 L1127 W1212V1066-F1068 HydrophobicContact CB-CE2 4.18Å; V1066-F1068 HydrophobicContact CB-CZ 4.5Å; V1066-F1068 HydrophobicContact CG1-CD2 4.12Å; V1066-F1068 HydrophobicContact CG1-CE1 4.12Å; V1066-F1068 HydrophobicContact CG1-CE2 3.57Å; V1066-F1068 HydrophobicContact CG1-CZ 3.57Å; F1068-F1073 HydrophobicContact CB-CD2 4.02Å; F1068-F1073 HydrophobicContact CB-CE2 4.05Å; F1068-F1073 HydrophobicContact CB-CG 4.37Å; F1068-F1073 HydrophobicContact CB-CZ 4.43Å; F1068-F1073 HydrophobicContact CD1-CD1 4.07Å; F1068-F1073 AromaticContact CD1-CE1 3.71Å; F1068-F1073 HydrophobicContact CD1-CE1 3.71Å; F1068-F1073 HydrophobicContact CD1-CE2 4.3Å; F1068-F1073 AromaticContact CD1-CZ 3.83Å; F1068-F1073 HydrophobicContact CD1-CZ 3.83Å; F1068-F1073 HydrophobicContact CE1-CE1 4.41Å; F1068-L1077 HydrophobicContact CB-CB 4.25Å; F1068-L1077 WeakPolarHBondContact CB-O 3.32Å; F1068-L1077 HydrophobicContact CD1-CD1 4.37Å; F1068-L1077 HydrophobicContact CD2-CD2 4.17Å; F1068-L1077 HydrophobicContact CE1-CD1 4.37Å; F1068-L1077 HydrophobicContact CE2-CD2 4.2Å; F1068-L1077 HydrophobicContact CG-CB 4.3Å; F1068-L1077 HydrophobicContact CG-CD2 4.48Å; F1068-N1079 CarbonylContact O-C 3.46Å; F1068-N1079 WeakPolarHBondContact O-CA 3.25Å; F1068-N1079 PolarHBondContact O-N 3.07Å; F1068-A1080 PolarHBondContact N-O 3.23Å; F1068-A1080 PolarHBondContact O-N 2.6Å; F1068-F1082 AromaticContact CD2-CD2 3.84Å; F1068-F1082 HydrophobicContact CD2-CD2 3.84Å; F1068-F1082 HydrophobicContact CD2-CE2 4.2Å; F1068-F1082 AromaticContact CE2-CD2 3.82Å; F1068-F1082 HydrophobicContact CE2-CD2 3.82Å; F1068-F1082 HydrophobicContact CE2-CE2 4.38Å; F1068-Y1084 HydrophobicContact CE2-CE2 4.47Å; F1068-F1103 HydrophobicContact CE1-CD2 4.09Å; F1068-F1103 AromaticContact CE1-CE2 3.65Å; F1068-F1103 HydrophobicContact CE1-CE2 3.65Å; F1068-F1103 AromaticContact CE1-CZ 3.98Å; F1068-F1103 HydrophobicContact CE1-CZ 3.98Å; F1068-F1103 HydrophobicContact CZ-CE2 4.3Å; F1068-L1127 HydrophobicContact CD1-CD2 3.5Å; F1068-L1127 VanDerWaalsContact CD1-CD2 3.5Å; F1068-L1127 HydrophobicContact CE1-CD2 3.61Å; F1068-L1127 HydrophobicContact CG-CD2 4.31Å; F1068-L1127 HydrophobicContact CZ-CD2 4.5Å; F1068-W1212 HydrophobicContact CE2-CZ3 4.15Å; F1068-W1212 HydrophobicContact CZ-CZ3 4.48Å
1069F94.3Very high87.5Confident11 Ų1130.9 Ų30.95%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-113.9141.6-174.4-56.7-69.6000112.1F1073 P1115 I1119 K1120 Y1126 Q1128F1069-F1073 WeakPolarHBondContact O-CE2 3.33Å; F1069-P1115 HydrophobicContact CB-CG 4.47Å; F1069-P1115 HydrophobicContact CD1-CB 4.43Å; F1069-P1115 HydrophobicContact CD1-CG 3.82Å; F1069-P1115 HydrophobicContact CD2-CB 4.3Å; F1069-P1115 HydrophobicContact CD2-CG 3.38Å; F1069-P1115 HydrophobicContact CE1-CG 3.82Å; F1069-P1115 HydrophobicContact CE2-CG 3.35Å; F1069-P1115 HydrophobicContact CG-CB 4.18Å; F1069-P1115 HydrophobicContact CG-CG 3.62Å; F1069-P1115 HydrophobicContact CZ-CG 3.59Å; F1069-I1119 HydrophobicContact CB-CG2 4.09Å; F1069-K1120 HydrophobicContact CD1-CG 4.45Å; F1069-Y1126 PolarHBondContact N-O 3.39Å; F1069-Y1126 PolarHBondContact O-N 2.84Å; F1069-Q1128 HydrophobicContact CD2-CB 4.35Å; F1069-Q1128 HydrophobicContact CE2-CB 3.9Å
1070G91.9Very high88.4Confident0 Ų031.3 Ų31.30%018%0.176CC..SBendtrans103.2156.8-176.700000113.7G1072 N1079G1070-G1072 VanDerWaalsContact C-N 3.28Å; G1070-G1072 PolarHBondContact O-N 2.96Å; G1070-N1079 PolarHBondContact N-OD1 2.86Å
1071L88.8Confident89.4Confident86 Ų8627.8 Ų27.845%0.4516%0.161SC..THydrogen-bonded Turntrans-80.9-7.4-176.2-57.9177.8000112.9F1073 Q1078 S1121 S1122L1071-F1073 VanDerWaalsContact C-N 3.26Å; L1071-F1073 PolarHBondContact O-N 3.47Å; L1071-Q1078 PolarHBondContact O-NE2 3.04Å; L1071-S1121 WeakPolarHBondContact CD1-O 3.38Å; L1071-S1122 WeakPolarHBondContact CB-O 3.39Å; L1071-S1122 PolarHBondContact N-O 3.08Å
1072G84.4Confident90Very high30 Ų3028 Ų2831%0.30916%0.161SC..THydrogen-bonded Turntrans-72.1-15.4177.700000114.2G1070 S1123 D1124 Q1125G1070-G1072 VanDerWaalsContact C-N 3.28Å; G1070-G1072 PolarHBondContact O-N 2.96Å; G1072-S1123 VanDerWaalsContact CA-O 3.28Å; G1072-S1123 WeakPolarHBondContact CA-O 3.4Å; G1072-S1123 PolarHBondContact N-O 3.46Å; G1072-D1124 PolarHBondContact N-O 3.28Å; G1072-Q1125 PolarHBondContact O-NE2 2.91Å
1073F85.3Confident90.2Very high4 Ų426.4 Ų26.42%0.01815%0.153CC..SBendtrans-77.8158.7174.4-74.1-69000111.9F1068 F1069 L1071 L1077 Q1078 F1103 A1106 Q1125 Y1126 L1127F1068-F1073 HydrophobicContact CB-CD2 4.02Å; F1068-F1073 HydrophobicContact CB-CE2 4.05Å; F1068-F1073 HydrophobicContact CB-CG 4.37Å; F1068-F1073 HydrophobicContact CB-CZ 4.43Å; F1068-F1073 HydrophobicContact CD1-CD1 4.07Å; F1068-F1073 AromaticContact CD1-CE1 3.71Å; F1068-F1073 HydrophobicContact CD1-CE1 3.71Å; F1068-F1073 HydrophobicContact CD1-CE2 4.3Å; F1068-F1073 AromaticContact CD1-CZ 3.83Å; F1068-F1073 HydrophobicContact CD1-CZ 3.83Å; F1068-F1073 HydrophobicContact CE1-CE1 4.41Å; F1069-F1073 WeakPolarHBondContact O-CE2 3.33Å; L1071-F1073 VanDerWaalsContact C-N 3.26Å; L1071-F1073 PolarHBondContact O-N 3.47Å; F1073-L1077 HydrophobicContact CB-CB 4.02Å; F1073-Q1078 HydrophobicContact CB-CG 4.19Å; F1073-Q1078 VanDerWaalsContact O-CG 3.22Å; F1073-Q1078 WeakPolarHBondContact O-CG 3.2Å; F1073-Q1078 PolarHBondContact O-NE2 3.01Å; F1073-F1103 HydrophobicContact CD1-CD1 4.02Å; F1073-F1103 HydrophobicContact CD1-CE1 4.07Å; F1073-F1103 HydrophobicContact CE1-CB 4.35Å; F1073-F1103 AromaticContact CE1-CD1 3.61Å; F1073-F1103 HydrophobicContact CE1-CD1 3.61Å; F1073-F1103 HydrophobicContact CE1-CE1 4.04Å; F1073-F1103 AromaticContact CE1-CG 3.98Å; F1073-F1103 HydrophobicContact CE1-CG 3.98Å; F1073-A1106 HydrophobicContact CE1-CB 4.46Å; F1073-A1106 HydrophobicContact CZ-CB 3.96Å; F1073-Q1125 HydrophobicContact CD1-CG 4.1Å; F1073-Q1125 HydrophobicContact CD2-CB 4.28Å; F1073-Q1125 HydrophobicContact CD2-CG 4.15Å; F1073-Q1125 HydrophobicContact CE1-CB 4.08Å; F1073-Q1125 HydrophobicContact CE1-CG 4.06Å; F1073-Q1125 HydrophobicContact CE2-CB 3.77Å; F1073-Q1125 HydrophobicContact CE2-CG 4.13Å; F1073-Q1125 HydrophobicContact CG-CG 4.14Å; F1073-Q1125 HydrophobicContact CZ-CB 3.66Å; F1073-Q1125 HydrophobicContact CZ-CG 4.08Å; F1073-Y1126 WeakPolarHBondContact CE2-O 3.41Å; F1073-L1127 HydrophobicContact CE1-CD2 4.48Å; F1073-L1127 HydrophobicContact CZ-CD2 3.9Å; F1073-L1127 HydrophobicContact CZ-CG 4.17Å
1074P78.2Confident90.2Very high41 Ų4126.7 Ų26.727%0.26615%0.154SC..  trans-52.1145166.7-24.934.3000111.5F1076 L1077 Q1078P1074-F1076 HydrophobicContact CB-CD1 3.78Å; P1074-F1076 HydrophobicContact CB-CE1 3.44Å; P1074-F1076 VanDerWaalsContact CB-CE1 3.44Å; P1074-F1076 HydrophobicContact CB-CZ 4.19Å; P1074-F1076 HydrophobicContact CG-CE1 4.22Å; P1074-F1076 PolarHBondContact O-N 2.78Å; P1074-L1077 HydrophobicContact CG-CD1 4.5Å; P1074-L1077 WeakPolarHBondContact O-CA 3.37Å; P1074-L1077 PolarHBondContact O-N 3.06Å; P1074-Q1078 PolarHBondContact O-N 2.99Å
1075S75.3Confident90Very high90 Ų9027.9 Ų27.963%0.62916%0.159SC*.THydrogen-bonded Turntrans-49.9-37.2-172.152.60000114.3L1077 Q1078S1075-L1077 VanDerWaalsContact C-N 3.27Å; S1075-L1077 PolarHBondContact O-N 2.79Å; S1075-Q1078 PolarHBondContact O-N 3.29Å
1076F78.1Confident89.6Confident80 Ų8027.4 Ų27.435%0.35116%0.158SC..THydrogen-bonded Turntrans-73.1-13.217971.6-89.6000114.8N943 P1074N943-F1076 HydrophobicContact CB-CZ 4.28Å; P1074-F1076 HydrophobicContact CB-CD1 3.78Å; P1074-F1076 HydrophobicContact CB-CE1 3.44Å; P1074-F1076 VanDerWaalsContact CB-CE1 3.44Å; P1074-F1076 HydrophobicContact CB-CZ 4.19Å; P1074-F1076 HydrophobicContact CG-CE1 4.22Å; P1074-F1076 PolarHBondContact O-N 2.78Å
1077L84.6Confident89.1Confident0 Ų030.8 Ų30.80%018%0.176CC..THydrogen-bonded Turntrans-104.6-17175.8-66.6-179.8000113.1F1068 F1073 P1074 S1075 N1079 A1080 F1082 F1103 W1212F1068-L1077 HydrophobicContact CB-CB 4.25Å; F1068-L1077 WeakPolarHBondContact CB-O 3.32Å; F1068-L1077 HydrophobicContact CD1-CD1 4.37Å; F1068-L1077 HydrophobicContact CD2-CD2 4.17Å; F1068-L1077 HydrophobicContact CE1-CD1 4.37Å; F1068-L1077 HydrophobicContact CE2-CD2 4.2Å; F1068-L1077 HydrophobicContact CG-CB 4.3Å; F1068-L1077 HydrophobicContact CG-CD2 4.48Å; F1073-L1077 HydrophobicContact CB-CB 4.02Å; P1074-L1077 HydrophobicContact CG-CD1 4.5Å; P1074-L1077 WeakPolarHBondContact O-CA 3.37Å; P1074-L1077 PolarHBondContact O-N 3.06Å; S1075-L1077 VanDerWaalsContact C-N 3.27Å; S1075-L1077 PolarHBondContact O-N 2.79Å; L1077-N1079 PolarHBondContact O-N 3.27Å; L1077-N1079 VanDerWaalsContact O-N 3.16Å; L1077-A1080 PolarHBondContact O-N 3.38Å; L1077-A1080 VanDerWaalsContact O-N 3.15Å; L1077-F1082 HydrophobicContact CD2-CE2 3.76Å; L1077-F1082 HydrophobicContact CD2-CZ 4.03Å; L1077-F1103 HydrophobicContact CD1-CE1 4.21Å; L1077-F1103 HydrophobicContact CD1-CZ 3.9Å; L1077-W1212 HydrophobicContact CD2-CH2 3.86Å; L1077-W1212 HydrophobicContact CD2-CZ3 3.93Å
1078Q88.5Confident88.2Confident69 Ų6932.1 Ų32.132%0.32219%0.189SC..THydrogen-bonded Turntrans-59.8120.7-173.9-69.8177.310.600111.7L1071 F1073 P1074 S1075 A1080L1071-Q1078 PolarHBondContact O-NE2 3.04Å; F1073-Q1078 HydrophobicContact CB-CG 4.19Å; F1073-Q1078 VanDerWaalsContact O-CG 3.22Å; F1073-Q1078 WeakPolarHBondContact O-CG 3.2Å; F1073-Q1078 PolarHBondContact O-NE2 3.01Å; P1074-Q1078 PolarHBondContact O-N 2.99Å; S1075-Q1078 PolarHBondContact O-N 3.29Å; Q1078-A1080 PolarHBondContact O-N 3.09Å; Q1078-A1080 VanDerWaalsContact O-N 3.17Å
1079N91.1Very high87.7Confident63 Ų6339.8 Ų39.834%0.33722%0.219SC..THydrogen-bonded Turntrans56.425.7179.6-59.3-44000114.1F1068 G1070 L1077 K1120F1068-N1079 CarbonylContact O-C 3.46Å; F1068-N1079 WeakPolarHBondContact O-CA 3.25Å; F1068-N1079 PolarHBondContact O-N 3.07Å; G1070-N1079 PolarHBondContact N-OD1 2.86Å; L1077-N1079 PolarHBondContact O-N 3.27Å; L1077-N1079 VanDerWaalsContact O-N 3.16Å; N1079-K1120 PolarHBondContact ND2-O 3.02Å; N1079-K1120 WeakPolarHBondContact OD1-CA 3.38Å; N1079-K1120 PolarHBondContact OD1-O 2.98Å
1080A92Very high87.5Confident26 Ų2640.1 Ų40.122%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-102.3148.1-179.800000111.8F1068 L1077 Q1078 F1082F1068-A1080 PolarHBondContact N-O 3.23Å; F1068-A1080 PolarHBondContact O-N 2.6Å; L1077-A1080 PolarHBondContact O-N 3.38Å; L1077-A1080 VanDerWaalsContact O-N 3.15Å; Q1078-A1080 PolarHBondContact O-N 3.09Å; Q1078-A1080 VanDerWaalsContact O-N 3.17Å; A1080-F1082 HydrophobicContact CB-CD2 4.43Å; A1080-F1082 HydrophobicContact CB-CE2 3.65Å; A1080-F1082 HydrophobicContact CB-CZ 4.37Å
1081T95.1Very high87.4Confident22 Ų2244.8 Ų44.814%0.13524%0.239CC..EExtended strand (participates in β ladder)trans-117.9137.5178.3-58.30000110.3R1065 V1066 V1215R1065-T1081 HydrophobicContact CG-CG2 3.73Å; V1066-T1081 WeakPolarHBondContact O-CA 3.01Å; T1081-V1215 HydrophobicContact CG2-CG2 3.93Å; T1081-V1215 PolarHBondContact O-N 3.07Å
1082F95.5Very high87.6Confident19 Ų1943.9 Ų43.98%0.08323%0.234CC..EExtended strand (participates in β ladder)trans-129.8152.4-179-66.8-102.2000110.5R1065 V1066 F1068 L1077 A1080 Y1084 W1212 F1213 P1214R1065-F1082 CarbonylContact C-O 3.55Å; R1065-F1082 WeakPolarHBondContact CA-O 3.31Å; V1066-F1082 PolarHBondContact N-O 3.02Å; V1066-F1082 PolarHBondContact O-N 3.24Å; F1068-F1082 AromaticContact CD2-CD2 3.84Å; F1068-F1082 HydrophobicContact CD2-CD2 3.84Å; F1068-F1082 HydrophobicContact CD2-CE2 4.2Å; F1068-F1082 AromaticContact CE2-CD2 3.82Å; F1068-F1082 HydrophobicContact CE2-CD2 3.82Å; F1068-F1082 HydrophobicContact CE2-CE2 4.38Å; L1077-F1082 HydrophobicContact CD2-CE2 3.76Å; L1077-F1082 HydrophobicContact CD2-CZ 4.03Å; A1080-F1082 HydrophobicContact CB-CD2 4.43Å; A1080-F1082 HydrophobicContact CB-CE2 3.65Å; A1080-F1082 HydrophobicContact CB-CZ 4.37Å; F1082-Y1084 HydrophobicContact CB-CD2 4.21Å; F1082-Y1084 HydrophobicContact CB-CE2 3.77Å; F1082-W1212 HydrophobicContact CB-CE3 3.79Å; F1082-W1212 HydrophobicContact CB-CZ3 4.37Å; F1082-W1212 HydrophobicContact CD1-CD2 4.18Å; F1082-W1212 AromaticContact CD1-CE3 3.25Å; F1082-W1212 HydrophobicContact CD1-CE3 3.25Å; F1082-W1212 AromaticContact CD1-CZ3 3.57Å; F1082-W1212 HydrophobicContact CD1-CZ3 3.57Å; F1082-W1212 HydrophobicContact CD2-CE3 4.19Å; F1082-W1212 AromaticContact CD2-CZ3 3.94Å; F1082-W1212 HydrophobicContact CD2-CZ3 3.94Å; F1082-W1212 AromaticContact CE1-CE3 3.82Å; F1082-W1212 HydrophobicContact CE1-CE3 3.82Å; F1082-W1212 AromaticContact CE1-CZ3 3.72Å; F1082-W1212 HydrophobicContact CE1-CZ3 3.72Å; F1082-W1212 HydrophobicContact CE2-CZ3 4.06Å; F1082-W1212 AromaticContact CG-CE3 3.49Å; F1082-W1212 HydrophobicContact CG-CE3 3.49Å; F1082-W1212 VanDerWaalsContact CG-CE3 3.49Å; F1082-W1212 AromaticContact CG-CZ3 3.7Å; F1082-W1212 HydrophobicContact CG-CZ3 3.7Å; F1082-W1212 HydrophobicContact CZ-CE3 4.49Å; F1082-W1212 AromaticContact CZ-CZ3 3.97Å; F1082-W1212 HydrophobicContact CZ-CZ3 3.97Å; F1082-F1213 WeakPolarHBondContact CA-O 3.3Å; F1082-P1214 VanDerWaalsContact CD1-CA 3.47Å; F1082-P1214 HydrophobicContact CD1-CB 3.95Å; F1082-P1214 VanDerWaalsContact CD1-N 3.33Å; F1082-P1214 HydrophobicContact CE1-CB 3.65Å; F1082-P1214 HydrophobicContact CE1-CG 4.19Å; F1082-P1214 HydrophobicContact CZ-CB 4.18Å
1083V97.1Very high87.9Confident0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-104.9137.3164.7-179.70000108.1Y1063 F1064 V1132 F1164 L1200 T1202 F1206 W1212 F1213 V1215Y1063-V1083 HydrophobicContact CD1-CG1 4.17Å; F1064-V1083 CarbonylContact O-C 3.53Å; F1064-V1083 WeakPolarHBondContact O-CA 3.45Å; V1083-V1132 HydrophobicContact CG1-CG2 4.03Å; V1083-F1164 HydrophobicContact CB-CD2 4.44Å; V1083-F1164 HydrophobicContact CG1-CD1 4.32Å; V1083-F1164 HydrophobicContact CG1-CD2 3.99Å; V1083-F1164 HydrophobicContact CG1-CE1 4.32Å; V1083-F1164 HydrophobicContact CG1-CE2 3.98Å; V1083-F1164 HydrophobicContact CG1-CG 4.16Å; V1083-F1164 HydrophobicContact CG1-CZ 4.14Å; V1083-F1164 HydrophobicContact CG2-CD2 4.13Å; V1083-L1200 HydrophobicContact CG2-CD1 4.11Å; V1083-T1202 HydrophobicContact CB-CG2 3.67Å; V1083-T1202 HydrophobicContact CG2-CG2 3.67Å; V1083-F1206 HydrophobicContact CB-CE2 4.26Å; V1083-F1206 HydrophobicContact CG1-CE2 4.22Å; V1083-F1206 VanDerWaalsContact O-CZ 3.28Å; V1083-F1206 WeakPolarHBondContact O-CZ 3.41Å; V1083-W1212 CarbonylContact O-C 3.57Å; V1083-W1212 WeakPolarHBondContact O-CA 3.27Å; V1083-W1212 WeakPolarHBondContact O-CB 3.03Å; V1083-F1213 PolarHBondContact N-O 3.18Å; V1083-F1213 PolarHBondContact O-N 3.47Å; V1083-V1215 HydrophobicContact CG2-CG2 3.94Å
1084Y95.1Very high88.2Confident7 Ų750.6 Ų50.63%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-114.8144.2179-77-110000110.1Y1063 F1064 V1066 F1068 F1082 F1095 I1099 R1211 W1212Y1063-Y1084 CarbonylContact C-O 3.47Å; Y1063-Y1084 VanDerWaalsContact CA-O 3.27Å; Y1063-Y1084 WeakPolarHBondContact CA-O 3.04Å; F1064-Y1084 PolarHBondContact N-O 2.64Å; F1064-Y1084 PolarHBondContact O-N 3.26Å; V1066-Y1084 HydrophobicContact CB-CD2 3.98Å; V1066-Y1084 HydrophobicContact CB-CE2 3.7Å; V1066-Y1084 HydrophobicContact CG1-CE2 4.4Å; V1066-Y1084 HydrophobicContact CG2-CD2 3.51Å; V1066-Y1084 HydrophobicContact CG2-CE2 3.61Å; V1066-Y1084 HydrophobicContact CG2-CG 4.33Å; F1068-Y1084 HydrophobicContact CE2-CE2 4.47Å; F1082-Y1084 HydrophobicContact CB-CD2 4.21Å; F1082-Y1084 HydrophobicContact CB-CE2 3.77Å; Y1084-F1095 HydrophobicContact CD1-CE2 4.05Å; Y1084-F1095 AromaticContact CD1-CZ 3.88Å; Y1084-F1095 HydrophobicContact CD1-CZ 3.88Å; Y1084-F1095 HydrophobicContact CD2-CZ 4.17Å; Y1084-F1095 HydrophobicContact CG-CE2 4.06Å; Y1084-F1095 AromaticContact CG-CZ 3.61Å; Y1084-F1095 HydrophobicContact CG-CZ 3.61Å; Y1084-I1099 HydrophobicContact CE1-CD1 4.08Å; Y1084-R1211 WeakPolarHBondContact CA-O 3.3Å; Y1084-W1212 HydrophobicContact CD1-CB 3.54Å; Y1084-W1212 HydrophobicContact CD1-CG 4.11Å; Y1084-W1212 HydrophobicContact CD2-CB 3.87Å; Y1084-W1212 HydrophobicContact CE1-CB 3.65Å; Y1084-W1212 AromaticContact CE1-CD2 3.84Å; Y1084-W1212 HydrophobicContact CE1-CD2 3.84Å; Y1084-W1212 HydrophobicContact CE1-CE3 4.02Å; Y1084-W1212 AromaticContact CE1-CG 3.72Å; Y1084-W1212 HydrophobicContact CE1-CG 3.72Å; Y1084-W1212 HydrophobicContact CE2-CB 3.95Å; Y1084-W1212 HydrophobicContact CE2-CD2 4.14Å; Y1084-W1212 AromaticContact CE2-CE3 3.56Å; Y1084-W1212 HydrophobicContact CE2-CE3 3.56Å; Y1084-W1212 HydrophobicContact CE2-CG 4.36Å; Y1084-W1212 HydrophobicContact CE2-CZ3 4.32Å; Y1084-W1212 HydrophobicContact CG-CB 3.66Å; Y1084-W1212 AromaticContact CZ-CD2 3.56Å; Y1084-W1212 AromaticContact CZ-CE3 3.23Å; Y1084-W1212 AromaticContact CZ-CG 3.87Å; Y1084-W1212 AromaticContact CZ-CZ3 3.88Å; Y1084-W1212 WeakPolarHBondContact OH-CZ3 3.22Å
1085R92.8Very high89Confident26 Ų2648.7 Ų48.710%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-95.3110.8167.1-174.3-175.5-169.7-144.63.6109.2E983 P1061 Y1063 N1159 F1206 R1211E983-R1085 IonicContact OE1-NH1 2.84Å; E983-R1085 PolarHBondContact OE1-NH1 2.84Å; E983-R1085 VanDerWaalsContact OE1-NH1 3.12Å; P1061-R1085 HydrophobicContact CB-CG 4.38Å; Y1063-R1085 HydrophobicContact CD1-CB 4.18Å; Y1063-R1085 HydrophobicContact CD1-CG 4.49Å; Y1063-R1085 HydrophobicContact CE1-CB 3.78Å; Y1063-R1085 HydrophobicContact CE1-CG 3.83Å; R1085-N1159 PolarHBondContact NH2-OD1 3.19Å; R1085-F1206 HydrophobicContact CB-CD1 3.88Å; R1085-F1206 HydrophobicContact CB-CE1 4.09Å; R1085-R1211 PolarHBondContact N-O 2.61Å; R1085-R1211 PolarHBondContact O-NH2 2.8Å
1086G88.8Confident89.8Confident2 Ų245 Ų452%0.02124%0.236CC..  trans-66.8165.6177.300000113.4E1062 E1090 R1211E1062-G1086 WeakPolarHBondContact O-CA 3.45Å; E1062-G1086 PolarHBondContact O-N 2.83Å; G1086-E1090 VanDerWaalsContact CA-OE2 3.28Å; G1086-E1090 WeakPolarHBondContact CA-OE2 3.22Å; G1086-R1211 PolarHBondContact O-NH2 3.43Å
1087D86Confident90.4Very high71 Ų7144 Ų4438%0.3824%0.242SC..  trans-68.2158.8169.8-58.7-47.6000111.1Y1089 E1090 R1211D1087-Y1089 PolarHBondContact O-N 3.13Å; D1087-E1090 HydrophobicContact CB-CB 3.93Å; D1087-E1090 PolarHBondContact N-OE2 3.37Å; D1087-E1090 WeakPolarHBondContact O-CB 3.47Å; D1087-E1090 PolarHBondContact O-N 3.03Å; D1087-R1211 IonicContact OD1-CZ 3.35Å; D1087-R1211 IonicContact OD1-NH1 2.86Å; D1087-R1211 PolarHBondContact OD1-NH1 3.3Å; D1087-R1211 IonicContact OD1-NH2 3.02Å; D1087-R1211 PolarHBondContact OD1-NH2 3.33Å
1088G75.8Confident90.6Very high27 Ų2747.6 Ų47.628%0.27826%0.256SS..THydrogen-bonded Turntrans-53.2-30.2-169.300000115.6A1059A1059-G1088 WeakPolarHBondContact CB-O 3.48Å
1089Y83.3Confident90.7Very high162 Ų16244.3 Ų44.364%0.63524%0.241SC*.THydrogen-bonded Turntrans-1175.4177.4-63.1-74.6000113.6A1059 D1087A1059-Y1089 HydrophobicContact CB-CD1 4Å; A1059-Y1089 HydrophobicContact CB-CD2 3.77Å; A1059-Y1089 HydrophobicContact CB-CE1 3.63Å; A1059-Y1089 HydrophobicContact CB-CE2 3.38Å; A1059-Y1089 HydrophobicContact CB-CG 4.07Å; D1087-Y1089 PolarHBondContact O-N 3.13Å
1090E90Very high90.6Very high18 Ų1845.1 Ų45.18%0.08424%0.242CC..  trans-70.4136.2179.3-167.4177.3-148.700109.7G1086 D1087 D1094 F1095 R1098G1086-E1090 VanDerWaalsContact CA-OE2 3.28Å; G1086-E1090 WeakPolarHBondContact CA-OE2 3.22Å; D1087-E1090 HydrophobicContact CB-CB 3.93Å; D1087-E1090 PolarHBondContact N-OE2 3.37Å; D1087-E1090 WeakPolarHBondContact O-CB 3.47Å; D1087-E1090 PolarHBondContact O-N 3.03Å; E1090-D1094 HydrophobicContact CG-CB 4.23Å; E1090-F1095 HydrophobicContact CG-CB 3.96Å; E1090-F1095 WeakPolarHBondContact OE1-CA 3.38Å; E1090-R1098 VanDerWaalsContact CD-NH2 3.34Å; E1090-R1098 IonicContact OE1-CZ 2.74Å; E1090-R1098 VanDerWaalsContact OE1-CZ 3.28Å; E1090-R1098 IonicContact OE1-NE 3.2Å; E1090-R1098 PolarHBondContact OE1-NE 3.21Å; E1090-R1098 IonicContact OE1-NH2 2.67Å; E1090-R1098 PolarHBondContact OE1-NH2 2.89Å; E1090-R1098 IonicContact OE2-CZ 3.36Å; E1090-R1098 IonicContact OE2-NH2 3.59Å; E1090-R1098 PolarHBondContact OE2-NH2 3.36Å
1091R90.6Very high90.4Very high98 Ų9847.5 Ų47.537%0.3726%0.262SS..  trans-118.1163.9177.1-59-60.6175.5-124.17.7109.4E1062 A1093 D1094 F1095E1062-R1091 WeakPolarHBondContact OE2-CD 3.35Å; R1091-A1093 PolarHBondContact O-N 3.32Å; R1091-D1094 PolarHBondContact O-N 2.91Å; R1091-F1095 PolarHBondContact O-N 3.26Å
1092L91.8Very high90Very high67 Ų6748.8 Ų48.835%0.35127%0.266SS..Hα-helixtrans-47.9-40.8-175179.562.3000114.2F1064 A1096 I1129F1064-L1092 HydrophobicContact CD1-CB 4.49Å; F1064-L1092 HydrophobicContact CD1-CD1 3.79Å; F1064-L1092 VanDerWaalsContact CE1-CA 3.49Å; F1064-L1092 HydrophobicContact CE1-CB 3.88Å; F1064-L1092 HydrophobicContact CE1-CD1 4.05Å; L1092-A1096 WeakPolarHBondContact O-CB 3.4Å; L1092-A1096 PolarHBondContact O-N 3.46Å; L1092-I1129 HydrophobicContact CD1-CG2 4.01Å
1093A90.4Very high89.6Confident75 Ų7548.2 Ų48.262%0.6226%0.264SS*.Hα-helixtrans-66.3-44.7-17900000112.2R1091 A1097R1091-A1093 PolarHBondContact O-N 3.32Å; A1093-A1097 WeakPolarHBondContact O-CB 3.23Å; A1093-A1097 PolarHBondContact O-N 3.37Å
1094D92.8Very high88.9Confident100 Ų10053.4 Ų53.454%0.53530%0.298SS..Hα-helixtrans-68.9-43.6179.4-52.4-55.4000110.5E1090 R1091 A1097 R1098E1090-D1094 HydrophobicContact CG-CB 4.23Å; R1091-D1094 PolarHBondContact O-N 2.91Å; D1094-A1097 PolarHBondContact O-N 2.84Å; D1094-R1098 PolarHBondContact O-N 2.63Å
1095F93.9Very high88.5Confident0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-59.9-49.2175.4179.5-92.1000112F1064 V1066 Y1084 E1090 R1091 A1097 R1098 I1099 I1129F1064-F1095 HydrophobicContact CB-CD1 3.66Å; F1064-F1095 HydrophobicContact CB-CD2 4.46Å; F1064-F1095 HydrophobicContact CB-CE1 3.38Å; F1064-F1095 HydrophobicContact CB-CE2 4.23Å; F1064-F1095 HydrophobicContact CB-CG 4.21Å; F1064-F1095 HydrophobicContact CB-CZ 3.71Å; F1064-F1095 HydrophobicContact CD1-CD1 4.12Å; F1064-F1095 HydrophobicContact CD1-CG 4.3Å; F1064-F1095 HydrophobicContact CD2-CB 3.96Å; F1064-F1095 AromaticContact CD2-CD1 3.74Å; F1064-F1095 HydrophobicContact CD2-CD1 3.74Å; F1064-F1095 AromaticContact CD2-CD2 3.32Å; F1064-F1095 HydrophobicContact CD2-CD2 3.32Å; F1064-F1095 HydrophobicContact CD2-CE1 4.07Å; F1064-F1095 AromaticContact CD2-CE2 3.7Å; F1064-F1095 HydrophobicContact CD2-CE2 3.7Å; F1064-F1095 AromaticContact CD2-CG 3.36Å; F1064-F1095 HydrophobicContact CD2-CG 3.36Å; F1064-F1095 HydrophobicContact CD2-CZ 4.07Å; F1064-F1095 HydrophobicContact CE1-CB 4.4Å; F1064-F1095 HydrophobicContact CE2-CB 3.76Å; F1064-F1095 HydrophobicContact CE2-CD1 4.4Å; F1064-F1095 AromaticContact CE2-CD2 3.73Å; F1064-F1095 HydrophobicContact CE2-CD2 3.73Å; F1064-F1095 HydrophobicContact CE2-CE2 4.5Å; F1064-F1095 AromaticContact CE2-CG 3.7Å; F1064-F1095 HydrophobicContact CE2-CG 3.7Å; F1064-F1095 HydrophobicContact CG-CB 4.33Å; F1064-F1095 AromaticContact CG-CD1 3.55Å; F1064-F1095 HydrophobicContact CG-CD1 3.55Å; F1064-F1095 HydrophobicContact CG-CD2 4.04Å; F1064-F1095 AromaticContact CG-CE1 3.82Å; F1064-F1095 HydrophobicContact CG-CE1 3.82Å; F1064-F1095 HydrophobicContact CG-CE2 4.28Å; F1064-F1095 AromaticContact CG-CG 3.69Å; F1064-F1095 HydrophobicContact CG-CG 3.69Å; F1064-F1095 HydrophobicContact CG-CZ 4.19Å; F1064-F1095 HydrophobicContact CZ-CB 4Å; F1064-F1095 HydrophobicContact CZ-CG 4.32Å; V1066-F1095 HydrophobicContact CG2-CE1 3.62Å; V1066-F1095 HydrophobicContact CG2-CZ 3.83Å; Y1084-F1095 HydrophobicContact CD1-CE2 4.05Å; Y1084-F1095 AromaticContact CD1-CZ 3.88Å; Y1084-F1095 HydrophobicContact CD1-CZ 3.88Å; Y1084-F1095 HydrophobicContact CD2-CZ 4.17Å; Y1084-F1095 HydrophobicContact CG-CE2 4.06Å; Y1084-F1095 AromaticContact CG-CZ 3.61Å; Y1084-F1095 HydrophobicContact CG-CZ 3.61Å; E1090-F1095 HydrophobicContact CG-CB 3.96Å; E1090-F1095 WeakPolarHBondContact OE1-CA 3.38Å; R1091-F1095 PolarHBondContact O-N 3.26Å; F1095-A1097 VanDerWaalsContact C-N 3.31Å; F1095-A1097 PolarHBondContact O-N 3.05Å; F1095-R1098 PolarHBondContact O-N 2.66Å; F1095-I1099 HydrophobicContact CD1-CG1 4.18Å; F1095-I1099 HydrophobicContact CE1-CD1 4.46Å; F1095-I1099 HydrophobicContact CE1-CG1 3.63Å; F1095-I1099 HydrophobicContact CE2-CD1 4.29Å; F1095-I1099 HydrophobicContact CE2-CG1 4.17Å; F1095-I1099 HydrophobicContact CZ-CD1 3.94Å; F1095-I1099 HydrophobicContact CZ-CG1 3.61Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.41Å; F1095-I1099 PolarHBondContact O-N 2.95Å; F1095-I1129 HydrophobicContact CD1-CG2 3.77Å; F1095-I1129 HydrophobicContact CE1-CG2 3.76Å
1096A92Very high88.4Confident14 Ų1462.2 Ų62.212%0.11633%0.332CS..Hα-helixtrans-62.4-40.2179.600000111.5L1092 R1098 I1099 Q1100 I1129L1092-A1096 WeakPolarHBondContact O-CB 3.4Å; L1092-A1096 PolarHBondContact O-N 3.46Å; A1096-R1098 VanDerWaalsContact C-N 3.33Å; A1096-R1098 PolarHBondContact O-N 3.19Å; A1096-I1099 PolarHBondContact O-N 3.31Å; A1096-Q1100 VanDerWaalsContact O-CB 3.23Å; A1096-Q1100 WeakPolarHBondContact O-CB 3.23Å; A1096-Q1100 PolarHBondContact O-N 2.97Å; A1096-I1129 HydrophobicContact CB-CD1 4.24Å; A1096-I1129 HydrophobicContact CB-CG2 4.35Å
1097A91.1Very high88.5Confident58 Ų5866.4 Ų66.448%0.47935%0.354SS..Hα-helixtrans-62.2-40175.500000112A1093 D1094 F1095 Q1100 A1101A1093-A1097 WeakPolarHBondContact O-CB 3.23Å; A1093-A1097 PolarHBondContact O-N 3.37Å; D1094-A1097 PolarHBondContact O-N 2.84Å; F1095-A1097 VanDerWaalsContact C-N 3.31Å; F1095-A1097 PolarHBondContact O-N 3.05Å; A1097-Q1100 PolarHBondContact O-N 2.81Å; A1097-A1101 WeakPolarHBondContact O-CB 3.04Å; A1097-A1101 PolarHBondContact O-N 3.19Å
1098R90Very high88.8Confident76 Ų7665.6 Ų65.629%0.28735%0.349SS..Hα-helixtrans-64.5-49.9176.8-179.1169.257.682.6-12.3112.3E1090 D1094 F1095 A1096 Q1100 A1101 E1102E1090-R1098 VanDerWaalsContact CD-NH2 3.34Å; E1090-R1098 IonicContact OE1-CZ 2.74Å; E1090-R1098 VanDerWaalsContact OE1-CZ 3.28Å; E1090-R1098 IonicContact OE1-NE 3.2Å; E1090-R1098 PolarHBondContact OE1-NE 3.21Å; E1090-R1098 IonicContact OE1-NH2 2.67Å; E1090-R1098 PolarHBondContact OE1-NH2 2.89Å; E1090-R1098 IonicContact OE2-CZ 3.36Å; E1090-R1098 IonicContact OE2-NH2 3.59Å; E1090-R1098 PolarHBondContact OE2-NH2 3.36Å; D1094-R1098 PolarHBondContact O-N 2.63Å; F1095-R1098 PolarHBondContact O-N 2.66Å; A1096-R1098 VanDerWaalsContact C-N 3.33Å; A1096-R1098 PolarHBondContact O-N 3.19Å; R1098-Q1100 VanDerWaalsContact C-N 3.3Å; R1098-Q1100 PolarHBondContact O-N 2.69Å; R1098-A1101 WeakPolarHBondContact O-CB 3.47Å; R1098-A1101 PolarHBondContact O-N 3.15Å; R1098-A1101 VanDerWaalsContact O-N 3.15Å; R1098-E1102 IonicContact NH1-OE1 2.78Å; R1098-E1102 PolarHBondContact O-N 3.39Å
1099I90.3Very high89.5Confident0 Ų066.1 Ų66.10%035%0.345CS..Hα-helixtrans-63.9-37.4177.7-60.1-58.7000111.2V1066 Y1084 F1095 A1096 A1101 E1102 F1103 L1127 I1129V1066-I1099 HydrophobicContact CG1-CG2 4.3Å; Y1084-I1099 HydrophobicContact CE1-CD1 4.08Å; F1095-I1099 HydrophobicContact CD1-CG1 4.18Å; F1095-I1099 HydrophobicContact CE1-CD1 4.46Å; F1095-I1099 HydrophobicContact CE1-CG1 3.63Å; F1095-I1099 HydrophobicContact CE2-CD1 4.29Å; F1095-I1099 HydrophobicContact CE2-CG1 4.17Å; F1095-I1099 HydrophobicContact CZ-CD1 3.94Å; F1095-I1099 HydrophobicContact CZ-CG1 3.61Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.41Å; F1095-I1099 PolarHBondContact O-N 2.95Å; A1096-I1099 PolarHBondContact O-N 3.31Å; I1099-A1101 VanDerWaalsContact C-N 3.32Å; I1099-A1101 PolarHBondContact O-N 3.2Å; I1099-E1102 WeakPolarHBondContact O-CB 3.25Å; I1099-E1102 PolarHBondContact O-N 3.47Å; I1099-F1103 HydrophobicContact CG2-CD2 4.44Å; I1099-F1103 PolarHBondContact O-N 3.14Å; I1099-F1103 VanDerWaalsContact O-N 3.1Å; I1099-L1127 HydrophobicContact CG2-CD1 4.06Å; I1099-L1127 HydrophobicContact CG2-CD2 4.41Å; I1099-I1129 HydrophobicContact CB-CD1 3.88Å; I1099-I1129 HydrophobicContact CG2-CD1 3.84Å
1100Q88.4Confident89.5Confident79 Ų7965.5 Ų65.537%0.36935%0.353SS..Hα-helixtrans-68.2-32.1175.6-169.116926.200112.5A1096 A1097 R1098 E1102 F1103 P1104A1096-Q1100 VanDerWaalsContact O-CB 3.23Å; A1096-Q1100 WeakPolarHBondContact O-CB 3.23Å; A1096-Q1100 PolarHBondContact O-N 2.97Å; A1097-Q1100 PolarHBondContact O-N 2.81Å; R1098-Q1100 VanDerWaalsContact C-N 3.3Å; R1098-Q1100 PolarHBondContact O-N 2.69Å; Q1100-E1102 VanDerWaalsContact C-N 3.32Å; Q1100-F1103 CarbonylContact O-C 3.46Å; Q1100-F1103 PolarHBondContact O-N 3.3Å; Q1100-P1104 WeakPolarHBondContact O-CA 3.29Å
1101A87.7Confident89.3Confident77 Ų7767.6 Ų67.664%0.63637%0.369SS*.Hα-helixtrans-68.6-31.4171.800000112.4A1097 R1098 I1099A1097-A1101 WeakPolarHBondContact O-CB 3.04Å; A1097-A1101 PolarHBondContact O-N 3.19Å; R1098-A1101 WeakPolarHBondContact O-CB 3.47Å; R1098-A1101 PolarHBondContact O-N 3.15Å; R1098-A1101 VanDerWaalsContact O-N 3.15Å; I1099-A1101 VanDerWaalsContact C-N 3.32Å; I1099-A1101 PolarHBondContact O-N 3.2Å
1102E86Confident89.1Confident48 Ų4865.2 Ų65.222%0.22436%0.364CS..Hα-helixtrans-68.9-33.4172.5-70.1177-151.400112.3N940 N942 R1098 I1099 Q1100 P1104N940-E1102 PolarHBondContact ND2-OE2 3.26Å; N940-E1102 PolarHBondContact OD1-OE2 3.14Å; N942-E1102 PolarHBondContact ND2-OE1 3.13Å; N942-E1102 PolarHBondContact ND2-OE2 3.07Å; R1098-E1102 IonicContact NH1-OE1 2.78Å; R1098-E1102 PolarHBondContact O-N 3.39Å; I1099-E1102 WeakPolarHBondContact O-CB 3.25Å; I1099-E1102 PolarHBondContact O-N 3.47Å; Q1100-E1102 VanDerWaalsContact C-N 3.32Å; E1102-P1104 WeakPolarHBondContact O-CD 3.38Å
1103F87.1Confident88.8Confident7 Ų766 Ų663%0.03137%0.368CS..SBendtrans-124.971.7179.1-60.6-84.1000111.6F1068 F1073 L1077 I1099 Q1100 R1105 A1106 L1127F1068-F1103 HydrophobicContact CE1-CD2 4.09Å; F1068-F1103 AromaticContact CE1-CE2 3.65Å; F1068-F1103 HydrophobicContact CE1-CE2 3.65Å; F1068-F1103 AromaticContact CE1-CZ 3.98Å; F1068-F1103 HydrophobicContact CE1-CZ 3.98Å; F1068-F1103 HydrophobicContact CZ-CE2 4.3Å; F1073-F1103 HydrophobicContact CD1-CD1 4.02Å; F1073-F1103 HydrophobicContact CD1-CE1 4.07Å; F1073-F1103 HydrophobicContact CE1-CB 4.35Å; F1073-F1103 AromaticContact CE1-CD1 3.61Å; F1073-F1103 HydrophobicContact CE1-CD1 3.61Å; F1073-F1103 HydrophobicContact CE1-CE1 4.04Å; F1073-F1103 AromaticContact CE1-CG 3.98Å; F1073-F1103 HydrophobicContact CE1-CG 3.98Å; L1077-F1103 HydrophobicContact CD1-CE1 4.21Å; L1077-F1103 HydrophobicContact CD1-CZ 3.9Å; I1099-F1103 HydrophobicContact CG2-CD2 4.44Å; I1099-F1103 PolarHBondContact O-N 3.14Å; I1099-F1103 VanDerWaalsContact O-N 3.1Å; Q1100-F1103 CarbonylContact O-C 3.46Å; Q1100-F1103 PolarHBondContact O-N 3.3Å; F1103-R1105 PolarHBondContact O-N 3.14Å; F1103-A1106 HydrophobicContact CB-CB 3.95Å; F1103-A1106 WeakPolarHBondContact O-CB 3.34Å; F1103-A1106 PolarHBondContact O-N 2.94Å; F1103-L1127 HydrophobicContact CB-CD1 4.23Å
1104P84.1Confident88.5Confident109 Ų10966.5 Ų66.571%0.70837%0.365SS*.THydrogen-bonded Turntrans-67.3-14.9-17226.8-35.7000114Q1100 E1102Q1100-P1104 WeakPolarHBondContact O-CA 3.29Å; E1102-P1104 WeakPolarHBondContact O-CD 3.38Å
1105R85.9Confident88.3Confident214 Ų21462.3 Ų62.381%0.80834%0.344SS*.THydrogen-bonded Turntrans-87.6-7.2175.3-67.4-175.9179.2153.50.7113.2F1103F1103-R1105 PolarHBondContact O-N 3.14Å
1106A90.5Very high87.9Confident4 Ų465 Ų653%0.03336%0.362CS..  trans-88133.3-175.200000112.3F1073 F1103 Q1125 L1127F1073-A1106 HydrophobicContact CE1-CB 4.46Å; F1073-A1106 HydrophobicContact CZ-CB 3.96Å; F1103-A1106 HydrophobicContact CB-CB 3.95Å; F1103-A1106 WeakPolarHBondContact O-CB 3.34Å; F1103-A1106 PolarHBondContact O-N 2.94Å; A1106-Q1125 CarbonylContact C-O 3.53Å; A1106-Q1125 VanDerWaalsContact CA-O 3.26Å; A1106-Q1125 WeakPolarHBondContact CA-O 3.2Å; A1106-Q1125 HydrophobicContact CB-CB 3.76Å; A1106-L1127 HydrophobicContact CB-CD1 3.7Å; A1106-L1127 HydrophobicContact CB-CG 3.69Å
1107N91.4Very high87.6Confident91 Ų9170.1 Ų70.149%0.48739%0.388SS..EExtended strand (participates in β ladder)trans-83124.6175.6-69.1-41.2000110.3L1109 Q1125 Y1126 L1127N1107-L1109 PolarHBondContact O-N 2.88Å; N1107-Q1125 PolarHBondContact N-O 2.6Å; N1107-Y1126 HydrophobicContact CB-CD1 3.83Å; N1107-Y1126 HydrophobicContact CB-CE1 4.04Å; N1107-Y1126 WeakPolarHBondContact O-CA 3.41Å; N1107-L1127 PolarHBondContact O-N 3.33Å
1108L91.6Very high87.5Confident53 Ų5375 Ų7528%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-80.1115.9179-172.966.8000110.8N1110 L1127 I1129L1108-N1110 PolarHBondContact O-N 2.8Å; L1108-L1127 CarbonylContact C-O 3.59Å; L1108-L1127 WeakPolarHBondContact CA-O 3.39Å; L1108-L1127 HydrophobicContact CD1-CB 4.14Å; L1108-I1129 HydrophobicContact CD1-CB 4.3Å; L1108-I1129 HydrophobicContact CD1-CD1 3.97Å; L1108-I1129 HydrophobicContact CD1-CG1 3.95Å
1109L89.8Confident87.5Confident38 Ų3872.9 Ų72.920%0.19940%0.395CS..EExtended strand (participates in β ladder)trans-75.9113.9172.6-62.1179.1000109.4N1107 P1115 I1119 Y1126 L1127 Q1128N1107-L1109 PolarHBondContact O-N 2.88Å; L1109-P1115 HydrophobicContact CD1-CG 4.42Å; L1109-I1119 HydrophobicContact CD2-CD1 4.42Å; L1109-Y1126 HydrophobicContact CD2-CD1 3.96Å; L1109-Y1126 HydrophobicContact CG-CD1 4.44Å; L1109-L1127 WeakPolarHBondContact CB-O 3.36Å; L1109-L1127 PolarHBondContact N-O 3.12Å; L1109-Q1128 HydrophobicContact CB-CB 4.3Å; L1109-Q1128 HydrophobicContact CB-CG 4.43Å; L1109-Q1128 HydrophobicContact CD1-CB 4.36Å
1110N84.7Confident87.5Confident150 Ų15076.4 Ų76.480%0.80241%0.41SS*.  trans-81.3-21.7179.7-65.4-42.4000113.3L1108L1108-N1110 PolarHBondContact O-N 2.8Å
1111S85.1Confident87.5Confident61 Ų6176.4 Ų76.443%0.42742%0.419SS..SBendtrans-86.2145.2173.8-169.90000110.9D1113 Q1128S1111-D1113 VanDerWaalsContact C-N 3.26Å; S1111-D1113 VanDerWaalsContact OG-CG 3.22Å; S1111-D1113 PolarHBondContact OG-N 3.12Å; S1111-D1113 PolarHBondContact OG-OD2 2.99Å; S1111-Q1128 PolarHBondContact O-NE2 3.48Å
1112L87.6Confident87.6Confident49 Ų4973.9 Ų73.926%0.25740%0.396SS..  trans-888.2172.7-58.6-178.3000112.8N1130 F1166 R1168L1112-N1130 HydrophobicContact CD1-CB 4.47Å; L1112-N1130 HydrophobicContact CD2-CB 3.53Å; L1112-F1166 HydrophobicContact CD1-CD2 4.41Å; L1112-R1168 HydrophobicContact CB-CB 4.21Å; L1112-R1168 HydrophobicContact CD1-CB 4.39Å
1113D85.1Confident87.7Confident83 Ų8376.1 Ų76.144%0.44442%0.418SS..SBendtrans-63.7144.4173.7-62.2-44.1000110.6S1111 Q1128 R1168S1111-D1113 VanDerWaalsContact C-N 3.26Å; S1111-D1113 VanDerWaalsContact OG-CG 3.22Å; S1111-D1113 PolarHBondContact OG-N 3.12Å; S1111-D1113 PolarHBondContact OG-OD2 2.99Å; D1113-Q1128 PolarHBondContact O-NE2 2.95Å; D1113-R1168 IonicContact OD1-CZ 3.4Å; D1113-R1168 IonicContact OD1-NH1 2.68Å; D1113-R1168 PolarHBondContact OD1-NH1 3.24Å
1114P83.6Confident87.9Confident85 Ų8579.9 Ų79.955%0.55244%0.438SS*.PPolyproline II helixtrans-53.5131.7173.1-24.833.6000110.2S1116P1114-S1116 PolarHBondContact O-N 3.28Å
1115P88.1Confident88.2Confident13 Ų1376.3 Ų76.38%0.08441%0.412CS..PPolyproline II helixtrans-58.9137177.5-1725.4000110.6F1069 L1109 I1119F1069-P1115 HydrophobicContact CB-CG 4.47Å; F1069-P1115 HydrophobicContact CD1-CB 4.43Å; F1069-P1115 HydrophobicContact CD1-CG 3.82Å; F1069-P1115 HydrophobicContact CD2-CB 4.3Å; F1069-P1115 HydrophobicContact CD2-CG 3.38Å; F1069-P1115 HydrophobicContact CE1-CG 3.82Å; F1069-P1115 HydrophobicContact CE2-CG 3.35Å; F1069-P1115 HydrophobicContact CG-CB 4.18Å; F1069-P1115 HydrophobicContact CG-CG 3.62Å; F1069-P1115 HydrophobicContact CZ-CG 3.59Å; L1109-P1115 HydrophobicContact CD1-CG 4.42Å; P1115-I1119 HydrophobicContact CB-CB 4.29Å; P1115-I1119 HydrophobicContact CB-CD1 4.46Å; P1115-I1119 HydrophobicContact CB-CG2 4.14Å
1116S86.3Confident88.7Confident56 Ų5668.2 Ų68.239%0.39238%0.382SS..PPolyproline II helixtrans-63.2156.5174.558.30000111.4P1114 E1118 I1119 K1120P1114-S1116 PolarHBondContact O-N 3.28Å; S1116-E1118 PolarHBondContact O-N 2.89Å; S1116-I1119 WeakPolarHBondContact O-CB 3.36Å; S1116-I1119 PolarHBondContact O-N 3.33Å; S1116-I1119 WeakPolarHBondContact OG-CG1 3.2Å; S1116-K1120 PolarHBondContact O-N 3.36Å
1117D86.4Confident88.9Confident122 Ų12268 Ų6865%0.65238%0.38SS*.Hα-helixtrans-62.8-25.1178.1-64.9-36.4000112.4K1120 S1121D1117-K1120 PolarHBondContact O-N 3.11Å; D1117-K1120 IonicContact OD1-NZ 3.49Å; D1117-S1121 WeakPolarHBondContact O-CB 3.4Å; D1117-S1121 PolarHBondContact O-N 3.43Å; D1117-S1121 VanDerWaalsContact O-N 3.08Å; D1117-S1121 PolarHBondContact O-OG 3.49Å
1118E88.4Confident89Confident159 Ų15963.7 Ų63.774%0.74336%0.357SS*.Hα-helixtrans-61.7-42.3170.8-63.9177.817700112.1S1116 S1121 S1122S1116-E1118 PolarHBondContact O-N 2.89Å; E1118-S1121 PolarHBondContact O-OG 2.75Å; E1118-S1122 WeakPolarHBondContact O-CB 3.41Å; E1118-S1122 PolarHBondContact O-N 2.9Å; E1118-S1122 VanDerWaalsContact O-N 3.09Å
1119I89.8Confident89.2Confident33 Ų3362 Ų6217%0.16935%0.348CS..Hα-helixtrans-67.3-45.8177.5-68.3171.6000110.1F1069 L1109 P1115 S1116 S1121 S1122 Y1126F1069-I1119 HydrophobicContact CB-CG2 4.09Å; L1109-I1119 HydrophobicContact CD2-CD1 4.42Å; P1115-I1119 HydrophobicContact CB-CB 4.29Å; P1115-I1119 HydrophobicContact CB-CD1 4.46Å; P1115-I1119 HydrophobicContact CB-CG2 4.14Å; S1116-I1119 WeakPolarHBondContact O-CB 3.36Å; S1116-I1119 PolarHBondContact O-N 3.33Å; S1116-I1119 WeakPolarHBondContact OG-CG1 3.2Å; I1119-S1121 VanDerWaalsContact C-N 3.26Å; I1119-S1121 PolarHBondContact O-N 3.48Å; I1119-S1122 WeakPolarHBondContact O-CB 3.37Å; I1119-S1122 PolarHBondContact O-N 3.5Å; I1119-S1122 PolarHBondContact O-OG 3.46Å; I1119-Y1126 HydrophobicContact CG2-CD1 4.23Å; I1119-Y1126 HydrophobicContact CG2-CD2 3.56Å; I1119-Y1126 HydrophobicContact CG2-CE2 4.07Å; I1119-Y1126 HydrophobicContact CG2-CG 3.65Å
1120K89.9Confident89.5Confident74 Ų7460.6 Ų60.632%0.32234%0.34SS..Hα-helixtrans-63.6-31.1-177.9-66.7178.9-174.2166.50113.4F1069 N1079 S1116 D1117F1069-K1120 HydrophobicContact CD1-CG 4.45Å; N1079-K1120 PolarHBondContact ND2-O 3.02Å; N1079-K1120 WeakPolarHBondContact OD1-CA 3.38Å; N1079-K1120 PolarHBondContact OD1-O 2.98Å; S1116-K1120 PolarHBondContact O-N 3.36Å; D1117-K1120 PolarHBondContact O-N 3.11Å; D1117-K1120 IonicContact OD1-NZ 3.49Å
1121S88.3Confident90.1Very high79 Ų7957 Ų5755%0.55232%0.318SS*.Hα-helixtrans-93.4-8.2179.758.10000113.9L1071 D1117 E1118 I1119L1071-S1121 WeakPolarHBondContact CD1-O 3.38Å; D1117-S1121 WeakPolarHBondContact O-CB 3.4Å; D1117-S1121 PolarHBondContact O-N 3.43Å; D1117-S1121 VanDerWaalsContact O-N 3.08Å; D1117-S1121 PolarHBondContact O-OG 3.49Å; E1118-S1121 PolarHBondContact O-OG 2.75Å; I1119-S1121 VanDerWaalsContact C-N 3.26Å; I1119-S1121 PolarHBondContact O-N 3.48Å
1122S89.7Confident90.6Very high23 Ų2354.1 Ų54.116%0.16130%0.298CS..SBendtrans-66.4153.7177.973.30000112.8L1071 E1118 I1119 D1124 Y1126L1071-S1122 WeakPolarHBondContact CB-O 3.39Å; L1071-S1122 PolarHBondContact N-O 3.08Å; E1118-S1122 WeakPolarHBondContact O-CB 3.41Å; E1118-S1122 PolarHBondContact O-N 2.9Å; E1118-S1122 VanDerWaalsContact O-N 3.09Å; I1119-S1122 WeakPolarHBondContact O-CB 3.37Å; I1119-S1122 PolarHBondContact O-N 3.5Å; I1119-S1122 PolarHBondContact O-OG 3.46Å; S1122-D1124 PolarHBondContact O-N 3.19Å; S1122-Y1126 VanDerWaalsContact OG-CE2 3.24Å; S1122-Y1126 WeakPolarHBondContact OG-CE2 3.37Å
1123S87.9Confident90.8Very high96 Ų9655.7 Ų55.767%0.67131%0.306SS*.SBendtrans-77.8-6.9172.854.20000113.9G1072G1072-S1123 VanDerWaalsContact CA-O 3.28Å; G1072-S1123 WeakPolarHBondContact CA-O 3.4Å; G1072-S1123 PolarHBondContact N-O 3.46Å
1124D91.2Very high91.1Very high86 Ų8653.1 Ų53.146%0.4629%0.294SS..SBendtrans-84.7177.8-178.6-63.4-36.2000111.2G1072 S1122 Y1126G1072-D1124 PolarHBondContact N-O 3.28Å; S1122-D1124 PolarHBondContact O-N 3.19Å; D1124-Y1126 HydrophobicContact CB-CD2 4.4Å; D1124-Y1126 HydrophobicContact CB-CE2 3.62Å
1125Q91.9Very high91.2Very high34 Ų3451.5 Ų51.516%0.15928%0.281CS..  trans-113.9128178.3-69.2178.1-6.300109.6G1072 F1073 A1106 N1107G1072-Q1125 PolarHBondContact O-NE2 2.91Å; F1073-Q1125 HydrophobicContact CD1-CG 4.1Å; F1073-Q1125 HydrophobicContact CD2-CB 4.28Å; F1073-Q1125 HydrophobicContact CD2-CG 4.15Å; F1073-Q1125 HydrophobicContact CE1-CB 4.08Å; F1073-Q1125 HydrophobicContact CE1-CG 4.06Å; F1073-Q1125 HydrophobicContact CE2-CB 3.77Å; F1073-Q1125 HydrophobicContact CE2-CG 4.13Å; F1073-Q1125 HydrophobicContact CG-CG 4.14Å; F1073-Q1125 HydrophobicContact CZ-CB 3.66Å; F1073-Q1125 HydrophobicContact CZ-CG 4.08Å; A1106-Q1125 CarbonylContact C-O 3.53Å; A1106-Q1125 VanDerWaalsContact CA-O 3.26Å; A1106-Q1125 WeakPolarHBondContact CA-O 3.2Å; A1106-Q1125 HydrophobicContact CB-CB 3.76Å; N1107-Q1125 PolarHBondContact N-O 2.6Å
1126Y94.6Very high90.3Very high43 Ų4354.7 Ų54.717%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-127.6132.6177.1-62.7-94.2000111F1069 F1073 N1107 L1109 I1119 S1122 D1124F1069-Y1126 PolarHBondContact N-O 3.39Å; F1069-Y1126 PolarHBondContact O-N 2.84Å; F1073-Y1126 WeakPolarHBondContact CE2-O 3.41Å; N1107-Y1126 HydrophobicContact CB-CD1 3.83Å; N1107-Y1126 HydrophobicContact CB-CE1 4.04Å; N1107-Y1126 WeakPolarHBondContact O-CA 3.41Å; L1109-Y1126 HydrophobicContact CD2-CD1 3.96Å; L1109-Y1126 HydrophobicContact CG-CD1 4.44Å; I1119-Y1126 HydrophobicContact CG2-CD1 4.23Å; I1119-Y1126 HydrophobicContact CG2-CD2 3.56Å; I1119-Y1126 HydrophobicContact CG2-CE2 4.07Å; I1119-Y1126 HydrophobicContact CG2-CG 3.65Å; S1122-Y1126 VanDerWaalsContact OG-CE2 3.24Å; S1122-Y1126 WeakPolarHBondContact OG-CE2 3.37Å; D1124-Y1126 HydrophobicContact CB-CD2 4.4Å; D1124-Y1126 HydrophobicContact CB-CE2 3.62Å
1127L94.8Very high89.2Confident0 Ų054.8 Ų54.80%030%0.299CS..EExtended strand (participates in β ladder)trans-110.5134175.9-72.7172000110.1V1066 G1067 F1068 F1073 I1099 F1103 A1106 N1107 L1108 L1109 I1129V1066-L1127 HydrophobicContact CG1-CD2 4.11Å; G1067-L1127 WeakPolarHBondContact O-CA 3.49Å; F1068-L1127 HydrophobicContact CD1-CD2 3.5Å; F1068-L1127 VanDerWaalsContact CD1-CD2 3.5Å; F1068-L1127 HydrophobicContact CE1-CD2 3.61Å; F1068-L1127 HydrophobicContact CG-CD2 4.31Å; F1068-L1127 HydrophobicContact CZ-CD2 4.5Å; F1073-L1127 HydrophobicContact CE1-CD2 4.48Å; F1073-L1127 HydrophobicContact CZ-CD2 3.9Å; F1073-L1127 HydrophobicContact CZ-CG 4.17Å; I1099-L1127 HydrophobicContact CG2-CD1 4.06Å; I1099-L1127 HydrophobicContact CG2-CD2 4.41Å; F1103-L1127 HydrophobicContact CB-CD1 4.23Å; A1106-L1127 HydrophobicContact CB-CD1 3.7Å; A1106-L1127 HydrophobicContact CB-CG 3.69Å; N1107-L1127 PolarHBondContact O-N 3.33Å; L1108-L1127 CarbonylContact C-O 3.59Å; L1108-L1127 WeakPolarHBondContact CA-O 3.39Å; L1108-L1127 HydrophobicContact CD1-CB 4.14Å; L1109-L1127 WeakPolarHBondContact CB-O 3.36Å; L1109-L1127 PolarHBondContact N-O 3.12Å; L1127-I1129 HydrophobicContact CB-CG1 4.44Å
1128Q94.9Very high88Confident1 Ų155.9 Ų55.91%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-119.2118.5166.7-170.2179.763.100108.5V1066 G1067 F1069 L1109 S1111 D1113V1066-Q1128 WeakPolarHBondContact CA-O 3.03Å; G1067-Q1128 PolarHBondContact N-O 3.15Å; G1067-Q1128 PolarHBondContact O-N 3.09Å; F1069-Q1128 HydrophobicContact CD2-CB 4.35Å; F1069-Q1128 HydrophobicContact CE2-CB 3.9Å; L1109-Q1128 HydrophobicContact CB-CB 4.3Å; L1109-Q1128 HydrophobicContact CB-CG 4.43Å; L1109-Q1128 HydrophobicContact CD1-CB 4.36Å; S1111-Q1128 PolarHBondContact O-NE2 3.48Å; D1113-Q1128 PolarHBondContact O-NE2 2.95Å
1129I96Very high86.6Confident17 Ų1755.9 Ų55.99%0.08730%0.3CS..EExtended strand (participates in β ladder)trans-126.6126-173.5-52.9179000110.3R1065 V1066 L1092 F1095 A1096 I1099 L1108 L1127R1065-I1129 WeakPolarHBondContact O-CA 3.36Å; V1066-I1129 HydrophobicContact CG1-CG1 4.27Å; V1066-I1129 HydrophobicContact CG2-CG1 4.35Å; V1066-I1129 HydrophobicContact CG2-CG2 4.35Å; L1092-I1129 HydrophobicContact CD1-CG2 4.01Å; F1095-I1129 HydrophobicContact CD1-CG2 3.77Å; F1095-I1129 HydrophobicContact CE1-CG2 3.76Å; A1096-I1129 HydrophobicContact CB-CD1 4.24Å; A1096-I1129 HydrophobicContact CB-CG2 4.35Å; I1099-I1129 HydrophobicContact CB-CD1 3.88Å; I1099-I1129 HydrophobicContact CG2-CD1 3.84Å; L1108-I1129 HydrophobicContact CD1-CB 4.3Å; L1108-I1129 HydrophobicContact CD1-CD1 3.97Å; L1108-I1129 HydrophobicContact CD1-CG1 3.95Å; L1127-I1129 HydrophobicContact CB-CG1 4.44Å
1130N95.6Very high85.2Confident8 Ų855.7 Ų55.74%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-146.5152.817669.1-87.4000112.6F1064 R1065 L1112 F1166F1064-N1130 CarbonylContact C-O 3.59Å; F1064-N1130 WeakPolarHBondContact CA-O 3.27Å; R1065-N1130 WeakPolarHBondContact CD-OD1 3.4Å; R1065-N1130 PolarHBondContact N-O 2.98Å; R1065-N1130 PolarHBondContact NH1-OD1 2.84Å; R1065-N1130 PolarHBondContact O-N 3.39Å; L1112-N1130 HydrophobicContact CD1-CB 4.47Å; L1112-N1130 HydrophobicContact CD2-CB 3.53Å; N1130-F1166 WeakPolarHBondContact ND2-CD2 3.44Å; N1130-F1166 VanDerWaalsContact ND2-CG 3.26Å; N1130-F1166 WeakPolarHBondContact ND2-CG 3.44Å
1131K96Very high83.9Confident74 Ų7459.4 Ų59.432%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-67.2141.7170.1-177.4178.6172.3177.90109.8E1062 Y1063 F1064 D1133E1062-K1131 WeakPolarHBondContact OE1-CE 3.15Å; E1062-K1131 IonicContact OE1-NZ 3.93Å; E1062-K1131 PolarHBondContact OE1-NZ 3.4Å; Y1063-K1131 WeakPolarHBondContact O-CA 3.4Å; F1064-K1131 HydrophobicContact CD1-CB 4.25Å; F1064-K1131 HydrophobicContact CE1-CB 4.28Å; F1064-K1131 HydrophobicContact CE1-CG 4.46Å; K1131-D1133 WeakPolarHBondContact CE-OD1 3.47Å; K1131-D1133 IonicContact NZ-OD1 3.75Å
1132V96Very high82.7Confident1 Ų157.8 Ų57.81%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-125.7145.4170.1-59.30000109.4Y1063 R1065 V1083 F1164 S1165 F1166 L1200Y1063-V1132 PolarHBondContact O-N 3.19Å; R1065-V1132 HydrophobicContact CB-CG1 3.56Å; V1083-V1132 HydrophobicContact CG1-CG2 4.03Å; V1132-F1164 HydrophobicContact CB-CB 4.02Å; V1132-F1164 HydrophobicContact CG2-CB 3.79Å; V1132-F1164 HydrophobicContact CG2-CD1 3.94Å; V1132-F1164 HydrophobicContact CG2-CG 4.05Å; V1132-S1165 WeakPolarHBondContact CA-O 3.49Å; V1132-F1166 HydrophobicContact CG1-CB 4.11Å; V1132-F1166 HydrophobicContact CG1-CD1 3.78Å; V1132-F1166 HydrophobicContact CG1-CG 4.26Å; V1132-L1200 HydrophobicContact CG1-CD1 4.01Å
1133D92.3Very high81.5Confident82 Ų8258.6 Ų58.644%0.43931%0.312SS..EExtended strand (participates in β ladder)trans-101.8134.2178.2-64.7-49.7000109.8K1131 F1164 S1165K1131-D1133 WeakPolarHBondContact CE-OD1 3.47Å; K1131-D1133 IonicContact NZ-OD1 3.75Å; D1133-F1164 CarbonylContact O-C 3.48Å; D1133-F1164 WeakPolarHBondContact O-CA 3.49Å; D1133-S1165 PolarHBondContact N-O 2.82Å; D1133-S1165 PolarHBondContact O-N 2.86Å
1134P91.6Very high80.1Confident29 Ų2957.2 Ų57.219%0.18830%0.302CS..EExtended strand (participates in β ladder)trans-64138.2176.626.5-32.9000110.7Y1063 K1157 V1161 F1164Y1063-P1134 HydrophobicContact CD2-CG 4.47Å; P1134-K1157 WeakPolarHBondContact CG-O 3.48Å; P1134-V1161 HydrophobicContact CB-CB 4.1Å; P1134-V1161 HydrophobicContact CB-CG1 3.91Å; P1134-V1161 HydrophobicContact CB-CG2 4.11Å; P1134-F1164 HydrophobicContact CB-CD1 4.19Å; P1134-F1164 HydrophobicContact CB-CE1 4.11Å
1135L85Confident78.7Confident52 Ų5256.1 Ų56.127%0.27231%0.311SS..PPolyproline II helixtrans-93.8129.9176.1-72.1176.8000110.4D1137 K1163 S1165 I1199L1135-D1137 PolarHBondContact O-N 2.91Å; L1135-K1163 HydrophobicContact CB-CB 3.94Å; L1135-K1163 HydrophobicContact CD1-CB 4.24Å; L1135-K1163 PolarHBondContact N-O 2.76Å; L1135-S1165 WeakPolarHBondContact CD2-OG 3.3Å; L1135-I1199 HydrophobicContact CD1-CB 4.46Å; L1135-I1199 HydrophobicContact CD1-CG1 4.16Å; L1135-I1199 HydrophobicContact CD1-CG2 3.72Å
1136C69.8Low77.8Confident80 Ų8065.2 Ų65.254%0.54134%0.344SS..PPolyproline II helixtrans-70.1124.5175.1-63.30000111.2M1140C1136-M1140 HydrophobicContact CB-CB 4.26Å; C1136-M1140 HydrophobicContact CB-SD 3.96Å; C1136-M1140 PolarHBondContact SG-SD 2.87Å
1137D62.9Low76.6Confident58 Ų5865.7 Ų65.731%0.3135%0.349SS..PPolyproline II helixtrans-74.4162.5167.1-78.7-42.6000111.8L1135 Q1139 M1140 K1163L1135-D1137 PolarHBondContact O-N 2.91Å; D1137-Q1139 PolarHBondContact O-N 2.91Å; D1137-M1140 PolarHBondContact O-N 3.22Å; D1137-K1163 IonicContact OD1-NZ 3.57Å; D1137-K1163 PolarHBondContact OD1-NZ 2.85Å
1138E60.7Low75.4Confident145 Ų14574.7 Ų74.768%0.67839%0.388SS*.Hα-helixtrans-49.4-30.9177.9-79.3-82.1122.900113.2M1140 K1141E1138-M1140 VanDerWaalsContact C-N 3.27Å; E1138-M1140 PolarHBondContact O-N 3.02Å; E1138-K1141 PolarHBondContact O-N 2.88Å; E1138-K1141 IonicContact OE1-NZ 3.43Å; E1138-K1141 PolarHBondContact OE1-NZ 2.77Å
1139Q59.7Low74.3Confident158 Ų15876.9 Ų76.974%0.73840%0.4SS*.Hα-helixtrans-59.1-34.5177.8-67.2-175.4-18.300113D1137 K1141 G1142 I1143D1137-Q1139 PolarHBondContact O-N 2.91Å; Q1139-K1141 PolarHBondContact O-N 3.29Å; Q1139-G1142 PolarHBondContact O-N 3.23Å; Q1139-I1143 PolarHBondContact O-N 3.46Å
1140M61.3Low73.1Confident30 Ų3080.2 Ų80.215%0.14842%0.423CS..Hα-helixtrans-72.5-29-177.8-166.5175.4-18000112.9C1136 D1137 E1138 G1142 I1143 S1144 L1153 K1157C1136-M1140 HydrophobicContact CB-CB 4.26Å; C1136-M1140 HydrophobicContact CB-SD 3.96Å; C1136-M1140 PolarHBondContact SG-SD 2.87Å; D1137-M1140 PolarHBondContact O-N 3.22Å; E1138-M1140 VanDerWaalsContact C-N 3.27Å; E1138-M1140 PolarHBondContact O-N 3.02Å; M1140-G1142 PolarHBondContact O-N 2.93Å; M1140-I1143 PolarHBondContact O-N 3.5Å; M1140-I1143 VanDerWaalsContact O-N 3.11Å; M1140-S1144 PolarHBondContact O-N 3.14Å; M1140-L1153 WeakPolarHBondContact CE-O 3.48Å; M1140-K1157 HydrophobicContact CE-CB 3.68Å; M1140-K1157 HydrophobicContact CE-CG 4.19Å; M1140-K1157 HydrophobicContact SD-CB 4.47Å
1141K61.3Low72.1Confident152 Ų15282.3 Ų82.366%0.66143%0.433SS*.Hα-helixtrans-58.8-35.3174.4-69178.7-177.7166.40111.1E1138 Q1139E1138-K1141 PolarHBondContact O-N 2.88Å; E1138-K1141 IonicContact OE1-NZ 3.43Å; E1138-K1141 PolarHBondContact OE1-NZ 2.77Å; Q1139-K1141 PolarHBondContact O-N 3.29Å
1142G63.3Low71.3Confident44 Ų4481.1 Ų81.145%0.45443%0.429SS..Hα-helixtrans-70.9-38.9174.500000113.6Q1139 M1140Q1139-G1142 PolarHBondContact O-N 3.23Å; M1140-G1142 PolarHBondContact O-N 2.93Å
1143I65.5Low70.3Confident40 Ų4082.8 Ų82.821%0.20544%0.438CS..Hα-helixtrans-69-47180-60.9172.2000110.7Q1139 M1140 G1145 R1146 I1147 L1153 H1156Q1139-I1143 PolarHBondContact O-N 3.46Å; M1140-I1143 PolarHBondContact O-N 3.5Å; M1140-I1143 VanDerWaalsContact O-N 3.11Å; I1143-G1145 PolarHBondContact O-N 3.3Å; I1143-G1145 VanDerWaalsContact O-N 3.14Å; I1143-R1146 PolarHBondContact O-N 3.29Å; I1143-I1147 HydrophobicContact CG2-CB 4.33Å; I1143-I1147 HydrophobicContact CG2-CD1 3.85Å; I1143-I1147 HydrophobicContact CG2-CG1 4.22Å; I1143-I1147 PolarHBondContact O-N 3.43Å; I1143-L1153 HydrophobicContact CG2-CD2 4.34Å; I1143-H1156 HydrophobicContact CD1-CB 4.45Å
1144S58.1Low69.6Low67 Ų6780.5 Ų80.547%0.46942%0.423SS..Hα-helixtrans-63.5-21.4-176.7-168.20000114M1140M1140-S1144 PolarHBondContact O-N 3.14Å
1145G62.2Low69.1Low63 Ų6379.4 Ų79.465%0.64942%0.415SS*.Hα-helixtrans-79.9-28.1173.400000113.9I1143I1143-G1145 PolarHBondContact O-N 3.3Å; I1143-G1145 VanDerWaalsContact O-N 3.14Å
1146R72.3Confident68.8Low225 Ų22579.6 Ų79.685%0.84942%0.415SS*.Hα-helixtrans-96.6-39.8-175.7-66.2-177.3-177.1-179.51.8112.9I1143I1143-R1146 PolarHBondContact O-N 3.29Å
1147I68.9Low69.4Low54 Ų5481 Ų8128%0.27741%0.411SS..  trans-104.2124.6-175.5-55.3-174.7000108.3I1143 D1149 I1152 L1153I1143-I1147 HydrophobicContact CG2-CB 4.33Å; I1143-I1147 HydrophobicContact CG2-CD1 3.85Å; I1143-I1147 HydrophobicContact CG2-CG1 4.22Å; I1143-I1147 PolarHBondContact O-N 3.43Å; I1147-D1149 HydrophobicContact CG2-CB 4.28Å; I1147-I1152 HydrophobicContact CD1-CG2 3.9Å; I1147-I1152 HydrophobicContact CG2-CB 3.88Å; I1147-I1152 HydrophobicContact CG2-CD1 4.15Å; I1147-I1152 HydrophobicContact CG2-CG2 3.85Å; I1147-L1153 HydrophobicContact CB-CD2 4.48Å
1148K69.3Low70.3Confident188 Ų18878.7 Ų78.782%0.81740%0.4SS*.  trans-107.7-3.5176.6-63.4-171.3178.5-1750113.4
1149D73.7Confident71.5Confident48 Ų4871.9 Ų71.926%0.25737%0.368SS..  trans-70.7124.3178.5-172.2-78.7000110.5L1054 I1147 H1151 I1152 L1153L1054-D1149 WeakPolarHBondContact CD2-OD2 3.4Å; I1147-D1149 HydrophobicContact CG2-CB 4.28Å; D1149-H1151 VanDerWaalsContact C-N 3.32Å; D1149-H1151 PolarHBondContact O-N 2.9Å; D1149-H1151 WeakPolarHBondContact OD1-CB 3.33Å; D1149-H1151 IonicContact OD1-CG 2.75Å; D1149-H1151 PolarHBondContact OD1-N 2.89Å; D1149-H1151 IonicContact OD1-ND1 2.77Å; D1149-I1152 HydrophobicContact CB-CB 4.37Å; D1149-I1152 HydrophobicContact CB-CD1 3.96Å; D1149-I1152 HydrophobicContact CB-CG1 4.11Å; D1149-I1152 PolarHBondContact O-N 3.14Å; D1149-I1152 PolarHBondContact OD1-N 3.36Å; D1149-L1153 WeakPolarHBondContact O-CG 3.32Å; D1149-L1153 PolarHBondContact O-N 3.08Å; D1149-L1153 VanDerWaalsContact O-N 3.13Å
1150P69Low72.7Confident87 Ų8768.2 Ų68.257%0.56535%0.351SS*.Hα-helixtrans-66.7-30.4-174.325.7-33.9000113.3W1154P1150-W1154 VanDerWaalsContact O-CB 3.28Å; P1150-W1154 WeakPolarHBondContact O-CB 3.3Å; P1150-W1154 PolarHBondContact O-N 2.99Å
1151H75.9Confident74.1Confident52 Ų5267.2 Ų67.224%0.24135%0.346CS..Hα-helixtrans-73.5-36.3-179.5-56.9122000111.7I1053 L1054 D1149 Y1155I1053-H1151 WeakPolarHBondContact O-CB 3.49Å; L1054-H1151 PolarHBondContact O-CE1 3.35Å; L1054-H1151 PolarHBondContact O-ND1 3.15Å; D1149-H1151 VanDerWaalsContact C-N 3.32Å; D1149-H1151 PolarHBondContact O-N 2.9Å; D1149-H1151 WeakPolarHBondContact OD1-CB 3.33Å; D1149-H1151 IonicContact OD1-CG 2.75Å; D1149-H1151 PolarHBondContact OD1-N 2.89Å; D1149-H1151 IonicContact OD1-ND1 2.77Å; H1151-Y1155 PolarHBondContact O-N 3.44Å
1152I78.1Confident75.6Confident48 Ų4862.9 Ų62.925%0.24633%0.329CS..Hα-helixtrans-72.6-41.5177.2-57176.4000110.7I1053 I1147 D1149 W1154 Y1155 H1156I1053-I1152 HydrophobicContact CG2-CG1 4.22Å; I1147-I1152 HydrophobicContact CD1-CG2 3.9Å; I1147-I1152 HydrophobicContact CG2-CB 3.88Å; I1147-I1152 HydrophobicContact CG2-CD1 4.15Å; I1147-I1152 HydrophobicContact CG2-CG2 3.85Å; D1149-I1152 HydrophobicContact CB-CB 4.37Å; D1149-I1152 HydrophobicContact CB-CD1 3.96Å; D1149-I1152 HydrophobicContact CB-CG1 4.11Å; D1149-I1152 PolarHBondContact O-N 3.14Å; D1149-I1152 PolarHBondContact OD1-N 3.36Å; I1152-W1154 VanDerWaalsContact C-N 3.28Å; I1152-W1154 PolarHBondContact O-N 3.45Å; I1152-Y1155 PolarHBondContact O-N 3.44Å; I1152-H1156 PolarHBondContact O-N 3.15Å
1153L76.7Confident77Confident37 Ų3764.6 Ų64.619%0.19432%0.324CS..Hα-helixtrans-63.5-37.1175.6-69.5174.2000112.1M1140 I1143 I1147 D1149 K1157M1140-L1153 WeakPolarHBondContact CE-O 3.48Å; I1143-L1153 HydrophobicContact CG2-CD2 4.34Å; I1147-L1153 HydrophobicContact CB-CD2 4.48Å; D1149-L1153 WeakPolarHBondContact O-CG 3.32Å; D1149-L1153 PolarHBondContact O-N 3.08Å; D1149-L1153 VanDerWaalsContact O-N 3.13Å; L1153-K1157 WeakPolarHBondContact O-CB 3.4Å; L1153-K1157 PolarHBondContact O-N 2.81Å; L1153-K1157 VanDerWaalsContact O-N 3.14Å
1154W77.2Confident78.5Confident34 Ų3462.7 Ų62.713%0.12931%0.314CS..Hα-helixtrans-59.4-45.5173.716783.3000112.2R1058 A1059 E1060 P1150 I1152 H1156 K1157 C1158R1058-W1154 HydrophobicContact CB-CH2 3.76Å; R1058-W1154 HydrophobicContact CB-CZ2 4.24Å; R1058-W1154 HydrophobicContact CB-CZ3 4.15Å; R1058-W1154 VanDerWaalsContact CZ-CZ3 3.41Å; A1059-W1154 WeakPolarHBondContact O-CZ2 3.42Å; E1060-W1154 VanDerWaalsContact CG-NE1 3.28Å; E1060-W1154 VanDerWaalsContact OE1-CD1 3.25Å; P1150-W1154 VanDerWaalsContact O-CB 3.28Å; P1150-W1154 WeakPolarHBondContact O-CB 3.3Å; P1150-W1154 PolarHBondContact O-N 2.99Å; I1152-W1154 VanDerWaalsContact C-N 3.28Å; I1152-W1154 PolarHBondContact O-N 3.45Å; W1154-H1156 PolarHBondContact O-N 3.03Å; W1154-K1157 WeakPolarHBondContact O-CB 3.5Å; W1154-K1157 PolarHBondContact O-N 3.46Å; W1154-K1157 VanDerWaalsContact O-N 3.09Å; W1154-C1158 PolarHBondContact O-N 3.12Å; W1154-C1158 VanDerWaalsContact O-N 3.13Å
1155Y81.2Confident80.2Confident6 Ų660 Ų602%0.02430%0.295CS..Hα-helixtrans-54.7-52.6-179.2172.3-96.6000111.7L1037 E1039 H1151 I1152 K1157 C1158 N1159L1037-Y1155 HydrophobicContact CD1-CD2 4.29Å; L1037-Y1155 HydrophobicContact CD1-CE2 3.73Å; L1037-Y1155 HydrophobicContact CG-CE2 4.19Å; E1039-Y1155 HydrophobicContact CB-CD1 4.17Å; E1039-Y1155 HydrophobicContact CB-CD2 3.88Å; E1039-Y1155 HydrophobicContact CB-CE1 3.83Å; E1039-Y1155 HydrophobicContact CB-CE2 3.49Å; E1039-Y1155 VanDerWaalsContact CB-CE2 3.49Å; E1039-Y1155 HydrophobicContact CB-CG 4.19Å; E1039-Y1155 VanDerWaalsContact CB-CZ 3.46Å; E1039-Y1155 HydrophobicContact CG-CD1 3.83Å; E1039-Y1155 HydrophobicContact CG-CD2 3.57Å; E1039-Y1155 HydrophobicContact CG-CE1 4.04Å; E1039-Y1155 HydrophobicContact CG-CE2 3.77Å; E1039-Y1155 HydrophobicContact CG-CG 3.59Å; E1039-Y1155 VanDerWaalsContact OE2-CD2 3.23Å; E1039-Y1155 WeakPolarHBondContact OE2-CD2 3.22Å; H1151-Y1155 PolarHBondContact O-N 3.44Å; I1152-Y1155 PolarHBondContact O-N 3.44Å; Y1155-K1157 VanDerWaalsContact C-N 3.26Å; Y1155-K1157 PolarHBondContact O-N 3.34Å; Y1155-C1158 PolarHBondContact O-N 3.41Å; Y1155-N1159 HydrophobicContact CD2-CB 4.22Å; Y1155-N1159 HydrophobicContact CE2-CB 3.95Å; Y1155-N1159 WeakPolarHBondContact O-CB 3.35Å; Y1155-N1159 PolarHBondContact O-N 3Å; Y1155-N1159 PolarHBondContact O-ND2 3.34Å; Y1155-N1159 VanDerWaalsContact O-ND2 3.08Å
1156H78.9Confident81.8Confident56 Ų5657.7 Ų57.726%0.25927%0.267SS..Hα-helixtrans-72-18.3-179.4-71.5-71.1000113.8I1143 I1152 W1154I1143-H1156 HydrophobicContact CD1-CB 4.45Å; I1152-H1156 PolarHBondContact O-N 3.15Å; W1154-H1156 PolarHBondContact O-N 3.03Å
1157K80.7Confident82.7Confident108 Ų10849 Ų4947%0.4724%0.241SC..Hα-helixtrans-73.4-37.8173.9-167.3-176.4173.9-169.70111.7P1134 M1140 L1153 W1154 Y1155P1134-K1157 WeakPolarHBondContact CG-O 3.48Å; M1140-K1157 HydrophobicContact CE-CB 3.68Å; M1140-K1157 HydrophobicContact CE-CG 4.19Å; M1140-K1157 HydrophobicContact SD-CB 4.47Å; L1153-K1157 WeakPolarHBondContact O-CB 3.4Å; L1153-K1157 PolarHBondContact O-N 2.81Å; L1153-K1157 VanDerWaalsContact O-N 3.14Å; W1154-K1157 WeakPolarHBondContact O-CB 3.5Å; W1154-K1157 PolarHBondContact O-N 3.46Å; W1154-K1157 VanDerWaalsContact O-N 3.09Å; Y1155-K1157 VanDerWaalsContact C-N 3.26Å; Y1155-K1157 PolarHBondContact O-N 3.34Å
1158C82Confident83.6Confident10 Ų1048.2 Ų48.27%0.06824%0.235CC..Hα-helixtrans-109.2-14.3-169.4-670000113.6P1061 Y1063 W1154 Y1155P1061-C1158 HydrophobicContact CG-CB 4.39Å; Y1063-C1158 WeakPolarHBondContact CE2-O 3.43Å; Y1063-C1158 PolarHBondContact OH-O 3.39Å; W1154-C1158 PolarHBondContact O-N 3.12Å; W1154-C1158 VanDerWaalsContact O-N 3.13Å; Y1155-C1158 PolarHBondContact O-N 3.41Å
1159N86.4Confident84.4Confident2 Ų242.7 Ų42.71%0.01121%0.209CC..SBendtrans-127.2160.4-178.5-54.5-82.1000110.6R1085 Y1155 V1161R1085-N1159 PolarHBondContact NH2-OD1 3.19Å; Y1155-N1159 HydrophobicContact CD2-CB 4.22Å; Y1155-N1159 HydrophobicContact CE2-CB 3.95Å; Y1155-N1159 WeakPolarHBondContact O-CB 3.35Å; Y1155-N1159 PolarHBondContact O-N 3Å; Y1155-N1159 PolarHBondContact O-ND2 3.34Å; Y1155-N1159 VanDerWaalsContact O-ND2 3.08Å; N1159-V1161 VanDerWaalsContact C-N 3.28Å
1160E85.8Confident84.7Confident81 Ų8142.2 Ų42.238%0.37921%0.206SC..SBendtrans61.537.8-170.6-53.1-173.4147.600112.2K1040 L1205 F1206K1040-E1160 WeakPolarHBondContact CE-OE1 3.32Å; K1040-E1160 IonicContact NZ-OE1 3.67Å; K1040-E1160 PolarHBondContact NZ-OE1 3.42Å; E1160-L1205 WeakPolarHBondContact O-CD2 3.17Å; E1160-F1206 WeakPolarHBondContact CA-O 3.48Å; E1160-F1206 PolarHBondContact N-O 3.42Å
1161V89.6Confident84.8Confident9 Ų943 Ų436%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-110.6136.4-175.5-66.50000111.2Y1063 P1134 N1159 F1164 F1206Y1063-V1161 HydrophobicContact CE2-CG2 4.24Å; P1134-V1161 HydrophobicContact CB-CB 4.1Å; P1134-V1161 HydrophobicContact CB-CG1 3.91Å; P1134-V1161 HydrophobicContact CB-CG2 4.11Å; N1159-V1161 VanDerWaalsContact C-N 3.28Å; V1161-F1164 HydrophobicContact CB-CZ 4.4Å; V1161-F1164 HydrophobicContact CG2-CE1 3.91Å; V1161-F1164 HydrophobicContact CG2-CZ 3.8Å; V1161-F1206 HydrophobicContact CG2-CB 4.25Å; V1161-F1206 PolarHBondContact N-O 3.45Å; V1161-F1206 PolarHBondContact O-N 2.78Å
1162Q92.6Very high84.4Confident62 Ų6245.8 Ų45.829%0.2922%0.222SC..EExtended strand (participates in β ladder)trans-123.7-16.6176.4-170.8178.710.900112.5V1201 T1202 L1205Q1162-V1201 HydrophobicContact CG-CG1 4.06Å; Q1162-T1202 VanDerWaalsContact CG-O 3.31Å; Q1162-T1202 WeakPolarHBondContact CG-O 3.48Å; Q1162-T1202 PolarHBondContact NE2-O 3.07Å; Q1162-T1202 PolarHBondContact O-N 3.47Å; Q1162-T1202 VanDerWaalsContact O-N 3.09Å; Q1162-T1202 PolarHBondContact O-OG1 3.47Å; Q1162-L1205 HydrophobicContact CB-CD2 3.83Å; Q1162-L1205 HydrophobicContact CB-CG 4.41Å
1163K94Very high83.4Confident79 Ų7952.8 Ų52.834%0.34325%0.245SC..EExtended strand (participates in β ladder)trans-108.5135-178.6-64.5179.9-170.4148.80110.3L1135 D1137 L1200 V1201L1135-K1163 HydrophobicContact CB-CB 3.94Å; L1135-K1163 HydrophobicContact CD1-CB 4.24Å; L1135-K1163 PolarHBondContact N-O 2.76Å; D1137-K1163 IonicContact OD1-NZ 3.57Å; D1137-K1163 PolarHBondContact OD1-NZ 2.85Å; K1163-L1200 VanDerWaalsContact CA-O 3.32Å; K1163-L1200 WeakPolarHBondContact CA-O 3.4Å; K1163-V1201 HydrophobicContact CG-CG2 4.33Å
1164F95.7Very high82.2Confident0 Ų054.1 Ų54.10%025%0.252CS..EExtended strand (participates in β ladder)trans-133.5153-179-58.2-86.8000110Y1063 V1083 V1132 D1133 P1134 V1161 I1199 L1200 T1202 F1206Y1063-F1164 HydrophobicContact CD1-CD1 4.33Å; Y1063-F1164 AromaticContact CD1-CE1 3.42Å; Y1063-F1164 HydrophobicContact CD1-CE1 3.42Å; Y1063-F1164 VanDerWaalsContact CD1-CE1 3.42Å; Y1063-F1164 AromaticContact CD1-CZ 3.76Å; Y1063-F1164 HydrophobicContact CD1-CZ 3.76Å; Y1063-F1164 HydrophobicContact CD2-CD1 4.44Å; Y1063-F1164 AromaticContact CD2-CE1 3.78Å; Y1063-F1164 HydrophobicContact CD2-CE1 3.78Å; Y1063-F1164 AromaticContact CE1-CE1 3.81Å; Y1063-F1164 HydrophobicContact CE1-CE1 3.81Å; Y1063-F1164 AromaticContact CE1-CZ 3.88Å; Y1063-F1164 HydrophobicContact CE1-CZ 3.88Å; Y1063-F1164 HydrophobicContact CE2-CE1 4.15Å; Y1063-F1164 HydrophobicContact CG-CD1 4.01Å; Y1063-F1164 AromaticContact CG-CE1 3.4Å; Y1063-F1164 HydrophobicContact CG-CE1 3.4Å; Y1063-F1164 HydrophobicContact CG-CZ 4.22Å; V1083-F1164 HydrophobicContact CB-CD2 4.44Å; V1083-F1164 HydrophobicContact CG1-CD1 4.32Å; V1083-F1164 HydrophobicContact CG1-CD2 3.99Å; V1083-F1164 HydrophobicContact CG1-CE1 4.32Å; V1083-F1164 HydrophobicContact CG1-CE2 3.98Å; V1083-F1164 HydrophobicContact CG1-CG 4.16Å; V1083-F1164 HydrophobicContact CG1-CZ 4.14Å; V1083-F1164 HydrophobicContact CG2-CD2 4.13Å; V1132-F1164 HydrophobicContact CB-CB 4.02Å; V1132-F1164 HydrophobicContact CG2-CB 3.79Å; V1132-F1164 HydrophobicContact CG2-CD1 3.94Å; V1132-F1164 HydrophobicContact CG2-CG 4.05Å; D1133-F1164 CarbonylContact O-C 3.48Å; D1133-F1164 WeakPolarHBondContact O-CA 3.49Å; P1134-F1164 HydrophobicContact CB-CD1 4.19Å; P1134-F1164 HydrophobicContact CB-CE1 4.11Å; V1161-F1164 HydrophobicContact CB-CZ 4.4Å; V1161-F1164 HydrophobicContact CG2-CE1 3.91Å; V1161-F1164 HydrophobicContact CG2-CZ 3.8Å; F1164-I1199 CarbonylContact O-C 3.53Å; F1164-I1199 WeakPolarHBondContact O-CA 3.29Å; F1164-L1200 HydrophobicContact CB-CB 4.44Å; F1164-L1200 PolarHBondContact N-O 2.66Å; F1164-L1200 PolarHBondContact O-N 3.44Å; F1164-T1202 HydrophobicContact CD2-CG2 4.33Å; F1164-T1202 HydrophobicContact CE2-CG2 4.12Å; F1164-F1206 AromaticContact CE2-CD2 3.83Å; F1164-F1206 HydrophobicContact CE2-CD2 3.83Å; F1164-F1206 HydrophobicContact CE2-CE2 4.03Å; F1164-F1206 AromaticContact CZ-CD2 3.57Å; F1164-F1206 HydrophobicContact CZ-CD2 3.57Å; F1164-F1206 HydrophobicContact CZ-CE2 4.08Å; F1164-F1206 HydrophobicContact CZ-CG 4.4Å
1165S94Very high81Confident12 Ų1257.5 Ų57.58%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-136.3151.8174.3690000113.1V1132 D1133 L1135 S1198V1132-S1165 WeakPolarHBondContact CA-O 3.49Å; D1133-S1165 PolarHBondContact N-O 2.82Å; D1133-S1165 PolarHBondContact O-N 2.86Å; L1135-S1165 WeakPolarHBondContact CD2-OG 3.3Å; S1165-S1198 WeakPolarHBondContact CA-O 3.45Å; S1165-S1198 WeakPolarHBondContact CB-O 3.39Å
1166F94.9Very high79.4Confident14 Ų1462.3 Ų62.36%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-143.7157.8164.868-80000108.7R1065 L1112 N1130 V1132 R1197 S1198 L1200R1065-F1166 VanDerWaalsContact CD-CE1 3.41Å; L1112-F1166 HydrophobicContact CD1-CD2 4.41Å; N1130-F1166 WeakPolarHBondContact ND2-CD2 3.44Å; N1130-F1166 VanDerWaalsContact ND2-CG 3.26Å; N1130-F1166 WeakPolarHBondContact ND2-CG 3.44Å; V1132-F1166 HydrophobicContact CG1-CB 4.11Å; V1132-F1166 HydrophobicContact CG1-CD1 3.78Å; V1132-F1166 HydrophobicContact CG1-CG 4.26Å; F1166-R1197 CarbonylContact O-C 3.53Å; F1166-R1197 WeakPolarHBondContact O-CA 3.47Å; F1166-S1198 PolarHBondContact N-O 2.79Å; F1166-S1198 VanDerWaalsContact N-O 3.15Å; F1166-S1198 PolarHBondContact O-N 2.89Å; F1166-L1200 HydrophobicContact CD1-CD1 4.2Å; F1166-L1200 HydrophobicContact CE1-CD1 4.07Å; F1166-L1200 HydrophobicContact CE1-CD2 4.31Å; F1166-L1200 HydrophobicContact CE1-CG 4.38Å
1167S91.3Very high77.9Confident43 Ų4362.8 Ų62.830%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-122.9135.7-179.7-50.20000110.4E1196 R1197S1167-E1196 CarbonylContact C-O 3.32Å; S1167-E1196 VanDerWaalsContact CA-O 3.23Å; S1167-E1196 WeakPolarHBondContact CA-O 3.33Å; S1167-R1197 PolarHBondContact OG-NE 3.29Å; S1167-R1197 PolarHBondContact OG-NH2 3.27Å
1168R89.4Confident76.1Confident36 Ų3663.5 Ų63.514%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-114.2151.8169.368.6173-175.4106.411.6110.5L1112 D1113 L1195 E1196L1112-R1168 HydrophobicContact CB-CB 4.21Å; L1112-R1168 HydrophobicContact CD1-CB 4.39Å; D1113-R1168 IonicContact OD1-CZ 3.4Å; D1113-R1168 IonicContact OD1-NH1 2.68Å; D1113-R1168 PolarHBondContact OD1-NH1 3.24Å; R1168-L1195 CarbonylContact O-C 3.54Å; R1168-L1195 WeakPolarHBondContact O-CA 3.25Å; R1168-E1196 HydrophobicContact CG-CB 4.01Å; R1168-E1196 IonicContact CZ-OE1 3.09Å; R1168-E1196 VanDerWaalsContact CZ-OE1 3.26Å; R1168-E1196 IonicContact CZ-OE2 3.7Å; R1168-E1196 PolarHBondContact N-O 2.89Å; R1168-E1196 IonicContact NE-OE1 2.78Å; R1168-E1196 PolarHBondContact NE-OE1 2.8Å; R1168-E1196 IonicContact NE-OE2 3.35Å; R1168-E1196 IonicContact NH2-OE1 3.6Å; R1168-E1196 PolarHBondContact NH2-OE1 3.29Å; R1168-E1196 IonicContact NH2-OE2 2.79Å; R1168-E1196 PolarHBondContact NH2-OE2 2.93Å; R1168-E1196 PolarHBondContact O-N 3.47Å
1169R84.8Confident74.3Confident73 Ų7369 Ų6928%0.27536%0.359SS..EExtended strand (participates in β ladder)trans-82.6133.2179.4-68.7176.8179.5-157.20.4110.3M1193 L1195 M1418R1169-M1193 HydrophobicContact CG-CG 4.46Å; R1169-M1193 HydrophobicContact CG-SD 4.37Å; R1169-L1195 HydrophobicContact CB-CD2 4.28Å; R1169-L1195 HydrophobicContact CG-CD2 3.52Å; R1169-M1418 PolarHBondContact NE-O 3.31Å; R1169-M1418 VanDerWaalsContact NE-O 3.09Å; R1169-M1418 PolarHBondContact NH1-O 3.38Å; R1169-M1418 PolarHBondContact NH2-O 3.42Å
1170I79.8Confident72.4Confident37 Ų3770.2 Ų70.219%0.1937%0.368CS..EExtended strand (participates in β ladder)trans-128129.8172.212.9164.7000108.7W1194 E1196I1170-W1194 HydrophobicContact CD1-CB 4.29Å; I1170-W1194 HydrophobicContact CG1-CB 4.2Å; I1170-W1194 PolarHBondContact N-O 2.99Å; I1170-W1194 WeakPolarHBondContact O-CA 3.21Å; I1170-W1194 WeakPolarHBondContact O-CB 3.5Å; I1170-W1194 PolarHBondContact O-N 2.83Å; I1170-W1194 VanDerWaalsContact O-O 3.06Å; I1170-E1196 HydrophobicContact CD1-CB 3.57Å; I1170-E1196 HydrophobicContact CD1-CG 4.49Å; I1170-E1196 HydrophobicContact CG1-CB 3.92Å
1171S71.2Confident70.6Confident104 Ų10469.5 Ų69.573%0.72737%0.372SS*.EExtended strand (participates in β ladder)trans-90.8115.9172.8-171.30000108.8
1172R68.6Low68.7Low111 Ų11174.4 Ų74.442%0.41940%0.401SS..  trans-115.8122.2178.3-170.2177.3-71.6173.20.4109.4L1174 L1192 W1194 D1222R1172-L1174 PolarHBondContact O-N 2.84Å; R1172-L1192 PolarHBondContact N-O 3.24Å; R1172-W1194 HydrophobicContact CB-CG 4.09Å; R1172-D1222 IonicContact CZ-OD2 3.92Å; R1172-D1222 IonicContact NH1-OD2 3.23Å; R1172-D1222 PolarHBondContact NH1-OD2 3.21Å; R1172-D1222 IonicContact NH2-OD2 3.6Å; R1172-D1222 PolarHBondContact NH2-OD2 3.32Å
1173R56.2Low66.5Low195 Ų19579.2 Ų79.274%0.73642%0.424SS*.  trans-69.3115.8174-161175.9-159.9176.56.2108.5S1175R1173-S1175 PolarHBondContact O-N 3.16Å; R1173-S1175 VanDerWaalsContact O-N 3.12Å
1174L52.3Low64.4Low64 Ų6480.8 Ų80.834%0.33543%0.433SS..  trans-62.5115.9165.9-86.7106.6000107.7R1172 N1176 Y1177 L1192R1172-L1174 PolarHBondContact O-N 2.84Å; L1174-N1176 PolarHBondContact O-N 3.48Å; L1174-Y1177 HydrophobicContact CB-CD2 4.23Å; L1174-Y1177 PolarHBondContact O-N 2.9Å; L1174-L1192 HydrophobicContact CD1-CD2 3.92Å
1175S51.6Low62.1Low105 Ų10584.3 Ų84.373%0.73445%0.449SS*.THydrogen-bonded Turntrans-57.6-12.3-178.449.20000114.3R1173R1173-S1175 PolarHBondContact O-N 3.16Å; R1173-S1175 VanDerWaalsContact O-N 3.12Å
1176N48.7Very low60Low107 Ų10787.9 Ų87.957%0.57246%0.464SS*.THydrogen-bonded Turntrans-99.61-170.6-58.10.7000113.7L1174 T1178L1174-N1176 PolarHBondContact O-N 3.48Å; N1176-T1178 PolarHBondContact O-N 3.09Å
1177Y45.8Very low57.8Low67 Ų6795.2 Ų95.226%0.26350%0.499SS..  trans-95.884.7166.9-78.7-88000109.1L1174 S1179L1174-Y1177 HydrophobicContact CB-CD2 4.23Å; L1174-Y1177 PolarHBondContact O-N 2.9Å; Y1177-S1179 PolarHBondContact O-N 3.48Å
1178T43.1Very low56.3Low122 Ų12295.4 Ų95.475%0.74850%0.496SS*.  trans-69.7121.8160.246.50000107.6N1176N1176-T1178 PolarHBondContact O-N 3.09Å
1179S44.6Very low55.1Low126 Ų12697.8 Ų97.888%0.88151%0.509SS*.SBendtrans75.542.8157.2-40.20000119Y1177Y1177-S1179 PolarHBondContact O-N 3.48Å
1180S45.6Very low54.2Low28 Ų2896.5 Ų96.520%0.19651%0.506CS..  trans-96.3135.5161.750.80000112E1184 Q1185S1180-E1184 WeakPolarHBondContact CB-OE2 3.27Å; S1180-Q1185 PolarHBondContact O-NE2 3.31Å
1181S48.5Very low53.5Low66 Ų6695 Ų9546%0.46250%0.499SS..  trans-60.2158.4-179.253.50000112.4E1183 E1184 Q1185S1181-E1183 PolarHBondContact O-N 2.78Å; S1181-E1183 VanDerWaalsContact O-N 3.09Å; S1181-E1184 PolarHBondContact O-N 3.22Å; S1181-E1184 VanDerWaalsContact O-N 3.1Å; S1181-Q1185 WeakPolarHBondContact O-CG 3.42Å; S1181-Q1185 PolarHBondContact O-N 2.78Å
1182V50Low53.5Low111 Ų11191.9 Ų91.967%0.67347%0.474SS*.Hα-helixtrans-54.6-29.3178.7-1800000112Q1185 Q1186V1182-Q1185 PolarHBondContact O-N 2.89Å; V1182-Q1186 PolarHBondContact O-N 3.49Å; V1182-Q1186 VanDerWaalsContact O-N 3.09Å
1183E47.4Very low53.9Low164 Ų16488.6 Ų88.677%0.76646%0.464SS*.Hα-helixtrans-69.8-45.5177.2-65.6-178.3167.200112.3S1181 Q1185 Q1186 E1187S1181-E1183 PolarHBondContact O-N 2.78Å; S1181-E1183 VanDerWaalsContact O-N 3.09Å; E1183-Q1185 VanDerWaalsContact C-N 3.25Å; E1183-Q1185 PolarHBondContact O-N 3.33Å; E1183-Q1186 PolarHBondContact O-N 2.67Å; E1183-E1187 PolarHBondContact O-N 3.46Å
1184E49Very low55.3Low112 Ų11281.8 Ų81.852%0.52344%0.438SS..Hα-helixtrans-65.6-31172.6-76.1-177.9-176.700111.5S1180 S1181 E1187 N1188S1180-E1184 WeakPolarHBondContact CB-OE2 3.27Å; S1181-E1184 PolarHBondContact O-N 3.22Å; S1181-E1184 VanDerWaalsContact O-N 3.1Å; E1184-E1187 PolarHBondContact O-N 2.76Å; E1184-N1188 WeakPolarHBondContact O-CB 3.48Å; E1184-N1188 PolarHBondContact O-N 2.93Å; E1184-N1188 VanDerWaalsContact O-N 3.09Å
1185Q47.4Very low56.9Low74 Ų7479.4 Ų79.435%0.34643%0.426SS..Hα-helixtrans-67.6-37.2177.2-69.8172.616.100112.7S1180 S1181 V1182 E1183 N1188 E1189S1180-Q1185 PolarHBondContact O-NE2 3.31Å; S1181-Q1185 WeakPolarHBondContact O-CG 3.42Å; S1181-Q1185 PolarHBondContact O-N 2.78Å; V1182-Q1185 PolarHBondContact O-N 2.89Å; E1183-Q1185 VanDerWaalsContact C-N 3.25Å; E1183-Q1185 PolarHBondContact O-N 3.33Å; Q1185-N1188 PolarHBondContact O-N 2.76Å; Q1185-E1189 PolarHBondContact O-N 2.87Å
1186Q49.6Very low58.8Low86 Ų8675.8 Ų75.840%0.40240%0.397SS..Hα-helixtrans-73.7-31.1177.9-170.7142.132.900112.1V1182 E1183 N1188 S1424V1182-Q1186 PolarHBondContact O-N 3.49Å; V1182-Q1186 VanDerWaalsContact O-N 3.09Å; E1183-Q1186 PolarHBondContact O-N 2.67Å; Q1186-N1188 VanDerWaalsContact C-N 3.33Å; Q1186-S1424 VanDerWaalsContact NE2-CB 3.28Å; Q1186-S1424 PolarHBondContact NE2-OG 2.92Å; Q1186-S1424 PolarHBondContact OE1-OG 3.43Å
1187E49.9Very low60.9Low168 Ų16873 Ų7379%0.78538%0.379SS*.Hα-helixtrans-73.3-24.5171.7-73.9-168.2149.700113.1E1183 E1184E1183-E1187 PolarHBondContact O-N 3.46Å; E1184-E1187 PolarHBondContact O-N 2.76Å
1188N58.3Low63.2Low47 Ų4769.9 Ų69.925%0.25137%0.367SS..THydrogen-bonded Turntrans-95.412.8-178.4-130.5-11.9000114.4E1184 Q1185 Q1186 F1190 G1191 L1192E1184-N1188 WeakPolarHBondContact O-CB 3.48Å; E1184-N1188 PolarHBondContact O-N 2.93Å; E1184-N1188 VanDerWaalsContact O-N 3.09Å; Q1185-N1188 PolarHBondContact O-N 2.76Å; Q1186-N1188 VanDerWaalsContact C-N 3.33Å; N1188-F1190 PolarHBondContact O-N 2.57Å; N1188-F1190 VanDerWaalsContact O-N 3.13Å; N1188-G1191 PolarHBondContact O-N 2.86Å; N1188-L1192 PolarHBondContact O-N 2.69Å
1189E64.5Low65.7Low87 Ų8766.1 Ų66.141%0.40734%0.342SS..G310 helixtrans-52.7-36.7179.7-81.3-171.2168.200112.3Q1185 G1191 L1192 M1193 S1422Q1185-E1189 PolarHBondContact O-N 2.87Å; E1189-G1191 VanDerWaalsContact C-N 3.34Å; E1189-G1191 PolarHBondContact O-N 2.74Å; E1189-L1192 PolarHBondContact O-N 2.74Å; E1189-M1193 PolarHBondContact O-N 2.71Å; E1189-S1422 PolarHBondContact OE1-OG 3.05Å; E1189-S1422 VanDerWaalsContact OE1-OG 3.08Å
1190F66.3Low68.1Low46 Ų4660.1 Ų60.120%0.20230%0.3CS..G310 helixtrans-68.2-33.3179.2-139.3-84.8000112.5N1188 L1192 M1271 Y1277 V1280 F1281N1188-F1190 PolarHBondContact O-N 2.57Å; N1188-F1190 VanDerWaalsContact O-N 3.13Å; F1190-L1192 VanDerWaalsContact C-N 3.32Å; F1190-M1271 HydrophobicContact CD2-CE 4.41Å; F1190-M1271 HydrophobicContact CE2-CE 3.75Å; F1190-Y1277 HydrophobicContact CD1-CE1 4.41Å; F1190-Y1277 HydrophobicContact CE1-CD1 4.29Å; F1190-Y1277 AromaticContact CE1-CE1 3.65Å; F1190-Y1277 HydrophobicContact CE1-CE1 3.65Å; F1190-Y1277 HydrophobicContact CZ-CE1 4.29Å; F1190-V1280 HydrophobicContact CB-CG2 4.18Å; F1190-F1281 HydrophobicContact CD1-CE2 4.47Å
1191G65.1Low70.6Confident5 Ų560.2 Ų60.25%0.05230%0.299CS..G310 helixtrans-80.1-10.7-179.900000114.4N1188 E1189 P1225N1188-G1191 PolarHBondContact O-N 2.86Å; E1189-G1191 VanDerWaalsContact C-N 3.34Å; E1189-G1191 PolarHBondContact O-N 2.74Å; G1191-P1225 VanDerWaalsContact O-CG 3.31Å; G1191-P1225 WeakPolarHBondContact O-CG 3.45Å
1192L71.4Confident72.8Confident38 Ų3857.1 Ų57.120%0.19928%0.277CS..G310 helixtrans-106.2-2.5178.6-61.2176.2000112.9R1172 L1174 N1188 E1189 F1190 W1194R1172-L1192 PolarHBondContact N-O 3.24Å; L1174-L1192 HydrophobicContact CD1-CD2 3.92Å; N1188-L1192 PolarHBondContact O-N 2.69Å; E1189-L1192 PolarHBondContact O-N 2.74Å; F1190-L1192 VanDerWaalsContact C-N 3.32Å; L1192-W1194 PolarHBondContact O-N 3.14Å
1193M76Confident74.8Confident42 Ų4254.2 Ų54.221%0.20726%0.262CS..EExtended strand (participates in β ladder)trans-86.891.3-172.5-169.5178.9-58.100111.8R1169 E1189R1169-M1193 HydrophobicContact CG-CG 4.46Å; R1169-M1193 HydrophobicContact CG-SD 4.37Å; E1189-M1193 PolarHBondContact O-N 2.71Å
1194W85.5Confident76.9Confident52 Ų5248.5 Ų48.520%0.19724%0.24CC..EExtended strand (participates in β ladder)trans-81.1152.2170.5-68.768.4000110I1170 R1172 L1192 D1222 L1223 S1224I1170-W1194 HydrophobicContact CD1-CB 4.29Å; I1170-W1194 HydrophobicContact CG1-CB 4.2Å; I1170-W1194 PolarHBondContact N-O 2.99Å; I1170-W1194 WeakPolarHBondContact O-CA 3.21Å; I1170-W1194 WeakPolarHBondContact O-CB 3.5Å; I1170-W1194 PolarHBondContact O-N 2.83Å; I1170-W1194 VanDerWaalsContact O-O 3.06Å; R1172-W1194 HydrophobicContact CB-CG 4.09Å; L1192-W1194 PolarHBondContact O-N 3.14Å; W1194-D1222 HydrophobicContact CE3-CB 4.23Å; W1194-D1222 HydrophobicContact CZ3-CB 4.47Å; W1194-L1223 WeakPolarHBondContact CA-O 3.24Å; W1194-S1224 VanDerWaalsContact CE3-CA 3.49Å; W1194-S1224 VanDerWaalsContact CZ3-CA 3.48Å
1195L87.2Confident78.9Confident14 Ų1447 Ų477%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-113125.7168.3-68.7-176.8000109.3R1168 R1169 L1223 V1228 M1417R1168-L1195 CarbonylContact O-C 3.54Å; R1168-L1195 WeakPolarHBondContact O-CA 3.25Å; R1169-L1195 HydrophobicContact CB-CD2 4.28Å; R1169-L1195 HydrophobicContact CG-CD2 3.52Å; L1195-L1223 HydrophobicContact CB-CB 4.23Å; L1195-L1223 PolarHBondContact N-O 3.24Å; L1195-L1223 PolarHBondContact O-N 2.61Å; L1195-V1228 HydrophobicContact CB-CG2 3.97Å; L1195-V1228 HydrophobicContact CD1-CB 4.35Å; L1195-V1228 HydrophobicContact CD1-CG1 3.74Å; L1195-V1228 HydrophobicContact CD1-CG2 3.64Å; L1195-V1228 HydrophobicContact CG-CG1 4.25Å; L1195-V1228 HydrophobicContact CG-CG2 3.65Å; L1195-M1417 HydrophobicContact CD1-CE 4.26Å
1196E90.8Very high81Confident29 Ų2943.5 Ų43.514%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-87.1119.4163.9-170.9-175.577.300107.6S1167 R1168 I1170 H1220S1167-E1196 CarbonylContact C-O 3.32Å; S1167-E1196 VanDerWaalsContact CA-O 3.23Å; S1167-E1196 WeakPolarHBondContact CA-O 3.33Å; R1168-E1196 HydrophobicContact CG-CB 4.01Å; R1168-E1196 IonicContact CZ-OE1 3.09Å; R1168-E1196 VanDerWaalsContact CZ-OE1 3.26Å; R1168-E1196 IonicContact CZ-OE2 3.7Å; R1168-E1196 PolarHBondContact N-O 2.89Å; R1168-E1196 IonicContact NE-OE1 2.78Å; R1168-E1196 PolarHBondContact NE-OE1 2.8Å; R1168-E1196 IonicContact NE-OE2 3.35Å; R1168-E1196 IonicContact NH2-OE1 3.6Å; R1168-E1196 PolarHBondContact NH2-OE1 3.29Å; R1168-E1196 IonicContact NH2-OE2 2.79Å; R1168-E1196 PolarHBondContact NH2-OE2 2.93Å; R1168-E1196 PolarHBondContact O-N 3.47Å; I1170-E1196 HydrophobicContact CD1-CB 3.57Å; I1170-E1196 HydrophobicContact CD1-CG 4.49Å; I1170-E1196 HydrophobicContact CG1-CB 3.92Å; E1196-H1220 HydrophobicContact CG-CB 4.11Å; E1196-H1220 IonicContact OE1-ND1 3.84Å
1197R93.4Very high83Confident48 Ų4840.1 Ų40.118%0.18120%0.204CC..EExtended strand (participates in β ladder)trans-101.3114.4174.9-179.1161.3-66.8167.4-1.2110F1166 S1167 H1220 V1221 L1223 E1231F1166-R1197 CarbonylContact O-C 3.53Å; F1166-R1197 WeakPolarHBondContact O-CA 3.47Å; S1167-R1197 PolarHBondContact OG-NE 3.29Å; S1167-R1197 PolarHBondContact OG-NH2 3.27Å; R1197-H1220 CarbonylContact O-C 3.54Å; R1197-H1220 WeakPolarHBondContact O-CA 3.32Å; R1197-V1221 PolarHBondContact N-O 2.89Å; R1197-V1221 PolarHBondContact O-N 3.33Å; R1197-L1223 HydrophobicContact CB-CD1 4.36Å; R1197-E1231 IonicContact CZ-OE1 2.92Å; R1197-E1231 IonicContact CZ-OE2 3.45Å; R1197-E1231 IonicContact NH1-OE1 3.68Å; R1197-E1231 PolarHBondContact NH1-OE1 3.16Å; R1197-E1231 IonicContact NH1-OE2 2.75Å; R1197-E1231 PolarHBondContact NH1-OE2 2.89Å; R1197-E1231 IonicContact NH2-OE1 3.3Å; R1197-E1231 PolarHBondContact NH2-OE1 3.41Å; R1197-E1231 IonicContact NH2-OE2 3.25Å; R1197-E1231 PolarHBondContact NH2-OE2 2.6Å
1198S94.4Very high84.9Confident3 Ų332.7 Ų32.72%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-87.5133.5172-55.40000109.8S1165 F1166 S1219 H1220S1165-S1198 WeakPolarHBondContact CA-O 3.45Å; S1165-S1198 WeakPolarHBondContact CB-O 3.39Å; F1166-S1198 PolarHBondContact N-O 2.79Å; F1166-S1198 VanDerWaalsContact N-O 3.15Å; F1166-S1198 PolarHBondContact O-N 2.89Å; S1198-S1219 CarbonylContact C-O 3.19Å; S1198-S1219 WeakPolarHBondContact CA-O 3.19Å; S1198-H1220 PolarHBondContact OG-CE1 3.09Å; S1198-H1220 PolarHBondContact OG-ND1 2.81Å
1199I94.9Very high86.6Confident43 Ų4331.8 Ų31.822%0.22117%0.167CC..EExtended strand (participates in β ladder)trans-114.4120175.8-59.2173.8000107.8L1135 F1164 E1218 S1219 V1221L1135-I1199 HydrophobicContact CD1-CB 4.46Å; L1135-I1199 HydrophobicContact CD1-CG1 4.16Å; L1135-I1199 HydrophobicContact CD1-CG2 3.72Å; F1164-I1199 CarbonylContact O-C 3.53Å; F1164-I1199 WeakPolarHBondContact O-CA 3.29Å; I1199-E1218 WeakPolarHBondContact O-CA 3.37Å; I1199-S1219 PolarHBondContact N-O 2.66Å; I1199-S1219 PolarHBondContact O-N 2.95Å; I1199-V1221 HydrophobicContact CD1-CG2 4.18Å
1200L95.9Very high88Confident0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-109137.2-176.2-48.3170.9000109.3R1065 V1083 V1132 K1163 F1164 F1166 V1215 E1218R1065-L1200 HydrophobicContact CB-CD1 4.23Å; R1065-L1200 HydrophobicContact CG-CD1 4.18Å; V1083-L1200 HydrophobicContact CG2-CD1 4.11Å; V1132-L1200 HydrophobicContact CG1-CD1 4.01Å; K1163-L1200 VanDerWaalsContact CA-O 3.32Å; K1163-L1200 WeakPolarHBondContact CA-O 3.4Å; F1164-L1200 HydrophobicContact CB-CB 4.44Å; F1164-L1200 PolarHBondContact N-O 2.66Å; F1164-L1200 PolarHBondContact O-N 3.44Å; F1166-L1200 HydrophobicContact CD1-CD1 4.2Å; F1166-L1200 HydrophobicContact CE1-CD1 4.07Å; F1166-L1200 HydrophobicContact CE1-CD2 4.31Å; F1166-L1200 HydrophobicContact CE1-CG 4.38Å; L1200-V1215 HydrophobicContact CB-CG1 4.2Å; L1200-V1215 HydrophobicContact CB-CG2 4.32Å; L1200-V1215 HydrophobicContact CD2-CG1 4.22Å; L1200-E1218 HydrophobicContact CD2-CB 4.12Å; L1200-E1218 HydrophobicContact CD2-CG 3.74Å
1201V96.2Very high89.2Confident30 Ų3027.8 Ų27.818%0.18215%0.148CC..EExtended strand (participates in β ladder)trans-117.5124.5171.4-170.70000108.5Q1162 K1163 V1215 T1216 S1217Q1162-V1201 HydrophobicContact CG-CG1 4.06Å; K1163-V1201 HydrophobicContact CG-CG2 4.33Å; V1201-V1215 CarbonylContact O-C 3.51Å; V1201-V1215 WeakPolarHBondContact O-CA 3.32Å; V1201-T1216 PolarHBondContact O-N 2.92Å; V1201-T1216 PolarHBondContact O-OG1 3.44Å; V1201-T1216 VanDerWaalsContact O-OG1 3.12Å; V1201-S1217 WeakPolarHBondContact CB-OG 3.36Å; V1201-S1217 WeakPolarHBondContact CG2-OG 3.47Å; V1201-S1217 PolarHBondContact N-O 3.2Å; V1201-S1217 PolarHBondContact O-N 3.48Å
1202T96Very high90.5Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-87.5160.2176.649.50000112.8V1083 Q1162 F1164 C1204 F1206 F1213 P1214V1083-T1202 HydrophobicContact CB-CG2 3.67Å; V1083-T1202 HydrophobicContact CG2-CG2 3.67Å; Q1162-T1202 VanDerWaalsContact CG-O 3.31Å; Q1162-T1202 WeakPolarHBondContact CG-O 3.48Å; Q1162-T1202 PolarHBondContact NE2-O 3.07Å; Q1162-T1202 PolarHBondContact O-N 3.47Å; Q1162-T1202 VanDerWaalsContact O-N 3.09Å; Q1162-T1202 PolarHBondContact O-OG1 3.47Å; F1164-T1202 HydrophobicContact CD2-CG2 4.33Å; F1164-T1202 HydrophobicContact CE2-CG2 4.12Å; T1202-C1204 PolarHBondContact O-N 3.07Å; T1202-C1204 PolarHBondContact OG1-O 2.92Å; T1202-F1206 HydrophobicContact CG2-CE2 3.95Å; T1202-F1213 HydrophobicContact CG2-CB 4.37Å; T1202-P1214 WeakPolarHBondContact CA-O 3.43Å
1203S91.4Very high91.6Very high50 Ų5026.3 Ų26.335%0.3514%0.138SC..EExtended strand (participates in β ladder)trans-61.5-30.5177.365.70000113.7P1214S1203-P1214 PolarHBondContact N-O 3.03Å; S1203-P1214 WeakPolarHBondContact OG-CD 3.46Å
1204C90.6Very high92.5Very high44 Ų4426.8 Ų26.830%0.29715%0.145SC..EExtended strand (participates in β ladder)trans-135.3161.1-177.3-58.30000111.1T1202 F1213T1202-C1204 PolarHBondContact O-N 3.07Å; T1202-C1204 PolarHBondContact OG1-O 2.92Å; C1204-F1213 HydrophobicContact CB-CD1 3.79Å; C1204-F1213 HydrophobicContact CB-CD2 3.82Å; C1204-F1213 HydrophobicContact CB-CE1 3.71Å; C1204-F1213 HydrophobicContact CB-CE2 3.76Å; C1204-F1213 HydrophobicContact CB-CG 3.86Å; C1204-F1213 HydrophobicContact CB-CZ 3.71Å
1205L91.8Very high93Very high80 Ų8025.7 Ų25.742%0.41914%0.144SC..EExtended strand (participates in β ladder)trans-69.9149.5171-71.3155000111.2E1160 Q1162 P1207 G1208E1160-L1205 WeakPolarHBondContact O-CD2 3.17Å; Q1162-L1205 HydrophobicContact CB-CD2 3.83Å; Q1162-L1205 HydrophobicContact CB-CG 4.41Å; L1205-P1207 CarbonylContact O-C 3.57Å; L1205-G1208 PolarHBondContact O-N 3.2Å
1206F92.1Very high93.3Very high1 Ų129.4 Ų29.40%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-103.2138.9168.3-75.9-83.6000112.2Y1063 V1083 R1085 E1160 V1161 F1164 T1202 R1211 F1213Y1063-F1206 HydrophobicContact CE1-CB 3.7Å; Y1063-F1206 HydrophobicContact CE1-CD1 4.07Å; Y1063-F1206 HydrophobicContact CE1-CD2 4.12Å; Y1063-F1206 AromaticContact CE1-CG 3.7Å; Y1063-F1206 HydrophobicContact CE1-CG 3.7Å; V1083-F1206 HydrophobicContact CB-CE2 4.26Å; V1083-F1206 HydrophobicContact CG1-CE2 4.22Å; V1083-F1206 VanDerWaalsContact O-CZ 3.28Å; V1083-F1206 WeakPolarHBondContact O-CZ 3.41Å; R1085-F1206 HydrophobicContact CB-CD1 3.88Å; R1085-F1206 HydrophobicContact CB-CE1 4.09Å; E1160-F1206 WeakPolarHBondContact CA-O 3.48Å; E1160-F1206 PolarHBondContact N-O 3.42Å; V1161-F1206 HydrophobicContact CG2-CB 4.25Å; V1161-F1206 PolarHBondContact N-O 3.45Å; V1161-F1206 PolarHBondContact O-N 2.78Å; F1164-F1206 AromaticContact CE2-CD2 3.83Å; F1164-F1206 HydrophobicContact CE2-CD2 3.83Å; F1164-F1206 HydrophobicContact CE2-CE2 4.03Å; F1164-F1206 AromaticContact CZ-CD2 3.57Å; F1164-F1206 HydrophobicContact CZ-CD2 3.57Å; F1164-F1206 HydrophobicContact CZ-CE2 4.08Å; F1164-F1206 HydrophobicContact CZ-CG 4.4Å; T1202-F1206 HydrophobicContact CG2-CE2 3.95Å; F1206-R1211 WeakPolarHBondContact CE1-O 3.25Å; F1206-F1213 HydrophobicContact CD1-CD2 4.16Å; F1206-F1213 HydrophobicContact CD1-CE2 4.29Å; F1206-F1213 HydrophobicContact CD2-CD2 4.29Å; F1206-F1213 AromaticContact CE1-CD2 3.6Å; F1206-F1213 HydrophobicContact CE1-CD2 3.6Å; F1206-F1213 HydrophobicContact CE1-CE2 4.03Å; F1206-F1213 HydrophobicContact CE2-CB 4.29Å; F1206-F1213 AromaticContact CE2-CD2 3.78Å; F1206-F1213 HydrophobicContact CE2-CD2 3.78Å; F1206-F1213 HydrophobicContact CG-CD2 4.48Å; F1206-F1213 HydrophobicContact CZ-CB 4.04Å; F1206-F1213 AromaticContact CZ-CD2 3.41Å; F1206-F1213 HydrophobicContact CZ-CD2 3.41Å; F1206-F1213 VanDerWaalsContact CZ-CD2 3.41Å; F1206-F1213 HydrophobicContact CZ-CE2 4.28Å; F1206-F1213 HydrophobicContact CZ-CG 4.15Å
1207P91.1Very high93.4Very high15 Ų1531 Ų3110%0.09718%0.181CC..SBendcis-68.9150.8-11.128.2-32.9000112.7V982 L986 L1037 L1205V982-P1207 HydrophobicContact CG1-CB 3.82Å; V982-P1207 HydrophobicContact CG1-CG 3.88Å; L986-P1207 HydrophobicContact CD1-CB 3.83Å; L986-P1207 HydrophobicContact CD1-CG 4.12Å; L1037-P1207 HydrophobicContact CD2-CG 3.95Å; L1205-P1207 CarbonylContact O-C 3.57Å
1208G90.8Very high93.4Very high12 Ų1232.3 Ų32.312%0.12419%0.19CC..SBendtrans-133.2-164.8176.200000111.3E983 L986 L1205 L1210E983-G1208 WeakPolarHBondContact CG-O 3.32Å; L986-G1208 WeakPolarHBondContact CD1-O 3.44Å; L1205-G1208 PolarHBondContact O-N 3.2Å; G1208-L1210 PolarHBondContact O-N 2.95Å
1209I92.6Very high93.3Very high28 Ų2835 Ų3514%0.14421%0.209CC..SBendtrans-70.6-6.4177.762.7170.4000114.3V949 L971 H975 L986 L990V949-I1209 HydrophobicContact CG1-CD1 4.03Å; V949-I1209 HydrophobicContact CG2-CD1 4.09Å; L971-I1209 HydrophobicContact CD2-CB 4.47Å; H975-I1209 PolarHBondContact CE1-O 3.41Å; H975-I1209 PolarHBondContact NE2-O 2.91Å; L986-I1209 HydrophobicContact CB-CG2 4.5Å; L990-I1209 HydrophobicContact CD1-CD1 4.19Å; L990-I1209 HydrophobicContact CD1-CG2 3.75Å; L990-I1209 HydrophobicContact CG-CG2 4.14Å
1210L93.6Very high93.1Very high11 Ų1137.7 Ų37.76%0.05822%0.22CC..SBendtrans-132.4157.3172.1-67.7174.4000109M945 V949 L971 G1208 W1212 F1213M945-L1210 HydrophobicContact CB-CD2 3.72Å; V949-L1210 HydrophobicContact CB-CD1 4.25Å; V949-L1210 HydrophobicContact CG1-CD1 4.33Å; V949-L1210 HydrophobicContact CG2-CD1 3.96Å; V949-L1210 HydrophobicContact CG2-CD2 3.82Å; V949-L1210 HydrophobicContact CG2-CG 3.9Å; L971-L1210 HydrophobicContact CD1-CD2 4.38Å; G1208-L1210 PolarHBondContact O-N 2.95Å; L1210-W1212 VanDerWaalsContact C-N 3.27Å; L1210-F1213 HydrophobicContact CB-CD1 4.48Å; L1210-F1213 HydrophobicContact CB-CE1 3.83Å; L1210-F1213 HydrophobicContact CB-CZ 3.89Å; L1210-F1213 HydrophobicContact CD1-CE1 4.3Å; L1210-F1213 HydrophobicContact CG-CE1 4.38Å; L1210-F1213 VanDerWaalsContact O-CE2 3.31Å; L1210-F1213 WeakPolarHBondContact O-CE2 3.28Å
1211R92.1Very high92.8Very high38 Ų3840.9 Ų40.914%0.14324%0.239CC..SBendtrans-87.23.9175.7-63-168.163.2174.6-2.4113.7N980 E983 Y1084 R1085 G1086 D1087 F1206N980-R1211 VanDerWaalsContact CG-CD 3.43Å; N980-R1211 VanDerWaalsContact OD1-CD 3.24Å; N980-R1211 WeakPolarHBondContact OD1-CD 3.23Å; N980-R1211 PolarHBondContact OD1-NH1 3.43Å; E983-R1211 HydrophobicContact CG-CG 3.59Å; Y1084-R1211 WeakPolarHBondContact CA-O 3.3Å; R1085-R1211 PolarHBondContact N-O 2.61Å; R1085-R1211 PolarHBondContact O-NH2 2.8Å; G1086-R1211 PolarHBondContact O-NH2 3.43Å; D1087-R1211 IonicContact OD1-CZ 3.35Å; D1087-R1211 IonicContact OD1-NH1 2.86Å; D1087-R1211 PolarHBondContact OD1-NH1 3.3Å; D1087-R1211 IonicContact OD1-NH2 3.02Å; D1087-R1211 PolarHBondContact OD1-NH2 3.33Å; F1206-R1211 WeakPolarHBondContact CE1-O 3.25Å
1212W93.4Very high92.4Very high4 Ų442.3 Ų42.32%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-153.8141.517965-53.4000110.3N942 S946 F1068 L1077 F1082 V1083 Y1084 L1210N942-W1212 HydrophobicContact CB-CZ2 3.98Å; S946-W1212 WeakPolarHBondContact OG-CZ2 3.29Å; S946-W1212 PolarHBondContact OG-NE1 2.88Å; F1068-W1212 HydrophobicContact CE2-CZ3 4.15Å; F1068-W1212 HydrophobicContact CZ-CZ3 4.48Å; L1077-W1212 HydrophobicContact CD2-CH2 3.86Å; L1077-W1212 HydrophobicContact CD2-CZ3 3.93Å; F1082-W1212 HydrophobicContact CB-CE3 3.79Å; F1082-W1212 HydrophobicContact CB-CZ3 4.37Å; F1082-W1212 HydrophobicContact CD1-CD2 4.18Å; F1082-W1212 AromaticContact CD1-CE3 3.25Å; F1082-W1212 HydrophobicContact CD1-CE3 3.25Å; F1082-W1212 AromaticContact CD1-CZ3 3.57Å; F1082-W1212 HydrophobicContact CD1-CZ3 3.57Å; F1082-W1212 HydrophobicContact CD2-CE3 4.19Å; F1082-W1212 AromaticContact CD2-CZ3 3.94Å; F1082-W1212 HydrophobicContact CD2-CZ3 3.94Å; F1082-W1212 AromaticContact CE1-CE3 3.82Å; F1082-W1212 HydrophobicContact CE1-CE3 3.82Å; F1082-W1212 AromaticContact CE1-CZ3 3.72Å; F1082-W1212 HydrophobicContact CE1-CZ3 3.72Å; F1082-W1212 HydrophobicContact CE2-CZ3 4.06Å; F1082-W1212 AromaticContact CG-CE3 3.49Å; F1082-W1212 HydrophobicContact CG-CE3 3.49Å; F1082-W1212 VanDerWaalsContact CG-CE3 3.49Å; F1082-W1212 AromaticContact CG-CZ3 3.7Å; F1082-W1212 HydrophobicContact CG-CZ3 3.7Å; F1082-W1212 HydrophobicContact CZ-CE3 4.49Å; F1082-W1212 AromaticContact CZ-CZ3 3.97Å; F1082-W1212 HydrophobicContact CZ-CZ3 3.97Å; V1083-W1212 CarbonylContact O-C 3.57Å; V1083-W1212 WeakPolarHBondContact O-CA 3.27Å; V1083-W1212 WeakPolarHBondContact O-CB 3.03Å; Y1084-W1212 HydrophobicContact CD1-CB 3.54Å; Y1084-W1212 HydrophobicContact CD1-CG 4.11Å; Y1084-W1212 HydrophobicContact CD2-CB 3.87Å; Y1084-W1212 HydrophobicContact CE1-CB 3.65Å; Y1084-W1212 AromaticContact CE1-CD2 3.84Å; Y1084-W1212 HydrophobicContact CE1-CD2 3.84Å; Y1084-W1212 HydrophobicContact CE1-CE3 4.02Å; Y1084-W1212 AromaticContact CE1-CG 3.72Å; Y1084-W1212 HydrophobicContact CE1-CG 3.72Å; Y1084-W1212 HydrophobicContact CE2-CB 3.95Å; Y1084-W1212 HydrophobicContact CE2-CD2 4.14Å; Y1084-W1212 AromaticContact CE2-CE3 3.56Å; Y1084-W1212 HydrophobicContact CE2-CE3 3.56Å; Y1084-W1212 HydrophobicContact CE2-CG 4.36Å; Y1084-W1212 HydrophobicContact CE2-CZ3 4.32Å; Y1084-W1212 HydrophobicContact CG-CB 3.66Å; Y1084-W1212 AromaticContact CZ-CD2 3.56Å; Y1084-W1212 AromaticContact CZ-CE3 3.23Å; Y1084-W1212 AromaticContact CZ-CG 3.87Å; Y1084-W1212 AromaticContact CZ-CZ3 3.88Å; Y1084-W1212 WeakPolarHBondContact OH-CZ3 3.22Å; L1210-W1212 VanDerWaalsContact C-N 3.27Å
1213F94.2Very high92Very high8 Ų843.3 Ų43.34%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-137.7144.4-178.2-70-64.8000110.5F1082 V1083 T1202 C1204 F1206 L1210F1082-F1213 WeakPolarHBondContact CA-O 3.3Å; V1083-F1213 PolarHBondContact N-O 3.18Å; V1083-F1213 PolarHBondContact O-N 3.47Å; T1202-F1213 HydrophobicContact CG2-CB 4.37Å; C1204-F1213 HydrophobicContact CB-CD1 3.79Å; C1204-F1213 HydrophobicContact CB-CD2 3.82Å; C1204-F1213 HydrophobicContact CB-CE1 3.71Å; C1204-F1213 HydrophobicContact CB-CE2 3.76Å; C1204-F1213 HydrophobicContact CB-CG 3.86Å; C1204-F1213 HydrophobicContact CB-CZ 3.71Å; F1206-F1213 HydrophobicContact CD1-CD2 4.16Å; F1206-F1213 HydrophobicContact CD1-CE2 4.29Å; F1206-F1213 HydrophobicContact CD2-CD2 4.29Å; F1206-F1213 AromaticContact CE1-CD2 3.6Å; F1206-F1213 HydrophobicContact CE1-CD2 3.6Å; F1206-F1213 HydrophobicContact CE1-CE2 4.03Å; F1206-F1213 HydrophobicContact CE2-CB 4.29Å; F1206-F1213 AromaticContact CE2-CD2 3.78Å; F1206-F1213 HydrophobicContact CE2-CD2 3.78Å; F1206-F1213 HydrophobicContact CG-CD2 4.48Å; F1206-F1213 HydrophobicContact CZ-CB 4.04Å; F1206-F1213 AromaticContact CZ-CD2 3.41Å; F1206-F1213 HydrophobicContact CZ-CD2 3.41Å; F1206-F1213 VanDerWaalsContact CZ-CD2 3.41Å; F1206-F1213 HydrophobicContact CZ-CE2 4.28Å; F1206-F1213 HydrophobicContact CZ-CG 4.15Å; L1210-F1213 HydrophobicContact CB-CD1 4.48Å; L1210-F1213 HydrophobicContact CB-CE1 3.83Å; L1210-F1213 HydrophobicContact CB-CZ 3.89Å; L1210-F1213 HydrophobicContact CD1-CE1 4.3Å; L1210-F1213 HydrophobicContact CG-CE1 4.38Å; L1210-F1213 VanDerWaalsContact O-CE2 3.31Å; L1210-F1213 WeakPolarHBondContact O-CE2 3.28Å
1214P93.9Very high91.8Very high53 Ų5341.5 Ų41.534%0.34424%0.238SC..EExtended strand (participates in β ladder)trans-65.4145.3177.826.6-33.6000110.8F1082 T1202 S1203 T1216F1082-P1214 VanDerWaalsContact CD1-CA 3.47Å; F1082-P1214 HydrophobicContact CD1-CB 3.95Å; F1082-P1214 VanDerWaalsContact CD1-N 3.33Å; F1082-P1214 HydrophobicContact CE1-CB 3.65Å; F1082-P1214 HydrophobicContact CE1-CG 4.19Å; F1082-P1214 HydrophobicContact CZ-CB 4.18Å; T1202-P1214 WeakPolarHBondContact CA-O 3.43Å; S1203-P1214 PolarHBondContact N-O 3.03Å; S1203-P1214 WeakPolarHBondContact OG-CD 3.46Å; P1214-T1216 PolarHBondContact O-N 3.42Å
1215V96.2Very high91.4Very high29 Ų2939.9 Ų39.918%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-76.3118.7171178.20000108.4T1081 V1083 L1200 V1201 S1217 E1218T1081-V1215 HydrophobicContact CG2-CG2 3.93Å; T1081-V1215 PolarHBondContact O-N 3.07Å; V1083-V1215 HydrophobicContact CG2-CG2 3.94Å; L1200-V1215 HydrophobicContact CB-CG1 4.2Å; L1200-V1215 HydrophobicContact CB-CG2 4.32Å; L1200-V1215 HydrophobicContact CD2-CG1 4.22Å; V1201-V1215 CarbonylContact O-C 3.51Å; V1201-V1215 WeakPolarHBondContact O-CA 3.32Å; V1215-S1217 VanDerWaalsContact CG1-O 3.26Å; V1215-S1217 WeakPolarHBondContact CG1-O 3.44Å; V1215-E1218 HydrophobicContact CG1-CB 4.47Å
1216T94.3Very high91.1Very high91 Ų9136.2 Ų36.256%0.55821%0.208SC*.EExtended strand (participates in β ladder)trans-90.3-28.1179.951.50000112.6V1201 P1214V1201-T1216 PolarHBondContact O-N 2.92Å; V1201-T1216 PolarHBondContact O-OG1 3.44Å; V1201-T1216 VanDerWaalsContact O-OG1 3.12Å; P1214-T1216 PolarHBondContact O-N 3.42Å
1217S92.9Very high90.8Very high62 Ų6238.2 Ų38.243%0.43422%0.217SC..EExtended strand (participates in β ladder)trans-147.7145173.360.60000111.5V1201 V1215V1201-S1217 WeakPolarHBondContact CB-OG 3.36Å; V1201-S1217 WeakPolarHBondContact CG2-OG 3.47Å; V1201-S1217 PolarHBondContact N-O 3.2Å; V1201-S1217 PolarHBondContact O-N 3.48Å; V1215-S1217 VanDerWaalsContact CG1-O 3.26Å; V1215-S1217 WeakPolarHBondContact CG1-O 3.44Å
1218E92.9Very high90.6Very high77 Ų7738 Ų3836%0.3622%0.216SC..EExtended strand (participates in β ladder)trans-130.6136177.2177.3166-157.400108.3I1199 L1200 V1215 H1220I1199-E1218 WeakPolarHBondContact O-CA 3.37Å; L1200-E1218 HydrophobicContact CD2-CB 4.12Å; L1200-E1218 HydrophobicContact CD2-CG 3.74Å; V1215-E1218 HydrophobicContact CG1-CB 4.47Å; E1218-H1220 IonicContact OE1-CE1 2.75Å; E1218-H1220 PolarHBondContact OE1-CE1 2.84Å; E1218-H1220 IonicContact OE1-NE2 2.77Å
1219S92.9Very high90.3Very high60 Ų6037.5 Ų37.542%0.4221%0.21SC..EExtended strand (participates in β ladder)trans-137.4150.817658.60000110.2S1198 I1199S1198-S1219 CarbonylContact C-O 3.19Å; S1198-S1219 WeakPolarHBondContact CA-O 3.19Å; I1199-S1219 PolarHBondContact N-O 2.66Å; I1199-S1219 PolarHBondContact O-N 2.95Å
1220H90.1Very high90Very high98 Ų9837 Ų3745%0.45421%0.209SC..EExtended strand (participates in β ladder)trans-121.1136.2-176.2-56.1-83.1000110.4E1196 R1197 S1198 E1218E1196-H1220 HydrophobicContact CG-CB 4.11Å; E1196-H1220 IonicContact OE1-ND1 3.84Å; R1197-H1220 CarbonylContact O-C 3.54Å; R1197-H1220 WeakPolarHBondContact O-CA 3.32Å; S1198-H1220 PolarHBondContact OG-CE1 3.09Å; S1198-H1220 PolarHBondContact OG-ND1 2.81Å; E1218-H1220 IonicContact OE1-CE1 2.75Å; E1218-H1220 PolarHBondContact OE1-CE1 2.84Å; E1218-H1220 IonicContact OE1-NE2 2.77Å
1221V89.1Confident89.7Confident67 Ų6740.5 Ų40.541%0.40623%0.225SC..EExtended strand (participates in β ladder)trans-126.5120.5178-179.90000108.7R1197 I1199R1197-V1221 PolarHBondContact N-O 2.89Å; R1197-V1221 PolarHBondContact O-N 3.33Å; I1199-V1221 HydrophobicContact CD1-CG2 4.18Å
1222D87.8Confident89.4Confident60 Ų6039.9 Ų39.932%0.32123%0.228SC..EExtended strand (participates in β ladder)trans-80.8126.1174.2-74.2-14.1000110.3R1172 W1194R1172-D1222 IonicContact CZ-OD2 3.92Å; R1172-D1222 IonicContact NH1-OD2 3.23Å; R1172-D1222 PolarHBondContact NH1-OD2 3.21Å; R1172-D1222 IonicContact NH2-OD2 3.6Å; R1172-D1222 PolarHBondContact NH2-OD2 3.32Å; W1194-D1222 HydrophobicContact CE3-CB 4.23Å; W1194-D1222 HydrophobicContact CZ3-CB 4.47Å
1223L88.3Confident89Confident22 Ų2240.1 Ų40.112%0.11523%0.23CC..EExtended strand (participates in β ladder)trans-104.5125.2172.7-61.1171.7000109.2W1194 L1195 R1197 E1227 V1228W1194-L1223 WeakPolarHBondContact CA-O 3.24Å; L1195-L1223 HydrophobicContact CB-CB 4.23Å; L1195-L1223 PolarHBondContact N-O 3.24Å; L1195-L1223 PolarHBondContact O-N 2.61Å; R1197-L1223 HydrophobicContact CB-CD1 4.36Å; L1223-E1227 HydrophobicContact CB-CB 4.45Å; L1223-E1227 HydrophobicContact CD2-CB 4.42Å; L1223-V1228 HydrophobicContact CB-CG2 3.88Å
1224S86.5Confident88.7Confident12 Ų1241.3 Ų41.38%0.08424%0.237CC..  trans-67.6154.9175.564.20000111.7W1194 V1226 E1227 V1228W1194-S1224 VanDerWaalsContact CE3-CA 3.49Å; W1194-S1224 VanDerWaalsContact CZ3-CA 3.48Å; S1224-V1226 PolarHBondContact O-N 2.81Å; S1224-E1227 WeakPolarHBondContact CB-OE2 3.5Å; S1224-E1227 PolarHBondContact N-OE2 2.88Å; S1224-E1227 PolarHBondContact O-N 3.37Å; S1224-E1227 VanDerWaalsContact OG-CG 3.3Å; S1224-E1227 WeakPolarHBondContact OG-CG 3.21Å; S1224-E1227 PolarHBondContact OG-N 2.84Å; S1224-E1227 PolarHBondContact OG-OE2 3.22Å; S1224-V1228 VanDerWaalsContact O-CG2 3.28Å; S1224-V1228 WeakPolarHBondContact O-CG2 3.37Å; S1224-V1228 PolarHBondContact O-N 3.24Å
1225P83.2Confident88.3Confident10 Ų1041.2 Ų41.27%0.06524%0.238CC..Hα-helixtrans-51-33.4176-27.532.3000114G1191 A1229 F1281G1191-P1225 VanDerWaalsContact O-CG 3.31Å; G1191-P1225 WeakPolarHBondContact O-CG 3.45Å; P1225-A1229 WeakPolarHBondContact O-CB 3.42Å; P1225-A1229 PolarHBondContact O-N 2.94Å; P1225-F1281 HydrophobicContact CB-CE1 3.86Å; P1225-F1281 HydrophobicContact CB-CZ 3.65Å
1226V84.4Confident87.7Confident3 Ų341.8 Ų41.82%0.01824%0.242CC..Hα-helixtrans-73.9-43.6176.9-174.70000111.4S1224 V1228 A1229 V1230 F1281 F1286 T1294 L1297 L1298S1224-V1226 PolarHBondContact O-N 2.81Å; V1226-V1228 VanDerWaalsContact C-N 3.27Å; V1226-V1228 PolarHBondContact O-N 2.84Å; V1226-A1229 WeakPolarHBondContact O-CB 3.41Å; V1226-A1229 PolarHBondContact O-N 3.49Å; V1226-V1230 WeakPolarHBondContact O-CG2 3.5Å; V1226-V1230 PolarHBondContact O-N 3.46Å; V1226-F1281 HydrophobicContact CG2-CD1 3.88Å; V1226-F1281 HydrophobicContact CG2-CE1 3.92Å; V1226-F1281 HydrophobicContact CG2-CG 4.31Å; V1226-F1281 HydrophobicContact CG2-CZ 4.37Å; V1226-F1286 HydrophobicContact CG2-CE1 4.08Å; V1226-F1286 HydrophobicContact CG2-CZ 4.04Å; V1226-T1294 HydrophobicContact CB-CG2 4.35Å; V1226-T1294 HydrophobicContact CG2-CG2 3.85Å; V1226-L1297 HydrophobicContact CG1-CB 3.75Å; V1226-L1298 HydrophobicContact CG1-CD2 3.72Å; V1226-L1298 HydrophobicContact CG1-CG 4.11Å; V1226-L1298 HydrophobicContact CG2-CD2 4.13Å
1227E86.7Confident87.3Confident42 Ų4238.3 Ų38.320%0.19622%0.22CC..Hα-helixtrans-59.9-40.8173.5-73.8163.5143.200111.1L1223 S1224 A1229 V1230 E1231 K1293 L1297L1223-E1227 HydrophobicContact CB-CB 4.45Å; L1223-E1227 HydrophobicContact CD2-CB 4.42Å; S1224-E1227 WeakPolarHBondContact CB-OE2 3.5Å; S1224-E1227 PolarHBondContact N-OE2 2.88Å; S1224-E1227 PolarHBondContact O-N 3.37Å; S1224-E1227 VanDerWaalsContact OG-CG 3.3Å; S1224-E1227 WeakPolarHBondContact OG-CG 3.21Å; S1224-E1227 PolarHBondContact OG-N 2.84Å; S1224-E1227 PolarHBondContact OG-OE2 3.22Å; E1227-A1229 VanDerWaalsContact C-N 3.35Å; E1227-A1229 PolarHBondContact O-N 3.19Å; E1227-V1230 PolarHBondContact O-N 3.03Å; E1227-E1231 WeakPolarHBondContact O-CB 3.3Å; E1227-E1231 PolarHBondContact O-N 3.14Å; E1227-K1293 IonicContact OE1-NZ 3.18Å; E1227-K1293 PolarHBondContact OE1-NZ 3Å; E1227-L1297 HydrophobicContact CG-CD1 3.49Å; E1227-L1297 VanDerWaalsContact CG-CD1 3.49Å; E1227-L1297 HydrophobicContact CG-CD2 4.03Å; E1227-L1297 HydrophobicContact CG-CG 4.41Å
1228V86.7Confident86.9Confident11 Ų1141.9 Ų41.97%0.06723%0.228CC..Hα-helixtrans-62.8-41.8175.6176.80000111.2L1195 L1223 S1224 V1226 E1231 A1232 M1417L1195-V1228 HydrophobicContact CB-CG2 3.97Å; L1195-V1228 HydrophobicContact CD1-CB 4.35Å; L1195-V1228 HydrophobicContact CD1-CG1 3.74Å; L1195-V1228 HydrophobicContact CD1-CG2 3.64Å; L1195-V1228 HydrophobicContact CG-CG1 4.25Å; L1195-V1228 HydrophobicContact CG-CG2 3.65Å; L1223-V1228 HydrophobicContact CB-CG2 3.88Å; S1224-V1228 VanDerWaalsContact O-CG2 3.28Å; S1224-V1228 WeakPolarHBondContact O-CG2 3.37Å; S1224-V1228 PolarHBondContact O-N 3.24Å; V1226-V1228 VanDerWaalsContact C-N 3.27Å; V1226-V1228 PolarHBondContact O-N 2.84Å; V1228-E1231 PolarHBondContact O-N 3.38Å; V1228-A1232 VanDerWaalsContact O-CB 3.31Å; V1228-A1232 WeakPolarHBondContact O-CB 3.47Å; V1228-A1232 PolarHBondContact O-N 3.39Å; V1228-M1417 HydrophobicContact CG1-CE 3.51Å
1229A84.1Confident86.6Confident1 Ų140.9 Ų40.91%0.00823%0.225CC..Hα-helixtrans-64.2-44.5175.300000112.2P1225 V1226 E1227 E1231 A1232 M1233 Y1277 F1281 L1301P1225-A1229 WeakPolarHBondContact O-CB 3.42Å; P1225-A1229 PolarHBondContact O-N 2.94Å; V1226-A1229 WeakPolarHBondContact O-CB 3.41Å; V1226-A1229 PolarHBondContact O-N 3.49Å; E1227-A1229 VanDerWaalsContact C-N 3.35Å; E1227-A1229 PolarHBondContact O-N 3.19Å; A1229-E1231 VanDerWaalsContact C-N 3.35Å; A1229-E1231 PolarHBondContact O-N 3.38Å; A1229-A1232 PolarHBondContact O-N 3.04Å; A1229-M1233 VanDerWaalsContact O-CB 3.23Å; A1229-M1233 WeakPolarHBondContact O-CB 3.45Å; A1229-M1233 PolarHBondContact O-N 3.38Å; A1229-Y1277 HydrophobicContact CB-CD1 3.78Å; A1229-Y1277 HydrophobicContact CB-CE1 3.37Å; A1229-F1281 HydrophobicContact CB-CD2 4.43Å; A1229-F1281 HydrophobicContact CB-CE2 3.83Å; A1229-L1301 HydrophobicContact CB-CD1 4.25Å; A1229-L1301 HydrophobicContact CB-CD2 3.9Å
1230V87Confident86.4Confident17 Ų1738 Ų3810%0.10321%0.205CC..Hα-helixtrans-60.8-44.1175.7170.80000111V1226 E1227 T1234 L1297 V1300 L1301V1226-V1230 WeakPolarHBondContact O-CG2 3.5Å; V1226-V1230 PolarHBondContact O-N 3.46Å; E1227-V1230 PolarHBondContact O-N 3.03Å; V1230-T1234 VanDerWaalsContact O-CB 3.22Å; V1230-T1234 WeakPolarHBondContact O-CB 3.45Å; V1230-T1234 PolarHBondContact O-N 2.9Å; V1230-T1234 PolarHBondContact O-OG1 2.88Å; V1230-L1297 WeakPolarHBondContact CG2-O 3.45Å; V1230-V1300 HydrophobicContact CG1-CG1 3.75Å; V1230-V1300 HydrophobicContact CG2-CG1 4.45Å; V1230-L1301 HydrophobicContact CG2-CB 3.78Å; V1230-L1301 HydrophobicContact CG2-CD1 4.34Å
1231E87Confident86.1Confident85 Ų8538 Ų3840%0.39721%0.205SC..Hα-helixtrans-64.4-48.2178.3-171.5179.5124.900111.4R1197 E1227 V1228 A1229 M1233 T1234 S1235R1197-E1231 IonicContact CZ-OE1 2.92Å; R1197-E1231 IonicContact CZ-OE2 3.45Å; R1197-E1231 IonicContact NH1-OE1 3.68Å; R1197-E1231 PolarHBondContact NH1-OE1 3.16Å; R1197-E1231 IonicContact NH1-OE2 2.75Å; R1197-E1231 PolarHBondContact NH1-OE2 2.89Å; R1197-E1231 IonicContact NH2-OE1 3.3Å; R1197-E1231 PolarHBondContact NH2-OE1 3.41Å; R1197-E1231 IonicContact NH2-OE2 3.25Å; R1197-E1231 PolarHBondContact NH2-OE2 2.6Å; E1227-E1231 WeakPolarHBondContact O-CB 3.3Å; E1227-E1231 PolarHBondContact O-N 3.14Å; V1228-E1231 PolarHBondContact O-N 3.38Å; A1229-E1231 VanDerWaalsContact C-N 3.35Å; A1229-E1231 PolarHBondContact O-N 3.38Å; E1231-M1233 PolarHBondContact O-N 3.04Å; E1231-T1234 PolarHBondContact O-N 3.29Å; E1231-S1235 VanDerWaalsContact O-CB 3.3Å; E1231-S1235 WeakPolarHBondContact O-CB 3.49Å; E1231-S1235 PolarHBondContact O-N 3.37Å
1232A85.2Confident85.9Confident26 Ų2642.2 Ų42.222%0.21521%0.214CC..Hα-helixtrans-59.8-45.9177.100000111.4V1228 A1229 S1235 T1236V1228-A1232 VanDerWaalsContact O-CB 3.31Å; V1228-A1232 WeakPolarHBondContact O-CB 3.47Å; V1228-A1232 PolarHBondContact O-N 3.39Å; A1229-A1232 PolarHBondContact O-N 3.04Å; A1232-S1235 PolarHBondContact O-N 3.04Å; A1232-T1236 WeakPolarHBondContact O-CG2 3.43Å; A1232-T1236 PolarHBondContact O-N 3.35Å; A1232-T1236 PolarHBondContact O-OG1 3.1Å
1233M86.2Confident85.9Confident9 Ų940.9 Ų40.94%0.04421%0.206CC..Hα-helixtrans-63.2-46.9177.6-170.36059.200111.3A1229 E1231 S1235 T1236 V1237 I1274 Y1277 L1301 R1304 I1305 Q1308A1229-M1233 VanDerWaalsContact O-CB 3.23Å; A1229-M1233 WeakPolarHBondContact O-CB 3.45Å; A1229-M1233 PolarHBondContact O-N 3.38Å; E1231-M1233 PolarHBondContact O-N 3.04Å; M1233-S1235 VanDerWaalsContact C-N 3.3Å; M1233-S1235 PolarHBondContact O-N 3.26Å; M1233-T1236 WeakPolarHBondContact CA-OG1 3.44Å; M1233-T1236 PolarHBondContact O-N 2.8Å; M1233-T1236 PolarHBondContact O-OG1 2.74Å; M1233-V1237 VanDerWaalsContact O-CG2 3.3Å; M1233-V1237 WeakPolarHBondContact O-CG2 3.44Å; M1233-V1237 PolarHBondContact O-N 2.75Å; M1233-I1274 HydrophobicContact CE-CG2 4.02Å; M1233-Y1277 HydrophobicContact CE-CD2 3.88Å; M1233-Y1277 HydrophobicContact CE-CE2 3.38Å; M1233-L1301 HydrophobicContact CB-CD1 3.79Å; M1233-L1301 HydrophobicContact CG-CD1 4.11Å; M1233-R1304 HydrophobicContact CB-CB 4.37Å; M1233-R1304 HydrophobicContact CG-CB 3.61Å; M1233-I1305 HydrophobicContact CE-CD1 4.44Å; M1233-I1305 HydrophobicContact CE-CG1 3.76Å; M1233-I1305 HydrophobicContact CG-CG1 4.29Å; M1233-I1305 HydrophobicContact SD-CG1 4.06Å; M1233-Q1308 HydrophobicContact SD-CG 4.44Å; M1233-Q1308 PolarHBondContact SD-NE2 3.24Å
1234T86.8Confident85.7Confident33 Ų3339.9 Ų39.920%0.20220%0.201CC..Hα-helixtrans-61.1-40.3177.3-60.70000111.7V1230 E1231 V1237 K1238V1230-T1234 VanDerWaalsContact O-CB 3.22Å; V1230-T1234 WeakPolarHBondContact O-CB 3.45Å; V1230-T1234 PolarHBondContact O-N 2.9Å; V1230-T1234 PolarHBondContact O-OG1 2.88Å; E1231-T1234 PolarHBondContact O-N 3.29Å; T1234-V1237 PolarHBondContact O-N 2.73Å; T1234-K1238 HydrophobicContact CG2-CD 4.49Å; T1234-K1238 WeakPolarHBondContact O-CG 3.24Å; T1234-K1238 PolarHBondContact O-N 3.29Å
1235S85.7Confident85.6Confident50 Ų5042.6 Ų42.635%0.3522%0.215SC..Hα-helixtrans-63.1-47.6175.2-173.70000111.4E1231 A1232 M1233 V1237 K1238 D1239E1231-S1235 VanDerWaalsContact O-CB 3.3Å; E1231-S1235 WeakPolarHBondContact O-CB 3.49Å; E1231-S1235 PolarHBondContact O-N 3.37Å; A1232-S1235 PolarHBondContact O-N 3.04Å; M1233-S1235 VanDerWaalsContact C-N 3.3Å; M1233-S1235 PolarHBondContact O-N 3.26Å; S1235-V1237 VanDerWaalsContact C-N 3.32Å; S1235-V1237 PolarHBondContact O-N 3.28Å; S1235-K1238 PolarHBondContact O-N 3.32Å; S1235-D1239 PolarHBondContact O-N 2.95Å
1236T84.1Confident85.4Confident42 Ų4244.6 Ų44.626%0.25823%0.225SC..Hα-helixtrans-61.9-36.6177.557.90000113.5A1232 M1233 L1240 Q1308A1232-T1236 WeakPolarHBondContact O-CG2 3.43Å; A1232-T1236 PolarHBondContact O-N 3.35Å; A1232-T1236 PolarHBondContact O-OG1 3.1Å; M1233-T1236 WeakPolarHBondContact CA-OG1 3.44Å; M1233-T1236 PolarHBondContact O-N 2.8Å; M1233-T1236 PolarHBondContact O-OG1 2.74Å; T1236-L1240 WeakPolarHBondContact O-CB 3.43Å; T1236-L1240 PolarHBondContact O-N 2.85Å; T1236-Q1308 PolarHBondContact OG1-NE2 3.48Å; T1236-Q1308 VanDerWaalsContact OG1-NE2 3.16Å
1237V85.5Confident85.3Confident18 Ų1844.4 Ų44.411%0.10922%0.224CC..Hα-helixtrans-62.5-50.3173.4169.80000110.8M1233 T1234 S1235 D1239 L1240 E1241 Q1308 L1311M1233-V1237 VanDerWaalsContact O-CG2 3.3Å; M1233-V1237 WeakPolarHBondContact O-CG2 3.44Å; M1233-V1237 PolarHBondContact O-N 2.75Å; T1234-V1237 PolarHBondContact O-N 2.73Å; S1235-V1237 VanDerWaalsContact C-N 3.32Å; S1235-V1237 PolarHBondContact O-N 3.28Å; V1237-D1239 VanDerWaalsContact C-N 3.33Å; V1237-D1239 PolarHBondContact O-N 2.66Å; V1237-L1240 PolarHBondContact O-N 2.71Å; V1237-E1241 PolarHBondContact O-N 3.1Å; V1237-Q1308 HydrophobicContact CG2-CG 3.47Å; V1237-Q1308 VanDerWaalsContact CG2-CG 3.47Å; V1237-L1311 HydrophobicContact CG1-CD1 3.76Å
1238K85.5Confident85Confident137 Ų13746.5 Ų46.560%0.59623%0.234SC*.Hα-helixtrans-62.2-40.2179.1-75.4-178.2177.5-177.20112.3T1234 S1235 E1241 R1242T1234-K1238 HydrophobicContact CG2-CD 4.49Å; T1234-K1238 WeakPolarHBondContact O-CG 3.24Å; T1234-K1238 PolarHBondContact O-N 3.29Å; S1235-K1238 PolarHBondContact O-N 3.32Å; K1238-E1241 PolarHBondContact O-N 3.07Å; K1238-R1242 WeakPolarHBondContact O-CB 3.38Å; K1238-R1242 PolarHBondContact O-N 3.46Å
1239D85Confident84.4Confident56 Ų5652.3 Ų52.330%0.29926%0.264SS..Hα-helixtrans-61.3-44.3174.9-75.7-11.9000111.7S1235 V1237 R1242 L1243 K1261S1235-D1239 PolarHBondContact O-N 2.95Å; V1237-D1239 VanDerWaalsContact C-N 3.33Å; V1237-D1239 PolarHBondContact O-N 2.66Å; D1239-R1242 PolarHBondContact O-N 3.36Å; D1239-L1243 WeakPolarHBondContact O-CB 3.32Å; D1239-L1243 VanDerWaalsContact O-CG 3.31Å; D1239-L1243 WeakPolarHBondContact O-CG 3.49Å; D1239-L1243 PolarHBondContact O-N 3.22Å; D1239-K1261 IonicContact OD2-NZ 3.22Å; D1239-K1261 PolarHBondContact OD2-NZ 3.34Å
1240L89.2Confident83.8Confident0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-65.6-44.6179.3179.361.6000111T1236 V1237 R1242 L1243 I1244 L1258 K1261 L1262 M1265 L1311 L1312T1236-L1240 WeakPolarHBondContact O-CB 3.43Å; T1236-L1240 PolarHBondContact O-N 2.85Å; V1237-L1240 PolarHBondContact O-N 2.71Å; L1240-R1242 VanDerWaalsContact C-N 3.33Å; L1240-R1242 PolarHBondContact O-N 3.06Å; L1240-L1243 PolarHBondContact O-N 3.41Å; L1240-I1244 HydrophobicContact CD1-CD1 4.06Å; L1240-I1244 HydrophobicContact CD1-CG1 4.33Å; L1240-I1244 HydrophobicContact CG-CD1 3.85Å; L1240-I1244 WeakPolarHBondContact O-CB 3.1Å; L1240-I1244 VanDerWaalsContact O-CG1 3.27Å; L1240-I1244 WeakPolarHBondContact O-CG1 3.45Å; L1240-I1244 PolarHBondContact O-N 3.03Å; L1240-L1258 HydrophobicContact CD1-CD1 4.08Å; L1240-K1261 HydrophobicContact CD1-CG 4.39Å; L1240-L1262 HydrophobicContact CD1-CD2 4.1Å; L1240-M1265 HydrophobicContact CB-SD 4.35Å; L1240-M1265 HydrophobicContact CD2-CE 4.02Å; L1240-M1265 HydrophobicContact CD2-SD 3.96Å; L1240-L1311 HydrophobicContact CD2-CB 3.69Å; L1240-L1311 HydrophobicContact CG-CB 4.2Å; L1240-L1312 HydrophobicContact CD2-CD2 3.77Å; L1240-L1312 HydrophobicContact CD2-CG 3.92Å
1241E85Confident83.2Confident96 Ų9664.4 Ų64.445%0.44931%0.312SS..Hα-helixtrans-58.8-44.3175.7-173.7176.7-160.900111.7V1237 K1238 I1244 N1245 L1311V1237-E1241 PolarHBondContact O-N 3.1Å; K1238-E1241 PolarHBondContact O-N 3.07Å; E1241-I1244 PolarHBondContact O-N 3.32Å; E1241-N1245 VanDerWaalsContact O-CG 3.26Å; E1241-N1245 PolarHBondContact O-N 3.06Å; E1241-N1245 PolarHBondContact O-ND2 2.92Å; E1241-L1311 HydrophobicContact CB-CD1 4.34Å; E1241-L1311 HydrophobicContact CB-CD2 4.36Å; E1241-L1311 HydrophobicContact CG-CD2 4.41Å
1242R85Confident82.4Confident157 Ų15768.7 Ų68.759%0.59233%0.332SS*.Hα-helixtrans-58.9-50.4173.8-179.5-174.5170.11754111.6K1238 D1239 L1240 I1244 N1245 D1246K1238-R1242 WeakPolarHBondContact O-CB 3.38Å; K1238-R1242 PolarHBondContact O-N 3.46Å; D1239-R1242 PolarHBondContact O-N 3.36Å; L1240-R1242 VanDerWaalsContact C-N 3.33Å; L1240-R1242 PolarHBondContact O-N 3.06Å; R1242-I1244 VanDerWaalsContact C-N 3.27Å; R1242-I1244 PolarHBondContact O-N 3.46Å; R1242-N1245 PolarHBondContact O-N 3.19Å; R1242-D1246 IonicContact NE-OD2 2.96Å; R1242-D1246 WeakPolarHBondContact O-CB 3.45Å; R1242-D1246 VanDerWaalsContact O-CG 3.28Å; R1242-D1246 PolarHBondContact O-N 2.84Å
1243L86.4Confident81.7Confident32 Ų3278 Ų7817%0.16836%0.361CS..Hα-helixtrans-63.2-33.6-179-74.1173.9000113D1239 L1240 A1247 P1257 L1258 K1261D1239-L1243 WeakPolarHBondContact O-CB 3.32Å; D1239-L1243 VanDerWaalsContact O-CG 3.31Å; D1239-L1243 WeakPolarHBondContact O-CG 3.49Å; D1239-L1243 PolarHBondContact O-N 3.22Å; L1240-L1243 PolarHBondContact O-N 3.41Å; L1243-A1247 WeakPolarHBondContact O-CB 3.5Å; L1243-A1247 PolarHBondContact O-N 2.97Å; L1243-P1257 HydrophobicContact CD2-CB 3.71Å; L1243-L1258 HydrophobicContact CB-CD1 4.08Å; L1243-K1261 HydrophobicContact CD1-CB 3.57Å; L1243-K1261 HydrophobicContact CD1-CD 4.27Å; L1243-K1261 HydrophobicContact CD1-CG 3.82Å
1244I85.4Confident81.1Confident1 Ų178.3 Ų78.31%0.00536%0.364CS..Hα-helixtrans-65.6-50.5174-76.1166.3000110.5L1240 E1241 R1242 D1246 A1247 E1248 L1258 L1311 K1314 L1318L1240-I1244 HydrophobicContact CD1-CD1 4.06Å; L1240-I1244 HydrophobicContact CD1-CG1 4.33Å; L1240-I1244 HydrophobicContact CG-CD1 3.85Å; L1240-I1244 WeakPolarHBondContact O-CB 3.1Å; L1240-I1244 VanDerWaalsContact O-CG1 3.27Å; L1240-I1244 WeakPolarHBondContact O-CG1 3.45Å; L1240-I1244 PolarHBondContact O-N 3.03Å; E1241-I1244 PolarHBondContact O-N 3.32Å; R1242-I1244 VanDerWaalsContact C-N 3.27Å; R1242-I1244 PolarHBondContact O-N 3.46Å; I1244-D1246 VanDerWaalsContact C-N 3.29Å; I1244-D1246 PolarHBondContact O-N 2.93Å; I1244-A1247 PolarHBondContact O-N 3.18Å; I1244-A1247 VanDerWaalsContact O-N 3.12Å; I1244-E1248 PolarHBondContact O-N 2.8Å; I1244-L1258 HydrophobicContact CG1-CD1 4.09Å; I1244-L1311 HydrophobicContact CD1-CB 4.05Å; I1244-L1311 HydrophobicContact CD1-CD2 4.18Å; I1244-L1311 WeakPolarHBondContact CD1-O 3.28Å; I1244-K1314 HydrophobicContact CG2-CD 3.82Å; I1244-K1314 HydrophobicContact CG2-CG 4.12Å; I1244-L1318 HydrophobicContact CB-CD1 4.45Å; I1244-L1318 HydrophobicContact CG2-CD1 3.7Å
1245N82.8Confident80.8Confident68 Ų6877.5 Ų77.536%0.36436%0.359SS..Hα-helixtrans-61.2-40.4177.7-66.2-25.6000111.1E1241 R1242 A1247 E1248 L1249E1241-N1245 VanDerWaalsContact O-CG 3.26Å; E1241-N1245 PolarHBondContact O-N 3.06Å; E1241-N1245 PolarHBondContact O-ND2 2.92Å; R1242-N1245 PolarHBondContact O-N 3.19Å; N1245-A1247 VanDerWaalsContact C-N 3.31Å; N1245-A1247 PolarHBondContact O-N 2.96Å; N1245-E1248 PolarHBondContact O-N 3.01Å; N1245-L1249 PolarHBondContact O-N 2.92Å; N1245-L1249 VanDerWaalsContact O-N 3.09Å
1246D80Confident80.7Confident52 Ų5283.3 Ų83.328%0.27838%0.378SS..Hα-helixtrans-64.4-34175.9-73.5-18.4000112.2R1242 I1244 H1250 S1254R1242-D1246 IonicContact NE-OD2 2.96Å; R1242-D1246 WeakPolarHBondContact O-CB 3.45Å; R1242-D1246 VanDerWaalsContact O-CG 3.28Å; R1242-D1246 PolarHBondContact O-N 2.84Å; I1244-D1246 VanDerWaalsContact C-N 3.29Å; I1244-D1246 PolarHBondContact O-N 2.93Å; D1246-H1250 WeakPolarHBondContact O-CA 3.32Å; D1246-H1250 WeakPolarHBondContact O-CB 3.47Å; D1246-H1250 PolarHBondContact O-N 3.27Å; D1246-S1254 WeakPolarHBondContact O-CB 3.35Å; D1246-S1254 PolarHBondContact O-OG 3.08Å
1247A81.4Confident80.7Confident0 Ų084.4 Ų84.40%039%0.385CS..Hα-helixtrans-76-31.6175.400000113.3L1243 I1244 N1245 R1251 L1258 L1322L1243-A1247 WeakPolarHBondContact O-CB 3.5Å; L1243-A1247 PolarHBondContact O-N 2.97Å; I1244-A1247 PolarHBondContact O-N 3.18Å; I1244-A1247 VanDerWaalsContact O-N 3.12Å; N1245-A1247 VanDerWaalsContact C-N 3.31Å; N1245-A1247 PolarHBondContact O-N 2.96Å; A1247-R1251 WeakPolarHBondContact O-CA 3.34Å; A1247-R1251 PolarHBondContact O-N 2.85Å; A1247-L1258 HydrophobicContact CB-CD2 3.74Å; A1247-L1322 HydrophobicContact CB-CD1 4.24Å
1248E80.2Confident80.9Confident86 Ų8683.6 Ų83.640%0.40238%0.38SS..Hα-helixtrans-66-41.7172.7-74.4-176.5148.500111.7I1244 N1245 K1314 L1318I1244-E1248 PolarHBondContact O-N 2.8Å; N1245-E1248 PolarHBondContact O-N 3.01Å; E1248-K1314 WeakPolarHBondContact OE1-CE 3.13Å; E1248-K1314 IonicContact OE1-NZ 2.66Å; E1248-K1314 PolarHBondContact OE1-NZ 2.8Å; E1248-K1314 IonicContact OE2-NZ 3.13Å; E1248-K1314 PolarHBondContact OE2-NZ 3.44Å; E1248-L1318 HydrophobicContact CG-CD1 3.69Å; E1248-L1318 HydrophobicContact CG-CD2 3.79Å; E1248-L1318 HydrophobicContact CG-CG 4.4Å
1249L75.4Confident81Confident133 Ų13377.6 Ų77.670%0.69636%0.356SS*.Hα-helixtrans-75.4-46.6175.5-92116.1000113.1N1245N1245-L1249 PolarHBondContact O-N 2.92Å; N1245-L1249 VanDerWaalsContact O-N 3.09Å
1250H71.3Confident81.1Confident107 Ų10777.7 Ų77.750%0.49537%0.365SS..SBendtrans-120.860.1-168.7-55.597.9000112.6D1246 E1252 R1253 S1254D1246-H1250 WeakPolarHBondContact O-CA 3.32Å; D1246-H1250 WeakPolarHBondContact O-CB 3.47Å; D1246-H1250 PolarHBondContact O-N 3.27Å; H1250-E1252 PolarHBondContact O-N 3.18Å; H1250-E1252 VanDerWaalsContact O-N 3.1Å; H1250-R1253 PolarHBondContact O-N 3.22Å; H1250-S1254 PolarHBondContact O-N 3.07Å; H1250-S1254 PolarHBondContact O-OG 3.21Å
1251R73.6Confident81.1Confident165 Ų16578.6 Ų78.662%0.62337%0.369SS*.THydrogen-bonded Turntrans-23.3-66.9-176.9-72-159.4173.9172.5-0.2116.3A1247 L1322A1247-R1251 WeakPolarHBondContact O-CA 3.34Å; A1247-R1251 PolarHBondContact O-N 2.85Å; R1251-L1322 HydrophobicContact CB-CD2 3.44Å; R1251-L1322 VanDerWaalsContact CB-CD2 3.44Å; R1251-L1322 HydrophobicContact CG-CD2 3.51Å
1252E70.7Confident81.3Confident175 Ų17574 Ų7482%0.81835%0.347SS*.THydrogen-bonded Turntrans-82.2-33.3-171.7-67-179.6177.100114.6H1250H1250-E1252 PolarHBondContact O-N 3.18Å; H1250-E1252 VanDerWaalsContact O-N 3.1Å
1253R70.6Confident81.4Confident220 Ų22070.4 Ų70.483%0.8334%0.337SS*.THydrogen-bonded Turntrans-76-37.5-173.9-69.9-175.7-178.6-178.10.7112.3H1250 L1255H1250-R1253 PolarHBondContact O-N 3.22Å; R1253-L1255 VanDerWaalsContact C-N 3.31Å
1254S73.1Confident81.2Confident17 Ų1771 Ų7112%0.11935%0.351CS..SBendtrans-83.3-7.6-176.6-54.60000113.5D1246 H1250 K1256 P1257 L1258D1246-S1254 WeakPolarHBondContact O-CB 3.35Å; D1246-S1254 PolarHBondContact O-OG 3.08Å; H1250-S1254 PolarHBondContact O-N 3.07Å; H1250-S1254 PolarHBondContact O-OG 3.21Å; S1254-K1256 PolarHBondContact O-N 2.91Å; S1254-P1257 WeakPolarHBondContact O-CD 3.42Å; S1254-L1258 WeakPolarHBondContact O-CB 3.48Å; S1254-L1258 PolarHBondContact O-N 2.63Å
1255L81.3Confident81.3Confident15 Ų1572.2 Ų72.28%0.07936%0.357CS..Hα-helixtrans-64-40.3-176-175.361.8000112.7R1253 L1258 A1259 H1319 L1322R1253-L1255 VanDerWaalsContact C-N 3.31Å; L1255-L1258 PolarHBondContact O-N 3.15Å; L1255-A1259 VanDerWaalsContact O-CB 3.23Å; L1255-A1259 WeakPolarHBondContact O-CB 3.48Å; L1255-A1259 PolarHBondContact O-N 2.89Å; L1255-H1319 HydrophobicContact CD1-CB 4.48Å; L1255-L1322 HydrophobicContact CD1-CB 3.79Å; L1255-L1322 HydrophobicContact CD1-CD1 4.38Å; L1255-L1322 HydrophobicContact CD2-CB 4.14Å; L1255-L1322 HydrophobicContact CG-CB 4.48Å
1256K82.6Confident81.4Confident173 Ų17369.7 Ų69.775%0.75234%0.343SS*.Hα-helixtrans-66-50.1-178.3-71.8-179.9-178.7179.90112.7S1254 L1258 A1259 A1260S1254-K1256 PolarHBondContact O-N 2.91Å; K1256-L1258 VanDerWaalsContact C-N 3.34Å; K1256-L1258 PolarHBondContact O-N 3.31Å; K1256-A1259 PolarHBondContact O-N 3.21Å; K1256-A1260 PolarHBondContact O-N 2.89Å
1257P85.5Confident81.2Confident65 Ų6570.9 Ų70.942%0.42235%0.347SS..Hα-helixtrans-59.1-42.1173.4-26.935.3000113.4L1243 S1254 A1260 K1261L1243-P1257 HydrophobicContact CD2-CB 3.71Å; S1254-P1257 WeakPolarHBondContact O-CD 3.42Å; P1257-A1260 PolarHBondContact O-N 2.95Å; P1257-K1261 PolarHBondContact O-N 2.86Å
1258L88.8Confident80.6Confident0 Ų073.3 Ų73.30%036%0.363CS..Hα-helixtrans-62-47.7176.9179.362.5000111.1L1240 L1243 I1244 A1247 S1254 L1255 K1256 A1260 K1261 L1262 L1318L1240-L1258 HydrophobicContact CD1-CD1 4.08Å; L1243-L1258 HydrophobicContact CB-CD1 4.08Å; I1244-L1258 HydrophobicContact CG1-CD1 4.09Å; A1247-L1258 HydrophobicContact CB-CD2 3.74Å; S1254-L1258 WeakPolarHBondContact O-CB 3.48Å; S1254-L1258 PolarHBondContact O-N 2.63Å; L1255-L1258 PolarHBondContact O-N 3.15Å; K1256-L1258 VanDerWaalsContact C-N 3.34Å; K1256-L1258 PolarHBondContact O-N 3.31Å; L1258-A1260 VanDerWaalsContact C-N 3.32Å; L1258-A1260 PolarHBondContact O-N 2.89Å; L1258-K1261 PolarHBondContact O-N 3.22Å; L1258-L1262 HydrophobicContact CD1-CD1 4.16Å; L1258-L1262 HydrophobicContact CD1-CG 4.09Å; L1258-L1262 HydrophobicContact CG-CD1 3.92Å; L1258-L1262 HydrophobicContact CG-CG 4.29Å; L1258-L1262 WeakPolarHBondContact O-CB 3.32Å; L1258-L1262 VanDerWaalsContact O-CG 3.27Å; L1258-L1262 WeakPolarHBondContact O-CG 3.12Å; L1258-L1262 PolarHBondContact O-N 3.27Å; L1258-L1318 HydrophobicContact CD2-CB 4.49Å
1259A87.7Confident79.7Confident11 Ų1174 Ų749%0.09138%0.384CS..Hα-helixtrans-57.5-43.9176.900000112.1L1255 K1256 L1262 Q1263 F1330L1255-A1259 VanDerWaalsContact O-CB 3.23Å; L1255-A1259 WeakPolarHBondContact O-CB 3.48Å; L1255-A1259 PolarHBondContact O-N 2.89Å; K1256-A1259 PolarHBondContact O-N 3.21Å; A1259-L1262 PolarHBondContact O-N 3.21Å; A1259-Q1263 WeakPolarHBondContact O-CB 3.37Å; A1259-Q1263 PolarHBondContact O-N 2.94Å; A1259-F1330 HydrophobicContact CB-CE1 4.04Å; A1259-F1330 HydrophobicContact CB-CZ 4.48Å
1260A86.6Confident78.7Confident58 Ų5873.4 Ų73.448%0.47939%0.385SS..Hα-helixtrans-64.8-40.9177.300000112.6K1256 P1257 L1258 G1264K1256-A1260 PolarHBondContact O-N 2.89Å; P1257-A1260 PolarHBondContact O-N 2.95Å; L1258-A1260 VanDerWaalsContact C-N 3.32Å; L1258-A1260 PolarHBondContact O-N 2.89Å; A1260-G1264 PolarHBondContact O-N 3.44Å
1261K89.4Confident78Confident19 Ų1972.9 Ų72.98%0.08338%0.384CS..Hα-helixtrans-67.5-44.7176.6-167.878.5175-167.20111.4D1239 L1240 L1243 P1257 L1258 Q1263 G1264 M1265D1239-K1261 IonicContact OD2-NZ 3.22Å; D1239-K1261 PolarHBondContact OD2-NZ 3.34Å; L1240-K1261 HydrophobicContact CD1-CG 4.39Å; L1243-K1261 HydrophobicContact CD1-CB 3.57Å; L1243-K1261 HydrophobicContact CD1-CD 4.27Å; L1243-K1261 HydrophobicContact CD1-CG 3.82Å; P1257-K1261 PolarHBondContact O-N 2.86Å; L1258-K1261 PolarHBondContact O-N 3.22Å; K1261-Q1263 PolarHBondContact O-N 2.8Å; K1261-G1264 PolarHBondContact O-N 2.72Å; K1261-M1265 HydrophobicContact CG-SD 4.07Å; K1261-M1265 WeakPolarHBondContact O-CG 3.36Å; K1261-M1265 PolarHBondContact O-N 3.45Å
1262L89.1Confident77.5Confident0 Ų066.1 Ų66.10%037%0.366CS..Hα-helixtrans-59.4-46.9176.3-71.2173.8000111.2L1240 L1258 A1259 M1265 L1266 L1312 V1316 H1319 L1334L1240-L1262 HydrophobicContact CD1-CD2 4.1Å; L1258-L1262 HydrophobicContact CD1-CD1 4.16Å; L1258-L1262 HydrophobicContact CD1-CG 4.09Å; L1258-L1262 HydrophobicContact CG-CD1 3.92Å; L1258-L1262 HydrophobicContact CG-CG 4.29Å; L1258-L1262 WeakPolarHBondContact O-CB 3.32Å; L1258-L1262 VanDerWaalsContact O-CG 3.27Å; L1258-L1262 WeakPolarHBondContact O-CG 3.12Å; L1258-L1262 PolarHBondContact O-N 3.27Å; A1259-L1262 PolarHBondContact O-N 3.21Å; L1262-M1265 PolarHBondContact O-N 3.24Å; L1262-L1266 WeakPolarHBondContact O-CB 3.25Å; L1262-L1266 WeakPolarHBondContact O-CG 3.35Å; L1262-L1266 PolarHBondContact O-N 2.99Å; L1262-L1312 HydrophobicContact CD2-CD2 3.8Å; L1262-V1316 HydrophobicContact CD2-CG2 4.42Å; L1262-H1319 HydrophobicContact CD1-CB 4.2Å; L1262-L1334 HydrophobicContact CB-CD1 4.5Å; L1262-L1334 HydrophobicContact CB-CD2 4.26Å; L1262-L1334 HydrophobicContact CD1-CD1 4.5Å
1263Q86.9Confident77.7Confident82 Ų8259 Ų5938%0.38334%0.339SS..Hα-helixtrans-61.3-45.7175.7-173-179.79.700111.5A1259 K1261 M1265 L1266 Q1267 F1330 L1334A1259-Q1263 WeakPolarHBondContact O-CB 3.37Å; A1259-Q1263 PolarHBondContact O-N 2.94Å; K1261-Q1263 PolarHBondContact O-N 2.8Å; Q1263-M1265 VanDerWaalsContact C-N 3.27Å; Q1263-M1265 PolarHBondContact O-N 3.04Å; Q1263-L1266 PolarHBondContact O-N 3.22Å; Q1263-Q1267 CarbonylContact O-C 3.59Å; Q1263-Q1267 VanDerWaalsContact O-C 3.32Å; Q1263-Q1267 VanDerWaalsContact O-CA 3.31Å; Q1263-Q1267 WeakPolarHBondContact O-CA 3.44Å; Q1263-Q1267 WeakPolarHBondContact O-CB 3.49Å; Q1263-Q1267 PolarHBondContact O-N 2.7Å; Q1263-F1330 HydrophobicContact CB-CE2 4.38Å; Q1263-F1330 HydrophobicContact CB-CZ 4.15Å; Q1263-F1330 HydrophobicContact CG-CE2 4.27Å; Q1263-L1334 HydrophobicContact CB-CD2 4.44Å
1264G84Confident78.1Confident43 Ų4349.2 Ų49.244%0.44330%0.303SS..Hα-helixtrans-63.9-29.2179.700000114.2A1260 K1261 P1268A1260-G1264 PolarHBondContact O-N 3.44Å; K1261-G1264 PolarHBondContact O-N 2.72Å; G1264-P1268 WeakPolarHBondContact O-CA 3.28Å
1265M86.5Confident78.4Confident27 Ų2753.6 Ų53.613%0.13332%0.322CS..Hα-helixtrans-85.6-38.8178.5-68.4179.67000112.9L1240 K1261 L1262 Q1263 Q1308 L1312L1240-M1265 HydrophobicContact CB-SD 4.35Å; L1240-M1265 HydrophobicContact CD2-CE 4.02Å; L1240-M1265 HydrophobicContact CD2-SD 3.96Å; K1261-M1265 HydrophobicContact CG-SD 4.07Å; K1261-M1265 WeakPolarHBondContact O-CG 3.36Å; K1261-M1265 PolarHBondContact O-N 3.45Å; L1262-M1265 PolarHBondContact O-N 3.24Å; Q1263-M1265 VanDerWaalsContact C-N 3.27Å; Q1263-M1265 PolarHBondContact O-N 3.04Å; M1265-Q1308 HydrophobicContact CE-CB 4.4Å; M1265-Q1308 HydrophobicContact CE-CG 4.02Å; M1265-Q1308 VanDerWaalsContact CE-NE2 3.27Å; M1265-L1312 HydrophobicContact CB-CD2 4.09Å; M1265-L1312 HydrophobicContact CE-CD1 4.47Å; M1265-L1312 HydrophobicContact CE-CD2 4.11Å; M1265-L1312 HydrophobicContact CE-CG 4.43Å; M1265-L1312 HydrophobicContact SD-CD2 4.16Å
1266L84.9Confident78.3Confident16 Ų1654.8 Ų54.88%0.08433%0.328CS..Hα-helixtrans-84.9-29.2-179-66176.1000113.1L1262 Q1263 L1312 V1316 L1334 C1337 F1338 Y1341L1262-L1266 WeakPolarHBondContact O-CB 3.25Å; L1262-L1266 WeakPolarHBondContact O-CG 3.35Å; L1262-L1266 PolarHBondContact O-N 2.99Å; Q1263-L1266 PolarHBondContact O-N 3.22Å; L1266-L1312 HydrophobicContact CD2-CD1 4.16Å; L1266-L1312 HydrophobicContact CD2-CD2 4.44Å; L1266-L1312 HydrophobicContact CG-CD2 4.44Å; L1266-V1316 HydrophobicContact CD1-CG2 4.18Å; L1266-L1334 HydrophobicContact CD1-CB 4.47Å; L1266-L1334 HydrophobicContact CD1-CD2 4.03Å; L1266-C1337 HydrophobicContact CB-CB 3.96Å; L1266-F1338 HydrophobicContact CD1-CB 3.95Å; L1266-F1338 HydrophobicContact CD2-CB 4.09Å; L1266-F1338 HydrophobicContact CD2-CD2 4.21Å; L1266-Y1341 HydrophobicContact CD2-CD1 4.25Å; L1266-Y1341 HydrophobicContact CD2-CG 4.04Å
1267Q76.7Confident78.3Confident77 Ų7747.8 Ų47.836%0.3630%0.297SS..SBendtrans-130.672174.9-72.6-169.8-25.700110.3Q1263 A1269 C1337Q1263-Q1267 CarbonylContact O-C 3.59Å; Q1263-Q1267 VanDerWaalsContact O-C 3.32Å; Q1263-Q1267 VanDerWaalsContact O-CA 3.31Å; Q1263-Q1267 WeakPolarHBondContact O-CA 3.44Å; Q1263-Q1267 WeakPolarHBondContact O-CB 3.49Å; Q1263-Q1267 PolarHBondContact O-N 2.7Å; Q1267-A1269 PolarHBondContact O-N 3.41Å; Q1267-C1337 HydrophobicContact CG-CB 4.45Å; Q1267-C1337 PolarHBondContact NE2-SG 3.46Å
1268P67.5Low78.1Confident50 Ų5046.5 Ų46.533%0.32529%0.286SS..  trans-67.392.9175.527.2-32.2000110.1G1264 V1270G1264-P1268 WeakPolarHBondContact O-CA 3.28Å; P1268-V1270 VanDerWaalsContact C-N 3.26Å; P1268-V1270 PolarHBondContact O-N 2.82Å
1269A61.7Low77.5Confident102 Ų10253.4 Ų53.484%0.84332%0.316SS*.SBendtrans-69.7-24.4178.700000113Q1267Q1267-A1269 PolarHBondContact O-N 3.41Å
1270V53.9Low77Confident119 Ų11953.3 Ų53.372%0.72131%0.314SS*.SBendtrans-128.7133-177.7-164.70000107P1268P1268-V1270 VanDerWaalsContact C-N 3.26Å; P1268-V1270 PolarHBondContact O-N 2.82Å
1271M57.3Low76.7Confident96 Ų9650.6 Ų50.647%0.47329%0.291SS..SBendtrans76.419.4178-49.7-61.5-67.300118F1190 G1273 N1276 T1419F1190-M1271 HydrophobicContact CD2-CE 4.41Å; F1190-M1271 HydrophobicContact CE2-CE 3.75Å; M1271-G1273 PolarHBondContact O-N 2.93Å; M1271-N1276 PolarHBondContact O-ND2 2.98Å; M1271-T1419 HydrophobicContact CE-CG2 3.96Å; M1271-T1419 HydrophobicContact SD-CG2 3.99Å
1272G63.5Low76.2Confident24 Ų2452 Ų5225%0.24730%0.297CS..  trans64.4-1.4162.900000117.9Q1275G1272-Q1275 WeakPolarHBondContact O-CB 3.18Å; G1272-Q1275 PolarHBondContact O-N 3.27Å
1273G74.1Confident75.6Confident24 Ų2454.1 Ų54.125%0.24731%0.309CS..THydrogen-bonded Turntrans56-146.1-179.800000113.6M1271 Q1275 N1276M1271-G1273 PolarHBondContact O-N 2.93Å; G1273-Q1275 PolarHBondContact O-N 2.71Å; G1273-N1276 PolarHBondContact O-N 3.27Å
1274I79.7Confident74.6Confident15 Ų1558.2 Ų58.28%0.07733%0.328CS..Hα-helixtrans-62.8-21.1178.360169.9000113.5M1233 N1276 Y1277 E1278 I1305 Y1341 V1345M1233-I1274 HydrophobicContact CE-CG2 4.02Å; I1274-N1276 PolarHBondContact O-N 3.15Å; I1274-Y1277 WeakPolarHBondContact O-CB 3.31Å; I1274-Y1277 PolarHBondContact O-N 2.7Å; I1274-E1278 PolarHBondContact O-N 3.37Å; I1274-I1305 HydrophobicContact CD1-CG2 4.36Å; I1274-I1305 HydrophobicContact CG2-CD1 4.31Å; I1274-I1305 HydrophobicContact CG2-CG1 4.17Å; I1274-I1305 HydrophobicContact CG2-CG2 4.19Å; I1274-Y1341 HydrophobicContact CD1-CD2 4.35Å; I1274-Y1341 HydrophobicContact CD1-CE2 3.56Å; I1274-Y1341 HydrophobicContact CG1-CE2 4.08Å; I1274-V1345 HydrophobicContact CD1-CG2 3.7Å
1275Q78.7Confident73.9Confident110 Ų11059.3 Ų59.351%0.51433%0.329SS..Hα-helixtrans-65.1-27.5179.6-58.4174.6-8.100111.8G1272 G1273 E1278 K1279G1272-Q1275 WeakPolarHBondContact O-CB 3.18Å; G1272-Q1275 PolarHBondContact O-N 3.27Å; G1273-Q1275 PolarHBondContact O-N 2.71Å; Q1275-E1278 PolarHBondContact O-N 2.81Å; Q1275-K1279 WeakPolarHBondContact O-CB 3.18Å; Q1275-K1279 VanDerWaalsContact O-CG 3.24Å; Q1275-K1279 WeakPolarHBondContact O-CG 3.23Å; Q1275-K1279 PolarHBondContact O-N 3.18Å
1276N79.4Confident73.1Confident40 Ų4059.2 Ų59.221%0.21433%0.328CS..Hα-helixtrans-68.7-36.5173.7-81.10.6000111.8M1271 G1273 I1274 V1280M1271-N1276 PolarHBondContact O-ND2 2.98Å; G1273-N1276 PolarHBondContact O-N 3.27Å; I1274-N1276 PolarHBondContact O-N 3.15Å; N1276-V1280 WeakPolarHBondContact O-CB 3.42Å; N1276-V1280 VanDerWaalsContact O-CG2 3.24Å; N1276-V1280 WeakPolarHBondContact O-CG2 3.43Å; N1276-V1280 PolarHBondContact O-N 3.17Å
1277Y82.4Confident72.2Confident25 Ų2560.5 Ų60.510%0.09834%0.34CS..Hα-helixtrans-69.1-39.9172.2-55.9-51.2000111.3F1190 A1229 M1233 I1274 V1280 F1281 F1282 L1301F1190-Y1277 HydrophobicContact CD1-CE1 4.41Å; F1190-Y1277 HydrophobicContact CE1-CD1 4.29Å; F1190-Y1277 AromaticContact CE1-CE1 3.65Å; F1190-Y1277 HydrophobicContact CE1-CE1 3.65Å; F1190-Y1277 HydrophobicContact CZ-CE1 4.29Å; A1229-Y1277 HydrophobicContact CB-CD1 3.78Å; A1229-Y1277 HydrophobicContact CB-CE1 3.37Å; M1233-Y1277 HydrophobicContact CE-CD2 3.88Å; M1233-Y1277 HydrophobicContact CE-CE2 3.38Å; I1274-Y1277 WeakPolarHBondContact O-CB 3.31Å; I1274-Y1277 PolarHBondContact O-N 2.7Å; Y1277-V1280 PolarHBondContact O-N 2.71Å; Y1277-F1281 AromaticContact CD1-CD2 3.88Å; Y1277-F1281 HydrophobicContact CD1-CD2 3.88Å; Y1277-F1281 AromaticContact CD1-CE2 3.76Å; Y1277-F1281 HydrophobicContact CD1-CE2 3.76Å; Y1277-F1281 HydrophobicContact CE1-CE2 4.37Å; Y1277-F1281 WeakPolarHBondContact O-CA 3.2Å; Y1277-F1281 WeakPolarHBondContact O-CB 3.28Å; Y1277-F1281 PolarHBondContact O-N 2.93Å; Y1277-F1282 PolarHBondContact O-N 3.4Å; Y1277-L1301 HydrophobicContact CG-CD2 4.38Å
1278E81Confident71.8Confident39 Ų3962.3 Ų62.318%0.18236%0.36CS..Hα-helixtrans-59.4-49.1177.2-76.5164.7-177.100112.7I1274 Q1275 V1280 F1282 H1344 Y1349I1274-E1278 PolarHBondContact O-N 3.37Å; Q1275-E1278 PolarHBondContact O-N 2.81Å; E1278-V1280 VanDerWaalsContact C-N 3.33Å; E1278-V1280 PolarHBondContact O-N 2.74Å; E1278-F1282 HydrophobicContact CB-CD2 4.23Å; E1278-F1282 HydrophobicContact CG-CD2 3.64Å; E1278-F1282 HydrophobicContact CG-CE2 4.21Å; E1278-F1282 PolarHBondContact O-N 2.89Å; E1278-H1344 IonicContact OE1-CD2 3.68Å; E1278-H1344 IonicContact OE1-CE1 3.71Å; E1278-H1344 IonicContact OE1-NE2 2.75Å; E1278-H1344 PolarHBondContact OE1-NE2 2.87Å; E1278-H1344 IonicContact OE2-CE1 3.72Å; E1278-H1344 IonicContact OE2-NE2 3.26Å; E1278-H1344 PolarHBondContact OE2-NE2 3.24Å; E1278-Y1349 WeakPolarHBondContact CG-OH 3.36Å; E1278-Y1349 PolarHBondContact OE1-OH 3.49Å
1279K77.6Confident71.8Confident145 Ų14565.5 Ų65.563%0.6337%0.369SS*.Hα-helixtrans-64.1-37.6-179.2-72.9173.3-177.4-177.90112.7Q1275 N1283Q1275-K1279 WeakPolarHBondContact O-CB 3.18Å; Q1275-K1279 VanDerWaalsContact O-CG 3.24Å; Q1275-K1279 WeakPolarHBondContact O-CG 3.23Å; Q1275-K1279 PolarHBondContact O-N 3.18Å; K1279-N1283 PolarHBondContact O-ND2 3.01Å
1280V75.9Confident72.1Confident8 Ų862.1 Ų62.15%0.04834%0.339CS..Hα-helixtrans-93.3-48.1-171.21780000112.2F1190 N1276 Y1277 E1278 N1283F1190-V1280 HydrophobicContact CB-CG2 4.18Å; N1276-V1280 WeakPolarHBondContact O-CB 3.42Å; N1276-V1280 VanDerWaalsContact O-CG2 3.24Å; N1276-V1280 WeakPolarHBondContact O-CG2 3.43Å; N1276-V1280 PolarHBondContact O-N 3.17Å; Y1277-V1280 PolarHBondContact O-N 2.71Å; E1278-V1280 VanDerWaalsContact C-N 3.33Å; E1278-V1280 PolarHBondContact O-N 2.74Å; V1280-N1283 PolarHBondContact O-ND2 3.03Å
1281F80.2Confident73.2Confident1 Ų160.8 Ų60.80%0.00433%0.328CS..Hα-helixtrans-105.7-25.3-168.1-58.5-44.4000114.7F1190 P1225 V1226 A1229 Y1277 F1286 L1298 L1301F1190-F1281 HydrophobicContact CD1-CE2 4.47Å; P1225-F1281 HydrophobicContact CB-CE1 3.86Å; P1225-F1281 HydrophobicContact CB-CZ 3.65Å; V1226-F1281 HydrophobicContact CG2-CD1 3.88Å; V1226-F1281 HydrophobicContact CG2-CE1 3.92Å; V1226-F1281 HydrophobicContact CG2-CG 4.31Å; V1226-F1281 HydrophobicContact CG2-CZ 4.37Å; A1229-F1281 HydrophobicContact CB-CD2 4.43Å; A1229-F1281 HydrophobicContact CB-CE2 3.83Å; Y1277-F1281 AromaticContact CD1-CD2 3.88Å; Y1277-F1281 HydrophobicContact CD1-CD2 3.88Å; Y1277-F1281 AromaticContact CD1-CE2 3.76Å; Y1277-F1281 HydrophobicContact CD1-CE2 3.76Å; Y1277-F1281 HydrophobicContact CE1-CE2 4.37Å; Y1277-F1281 WeakPolarHBondContact O-CA 3.2Å; Y1277-F1281 WeakPolarHBondContact O-CB 3.28Å; Y1277-F1281 PolarHBondContact O-N 2.93Å; F1281-F1286 HydrophobicContact CB-CD1 4.45Å; F1281-F1286 HydrophobicContact CB-CE1 4.39Å; F1281-F1286 HydrophobicContact CD1-CD1 4.45Å; F1281-F1286 AromaticContact CD1-CE1 3.85Å; F1281-F1286 HydrophobicContact CD1-CE1 3.85Å; F1281-F1286 HydrophobicContact CD1-CE2 4.15Å; F1281-F1286 AromaticContact CD1-CZ 3.7Å; F1281-F1286 HydrophobicContact CD1-CZ 3.7Å; F1281-F1286 HydrophobicContact CE1-CZ 4.2Å; F1281-F1286 WeakPolarHBondContact O-CD1 3.37Å; F1281-L1298 HydrophobicContact CB-CD2 3.68Å; F1281-L1298 HydrophobicContact CG-CD2 4.35Å; F1281-L1301 HydrophobicContact CD2-CD2 4.35Å
1282F80.2Confident74.3Confident49 Ų4962.3 Ų62.322%0.21533%0.334CS..SBendtrans-100.39.7-175.5-53.2-30.4000114.2Y1277 E1278 L1298 L1301 K1302 I1305 Y1349Y1277-F1282 PolarHBondContact O-N 3.4Å; E1278-F1282 HydrophobicContact CB-CD2 4.23Å; E1278-F1282 HydrophobicContact CG-CD2 3.64Å; E1278-F1282 HydrophobicContact CG-CE2 4.21Å; E1278-F1282 PolarHBondContact O-N 2.89Å; F1282-L1298 HydrophobicContact CD1-CD2 4.28Å; F1282-L1298 HydrophobicContact CE1-CD2 4.01Å; F1282-L1301 HydrophobicContact CE1-CD2 4.06Å; F1282-L1301 HydrophobicContact CZ-CD2 3.82Å; F1282-L1301 HydrophobicContact CZ-CG 4.03Å; F1282-K1302 HydrophobicContact CE1-CG 3.98Å; F1282-K1302 HydrophobicContact CZ-CG 3.98Å; F1282-I1305 HydrophobicContact CE2-CD1 3.84Å; F1282-I1305 HydrophobicContact CZ-CD1 3.9Å; F1282-Y1349 AromaticContact CD2-CE1 3.85Å; F1282-Y1349 HydrophobicContact CD2-CE1 3.85Å; F1282-Y1349 AromaticContact CD2-CZ 3.97Å; F1282-Y1349 WeakPolarHBondContact CD2-OH 3.47Å; F1282-Y1349 AromaticContact CE2-CE1 3.57Å; F1282-Y1349 HydrophobicContact CE2-CE1 3.57Å; F1282-Y1349 AromaticContact CE2-CZ 3.74Å; F1282-Y1349 WeakPolarHBondContact CE2-OH 3.38Å; F1282-Y1349 HydrophobicContact CZ-CE1 4.24Å
1283N76.2Confident75Confident45 Ų4567.1 Ų67.124%0.24135%0.348CS..SBendtrans-76.6147.2170.564.152.4000111K1279 V1280 S1285 F1286 A1287K1279-N1283 PolarHBondContact O-ND2 3.01Å; V1280-N1283 PolarHBondContact O-ND2 3.03Å; N1283-S1285 VanDerWaalsContact CG-OG 3.23Å; N1283-S1285 PolarHBondContact O-N 3.47Å; N1283-S1285 PolarHBondContact OD1-OG 2.92Å; N1283-F1286 PolarHBondContact O-N 3.15Å; N1283-F1286 VanDerWaalsContact O-N 3.16Å; N1283-F1286 WeakPolarHBondContact OD1-CA 3.31Å; N1283-F1286 WeakPolarHBondContact OD1-CB 3.36Å; N1283-F1286 PolarHBondContact OD1-N 2.95Å; N1283-A1287 PolarHBondContact O-N 3.14Å
1284E65.6Low75.3Confident168 Ų16867.2 Ų67.279%0.78534%0.344SS*.Hα-helixtrans-60.6-30.3-179.9-69-172.4166.100112.4F1286 A1287 C1288E1284-F1286 VanDerWaalsContact C-N 3.31Å; E1284-F1286 PolarHBondContact O-N 3.03Å; E1284-A1287 PolarHBondContact O-N 2.99Å; E1284-C1288 PolarHBondContact O-N 3.04Å; E1284-C1288 VanDerWaalsContact O-N 3.07Å; E1284-C1288 PolarHBondContact O-SG 2.9Å
1285S68.2Low75.4Confident66 Ų6669 Ų6946%0.46235%0.353SS..Hα-helixtrans-63.7-31.8177.843.50000114N1283N1283-S1285 VanDerWaalsContact CG-OG 3.23Å; N1283-S1285 PolarHBondContact O-N 3.47Å; N1283-S1285 PolarHBondContact OD1-OG 2.92Å
1286F70.5Confident75.7Confident25 Ų2567.7 Ų67.711%0.1135%0.35CS..Hα-helixtrans-81.2-48177.1-170.7-96.1000109.6V1226 F1281 N1283 E1284 C1288 K1289 C1290 T1294 L1298V1226-F1286 HydrophobicContact CG2-CE1 4.08Å; V1226-F1286 HydrophobicContact CG2-CZ 4.04Å; F1281-F1286 HydrophobicContact CB-CD1 4.45Å; F1281-F1286 HydrophobicContact CB-CE1 4.39Å; F1281-F1286 HydrophobicContact CD1-CD1 4.45Å; F1281-F1286 AromaticContact CD1-CE1 3.85Å; F1281-F1286 HydrophobicContact CD1-CE1 3.85Å; F1281-F1286 HydrophobicContact CD1-CE2 4.15Å; F1281-F1286 AromaticContact CD1-CZ 3.7Å; F1281-F1286 HydrophobicContact CD1-CZ 3.7Å; F1281-F1286 HydrophobicContact CE1-CZ 4.2Å; F1281-F1286 WeakPolarHBondContact O-CD1 3.37Å; N1283-F1286 PolarHBondContact O-N 3.15Å; N1283-F1286 VanDerWaalsContact O-N 3.16Å; N1283-F1286 WeakPolarHBondContact OD1-CA 3.31Å; N1283-F1286 WeakPolarHBondContact OD1-CB 3.36Å; N1283-F1286 PolarHBondContact OD1-N 2.95Å; E1284-F1286 VanDerWaalsContact C-N 3.31Å; E1284-F1286 PolarHBondContact O-N 3.03Å; F1286-C1288 VanDerWaalsContact C-N 3.3Å; F1286-C1288 PolarHBondContact O-N 3.37Å; F1286-K1289 PolarHBondContact O-N 2.95Å; F1286-C1290 VanDerWaalsContact CD1-SG 3.52Å; F1286-C1290 WeakPolarHBondContact CE1-SG 3.39Å; F1286-C1290 PolarHBondContact O-N 2.86Å; F1286-C1290 PolarHBondContact O-SG 3.41Å; F1286-T1294 HydrophobicContact CE1-CG2 4.29Å; F1286-L1298 HydrophobicContact CD1-CD1 4.23Å; F1286-L1298 HydrophobicContact CE1-CD1 4.19Å; F1286-L1298 HydrophobicContact CE1-CD2 4.46Å
1287A65.9Low76Confident42 Ų4267.3 Ų67.335%0.34735%0.347SS..Hα-helixtrans-57.1-39.2-179.700000113.3N1283 E1284 K1289N1283-A1287 PolarHBondContact O-N 3.14Å; E1284-A1287 PolarHBondContact O-N 2.99Å; A1287-K1289 PolarHBondContact O-N 3.43Å
1288C67.7Low76.2Confident116 Ų11666.4 Ų66.478%0.78434%0.344SS*.THydrogen-bonded Turntrans-68.8-14.9178.4-68.40000114.4E1284 F1286E1284-C1288 PolarHBondContact O-N 3.04Å; E1284-C1288 VanDerWaalsContact O-N 3.07Å; E1284-C1288 PolarHBondContact O-SG 2.9Å; F1286-C1288 VanDerWaalsContact C-N 3.3Å; F1286-C1288 PolarHBondContact O-N 3.37Å
1289K67.3Low76.5Confident116 Ų11668.7 Ų68.750%0.50436%0.358SS..THydrogen-bonded Turntrans-110.2-0.8-174.8-65.5-179.1-177178.90113.7F1286 A1287F1286-K1289 PolarHBondContact O-N 2.95Å; A1287-K1289 PolarHBondContact O-N 3.43Å
1290C69.7Low77Confident32 Ų3264.5 Ų64.522%0.21634%0.344CS..  trans-89.9152.8-175.4-74.60000112.9F1286 T1294 L1295F1286-C1290 VanDerWaalsContact CD1-SG 3.52Å; F1286-C1290 WeakPolarHBondContact CE1-SG 3.39Å; F1286-C1290 PolarHBondContact O-N 2.86Å; F1286-C1290 PolarHBondContact O-SG 3.41Å; C1290-T1294 HydrophobicContact CB-CG2 4.16Å; C1290-L1295 HydrophobicContact CB-CD2 4.45Å; C1290-L1295 HydrophobicContact CB-CG 4.21Å
1291D76.8Confident77.5Confident91 Ų9164.1 Ų64.149%0.48734%0.342SS..  trans-78.7165.2167.365.4-11.1000111.2K1293 T1294 L1295D1291-K1293 PolarHBondContact O-N 3.41Å; D1291-T1294 PolarHBondContact O-N 2.73Å; D1291-T1294 VanDerWaalsContact O-N 3.15Å; D1291-T1294 WeakPolarHBondContact OD1-CB 3.33Å; D1291-T1294 PolarHBondContact OD1-N 2.77Å; D1291-T1294 PolarHBondContact OD1-OG1 3.02Å; D1291-L1295 PolarHBondContact O-N 2.81Å
1292Q79.4Confident77.9Confident128 Ų12867.5 Ų67.560%0.59836%0.357SS*.Hα-helixtrans-58.1-38.1-178.9-17261.146.500112.1T1294 L1295 D1296Q1292-T1294 VanDerWaalsContact C-N 3.35Å; Q1292-T1294 PolarHBondContact O-N 2.81Å; Q1292-L1295 WeakPolarHBondContact O-CB 3.17Å; Q1292-L1295 PolarHBondContact O-N 2.88Å; Q1292-D1296 PolarHBondContact NE2-OD1 3.03Å; Q1292-D1296 PolarHBondContact O-N 2.88Å
1293K79.4Confident78.2Confident124 Ų12468 Ų6854%0.53936%0.362SS..Hα-helixtrans-61.2-42.8178.5-168.8-168.2177.1-151.30111.7E1227 D1291 D1296 L1297E1227-K1293 IonicContact OE1-NZ 3.18Å; E1227-K1293 PolarHBondContact OE1-NZ 3Å; D1291-K1293 PolarHBondContact O-N 3.41Å; K1293-D1296 PolarHBondContact O-N 3.41Å; K1293-L1297 WeakPolarHBondContact O-CG 3.48Å; K1293-L1297 PolarHBondContact O-N 2.94Å; K1293-L1297 VanDerWaalsContact O-N 3.1Å
1294T80.4Confident78.7Confident27 Ų2769.9 Ų69.917%0.16637%0.365CS..Hα-helixtrans-68.7-38.5176.4-57.30000111.2V1226 F1286 C1290 D1291 Q1292 D1296 L1297 L1298V1226-T1294 HydrophobicContact CB-CG2 4.35Å; V1226-T1294 HydrophobicContact CG2-CG2 3.85Å; F1286-T1294 HydrophobicContact CE1-CG2 4.29Å; C1290-T1294 HydrophobicContact CB-CG2 4.16Å; D1291-T1294 PolarHBondContact O-N 2.73Å; D1291-T1294 VanDerWaalsContact O-N 3.15Å; D1291-T1294 WeakPolarHBondContact OD1-CB 3.33Å; D1291-T1294 PolarHBondContact OD1-N 2.77Å; D1291-T1294 PolarHBondContact OD1-OG1 3.02Å; Q1292-T1294 VanDerWaalsContact C-N 3.35Å; Q1292-T1294 PolarHBondContact O-N 2.81Å; T1294-D1296 PolarHBondContact O-N 2.89Å; T1294-L1297 WeakPolarHBondContact O-CB 3.1Å; T1294-L1297 PolarHBondContact O-N 3.43Å; T1294-L1298 VanDerWaalsContact O-CG 3.31Å; T1294-L1298 WeakPolarHBondContact O-CG 3.49Å; T1294-L1298 PolarHBondContact O-N 3.26Å
1295L82Confident79.7Confident52 Ų5261.9 Ų61.927%0.27233%0.328SS..Hα-helixtrans-60.1-44.3174.3-71.9166.7000111.8C1290 D1291 Q1292 L1297 L1298 D1299C1290-L1295 HydrophobicContact CB-CD2 4.45Å; C1290-L1295 HydrophobicContact CB-CG 4.21Å; D1291-L1295 PolarHBondContact O-N 2.81Å; Q1292-L1295 WeakPolarHBondContact O-CB 3.17Å; Q1292-L1295 PolarHBondContact O-N 2.88Å; L1295-L1297 VanDerWaalsContact C-N 3.31Å; L1295-L1297 PolarHBondContact O-N 2.8Å; L1295-L1298 HydrophobicContact CD2-CD1 4.4Å; L1295-L1298 WeakPolarHBondContact O-CB 3.3Å; L1295-L1298 PolarHBondContact O-N 3.33Å; L1295-L1298 VanDerWaalsContact O-N 3.13Å; L1295-D1299 PolarHBondContact O-N 3.41Å
1296D85Confident80.6Confident83 Ų8358.7 Ų58.744%0.44431%0.306SS..Hα-helixtrans-61.3-41.1176.1-61.6-18.2000111.3Q1292 K1293 T1294 D1299 V1300Q1292-D1296 PolarHBondContact NE2-OD1 3.03Å; Q1292-D1296 PolarHBondContact O-N 2.88Å; K1293-D1296 PolarHBondContact O-N 3.41Å; T1294-D1296 PolarHBondContact O-N 2.89Å; D1296-D1299 PolarHBondContact O-N 3Å; D1296-V1300 WeakPolarHBondContact O-CG2 3.44Å; D1296-V1300 PolarHBondContact O-N 2.7Å
1297L85.7Confident81.3Confident31 Ų3159 Ų5916%0.16231%0.312CS..Hα-helixtrans-65.5-36.2174.9-73.7163.8000112.7V1226 E1227 V1230 K1293 T1294 L1295 D1299 V1300 L1301V1226-L1297 HydrophobicContact CG1-CB 3.75Å; E1227-L1297 HydrophobicContact CG-CD1 3.49Å; E1227-L1297 VanDerWaalsContact CG-CD1 3.49Å; E1227-L1297 HydrophobicContact CG-CD2 4.03Å; E1227-L1297 HydrophobicContact CG-CG 4.41Å; V1230-L1297 WeakPolarHBondContact CG2-O 3.45Å; K1293-L1297 WeakPolarHBondContact O-CG 3.48Å; K1293-L1297 PolarHBondContact O-N 2.94Å; K1293-L1297 VanDerWaalsContact O-N 3.1Å; T1294-L1297 WeakPolarHBondContact O-CB 3.1Å; T1294-L1297 PolarHBondContact O-N 3.43Å; L1295-L1297 VanDerWaalsContact C-N 3.31Å; L1295-L1297 PolarHBondContact O-N 2.8Å; L1297-D1299 VanDerWaalsContact C-N 3.31Å; L1297-V1300 PolarHBondContact O-N 3.03Å; L1297-L1301 WeakPolarHBondContact O-CB 3.2Å; L1297-L1301 PolarHBondContact O-N 2.92Å
1298L85.7Confident82.4Confident6 Ų657.2 Ų57.23%0.03130%0.297CS..Hα-helixtrans-64.2-39.4173.5-69.9173000110.9V1226 F1281 F1282 F1286 T1294 L1295 L1301 K1302V1226-L1298 HydrophobicContact CG1-CD2 3.72Å; V1226-L1298 HydrophobicContact CG1-CG 4.11Å; V1226-L1298 HydrophobicContact CG2-CD2 4.13Å; F1281-L1298 HydrophobicContact CB-CD2 3.68Å; F1281-L1298 HydrophobicContact CG-CD2 4.35Å; F1282-L1298 HydrophobicContact CD1-CD2 4.28Å; F1282-L1298 HydrophobicContact CE1-CD2 4.01Å; F1286-L1298 HydrophobicContact CD1-CD1 4.23Å; F1286-L1298 HydrophobicContact CE1-CD1 4.19Å; F1286-L1298 HydrophobicContact CE1-CD2 4.46Å; T1294-L1298 VanDerWaalsContact O-CG 3.31Å; T1294-L1298 WeakPolarHBondContact O-CG 3.49Å; T1294-L1298 PolarHBondContact O-N 3.26Å; L1295-L1298 HydrophobicContact CD2-CD1 4.4Å; L1295-L1298 WeakPolarHBondContact O-CB 3.3Å; L1295-L1298 PolarHBondContact O-N 3.33Å; L1295-L1298 VanDerWaalsContact O-N 3.13Å; L1298-L1301 WeakPolarHBondContact O-CB 3.34Å; L1298-L1301 PolarHBondContact O-N 2.97Å; L1298-K1302 VanDerWaalsContact O-CG 3.29Å; L1298-K1302 WeakPolarHBondContact O-CG 3.33Å; L1298-K1302 PolarHBondContact O-N 3.3Å
1299D86.7Confident83.5Confident87 Ų8751.9 Ų51.947%0.46526%0.261SS..Hα-helixtrans-69.2-36.8176.1-72-19.3000112L1295 D1296 L1297 L1301 K1302 D1303L1295-D1299 PolarHBondContact O-N 3.41Å; D1296-D1299 PolarHBondContact O-N 3Å; L1297-D1299 VanDerWaalsContact C-N 3.31Å; D1299-L1301 VanDerWaalsContact C-N 3.32Å; D1299-L1301 PolarHBondContact O-N 3.43Å; D1299-K1302 PolarHBondContact O-N 2.75Å; D1299-K1302 IonicContact OD1-NZ 2.88Å; D1299-K1302 PolarHBondContact OD1-NZ 3.34Å; D1299-D1303 WeakPolarHBondContact O-CB 3.49Å; D1299-D1303 PolarHBondContact O-N 3.13Å
1300V88.2Confident84.6Confident57 Ų5747 Ų4735%0.34524%0.241SC..Hα-helixtrans-60.7-41.8168.5175.10000111V1230 D1296 L1297 D1303 R1304V1230-V1300 HydrophobicContact CG1-CG1 3.75Å; V1230-V1300 HydrophobicContact CG2-CG1 4.45Å; D1296-V1300 WeakPolarHBondContact O-CG2 3.44Å; D1296-V1300 PolarHBondContact O-N 2.7Å; L1297-V1300 PolarHBondContact O-N 3.03Å; V1300-D1303 PolarHBondContact O-N 3.18Å; V1300-R1304 HydrophobicContact CG1-CG 4.35Å; V1300-R1304 WeakPolarHBondContact O-CB 3.38Å; V1300-R1304 WeakPolarHBondContact O-CG 3.47Å; V1300-R1304 PolarHBondContact O-N 3.29Å
1301L87.7Confident85.6Confident0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-63.5-47.5177.6-17759.1000111.5A1229 V1230 M1233 Y1277 F1281 F1282 L1297 L1298 D1299 D1303 R1304 I1305A1229-L1301 HydrophobicContact CB-CD1 4.25Å; A1229-L1301 HydrophobicContact CB-CD2 3.9Å; V1230-L1301 HydrophobicContact CG2-CB 3.78Å; V1230-L1301 HydrophobicContact CG2-CD1 4.34Å; M1233-L1301 HydrophobicContact CB-CD1 3.79Å; M1233-L1301 HydrophobicContact CG-CD1 4.11Å; Y1277-L1301 HydrophobicContact CG-CD2 4.38Å; F1281-L1301 HydrophobicContact CD2-CD2 4.35Å; F1282-L1301 HydrophobicContact CE1-CD2 4.06Å; F1282-L1301 HydrophobicContact CZ-CD2 3.82Å; F1282-L1301 HydrophobicContact CZ-CG 4.03Å; L1297-L1301 WeakPolarHBondContact O-CB 3.2Å; L1297-L1301 PolarHBondContact O-N 2.92Å; L1298-L1301 WeakPolarHBondContact O-CB 3.34Å; L1298-L1301 PolarHBondContact O-N 2.97Å; D1299-L1301 VanDerWaalsContact C-N 3.32Å; D1299-L1301 PolarHBondContact O-N 3.43Å; L1301-D1303 VanDerWaalsContact C-N 3.32Å; L1301-D1303 PolarHBondContact O-N 2.8Å; L1301-R1304 PolarHBondContact O-N 2.78Å; L1301-I1305 HydrophobicContact CD1-CD1 4.48Å; L1301-I1305 HydrophobicContact CG-CD1 4.19Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.46Å; L1301-I1305 PolarHBondContact O-N 3.44Å
1302K87.1Confident86.3Confident73 Ų7342 Ų4232%0.31721%0.212SC..Hα-helixtrans-58.1-44.6175.1-69.5173.7-164.4156.80111.2F1282 L1298 D1299 R1304 I1305 A1306 Y1349F1282-K1302 HydrophobicContact CE1-CG 3.98Å; F1282-K1302 HydrophobicContact CZ-CG 3.98Å; L1298-K1302 VanDerWaalsContact O-CG 3.29Å; L1298-K1302 WeakPolarHBondContact O-CG 3.33Å; L1298-K1302 PolarHBondContact O-N 3.3Å; D1299-K1302 PolarHBondContact O-N 2.75Å; D1299-K1302 IonicContact OD1-NZ 2.88Å; D1299-K1302 PolarHBondContact OD1-NZ 3.34Å; K1302-R1304 VanDerWaalsContact C-N 3.35Å; K1302-R1304 PolarHBondContact O-N 3.01Å; K1302-I1305 PolarHBondContact O-N 3.05Å; K1302-A1306 PolarHBondContact O-N 3.15Å; K1302-Y1349 HydrophobicContact CB-CD1 3.85Å; K1302-Y1349 HydrophobicContact CB-CE1 4.47Å; K1302-Y1349 HydrophobicContact CD-CD1 4.41Å; K1302-Y1349 HydrophobicContact CG-CD1 3.73Å; K1302-Y1349 HydrophobicContact CG-CE1 3.94Å
1303D88Confident87Confident60 Ų6036.6 Ų36.632%0.32119%0.187SC..Hα-helixtrans-60.6-43.6176.2177.664.3000111.8D1299 V1300 L1301 A1306 A1307 R1352D1299-D1303 WeakPolarHBondContact O-CB 3.49Å; D1299-D1303 PolarHBondContact O-N 3.13Å; V1300-D1303 PolarHBondContact O-N 3.18Å; L1301-D1303 VanDerWaalsContact C-N 3.32Å; L1301-D1303 PolarHBondContact O-N 2.8Å; D1303-A1306 PolarHBondContact O-N 3.25Å; D1303-A1307 WeakPolarHBondContact O-CB 3.28Å; D1303-A1307 PolarHBondContact O-N 3.1Å; D1303-R1352 IonicContact OD1-CZ 3.7Å; D1303-R1352 IonicContact OD1-NE 3.88Å; D1303-R1352 IonicContact OD1-NH2 2.72Å; D1303-R1352 PolarHBondContact OD1-NH2 3.37Å
1304R85.4Confident87.5Confident83 Ų8332.6 Ų32.631%0.31317%0.169SC..Hα-helixtrans-65.5-37.7177.3-69.4-71177.6-88-0.6112.7M1233 V1300 L1301 K1302 A1307 Q1308M1233-R1304 HydrophobicContact CB-CB 4.37Å; M1233-R1304 HydrophobicContact CG-CB 3.61Å; V1300-R1304 HydrophobicContact CG1-CG 4.35Å; V1300-R1304 WeakPolarHBondContact O-CB 3.38Å; V1300-R1304 WeakPolarHBondContact O-CG 3.47Å; V1300-R1304 PolarHBondContact O-N 3.29Å; L1301-R1304 PolarHBondContact O-N 2.78Å; K1302-R1304 VanDerWaalsContact C-N 3.35Å; K1302-R1304 PolarHBondContact O-N 3.01Å; R1304-A1307 PolarHBondContact O-N 3.24Å; R1304-Q1308 PolarHBondContact O-N 3.35Å
1305I87.4Confident88Confident0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-62.7-47.7172.8-68.5166.8000109.9M1233 I1274 F1282 L1301 K1302 A1307 Q1308 V1345 Y1349M1233-I1305 HydrophobicContact CE-CD1 4.44Å; M1233-I1305 HydrophobicContact CE-CG1 3.76Å; M1233-I1305 HydrophobicContact CG-CG1 4.29Å; M1233-I1305 HydrophobicContact SD-CG1 4.06Å; I1274-I1305 HydrophobicContact CD1-CG2 4.36Å; I1274-I1305 HydrophobicContact CG2-CD1 4.31Å; I1274-I1305 HydrophobicContact CG2-CG1 4.17Å; I1274-I1305 HydrophobicContact CG2-CG2 4.19Å; F1282-I1305 HydrophobicContact CE2-CD1 3.84Å; F1282-I1305 HydrophobicContact CZ-CD1 3.9Å; L1301-I1305 HydrophobicContact CD1-CD1 4.48Å; L1301-I1305 HydrophobicContact CG-CD1 4.19Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.46Å; L1301-I1305 PolarHBondContact O-N 3.44Å; K1302-I1305 PolarHBondContact O-N 3.05Å; I1305-A1307 VanDerWaalsContact C-N 3.3Å; I1305-A1307 PolarHBondContact O-N 3.32Å; I1305-Q1308 WeakPolarHBondContact O-CB 3.24Å; I1305-Q1308 PolarHBondContact O-N 3.35Å; I1305-V1345 HydrophobicContact CG2-CG1 4.09Å; I1305-V1345 HydrophobicContact CG2-CG2 4.09Å; I1305-Y1349 HydrophobicContact CG2-CD2 3.81Å; I1305-Y1349 HydrophobicContact CG2-CE2 3.92Å; I1305-Y1349 HydrophobicContact CG2-CG 4.33Å
1306A87.1Confident88.4Confident0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-61-39.6177.300000112.1K1302 D1303 Q1308 V1309 R1352K1302-A1306 PolarHBondContact O-N 3.15Å; D1303-A1306 PolarHBondContact O-N 3.25Å; A1306-Q1308 PolarHBondContact O-N 3.32Å; A1306-V1309 PolarHBondContact O-N 2.91Å; A1306-R1352 HydrophobicContact CB-CG 4.05Å; A1306-R1352 WeakPolarHBondContact O-CG 3.22Å
1307A85.3Confident88.6Confident30 Ų3027 Ų2725%0.24814%0.136CC..Hα-helixtrans-65.5-16.1179.400000114.2D1303 R1304 I1305 P1310D1303-A1307 WeakPolarHBondContact O-CB 3.28Å; D1303-A1307 PolarHBondContact O-N 3.1Å; R1304-A1307 PolarHBondContact O-N 3.24Å; I1305-A1307 VanDerWaalsContact C-N 3.3Å; I1305-A1307 PolarHBondContact O-N 3.32Å; A1307-P1310 WeakPolarHBondContact O-CD 3.08Å
1308Q88.9Confident88.6Confident6 Ų626 Ų263%0.02813%0.131CC..Hα-helixtrans-71.8-29.9174.1-72.1-176.2-19.800113M1233 T1236 V1237 M1265 R1304 I1305 A1306 L1311 L1312 Y1341M1233-Q1308 HydrophobicContact SD-CG 4.44Å; M1233-Q1308 PolarHBondContact SD-NE2 3.24Å; T1236-Q1308 PolarHBondContact OG1-NE2 3.48Å; T1236-Q1308 VanDerWaalsContact OG1-NE2 3.16Å; V1237-Q1308 HydrophobicContact CG2-CG 3.47Å; V1237-Q1308 VanDerWaalsContact CG2-CG 3.47Å; M1265-Q1308 HydrophobicContact CE-CB 4.4Å; M1265-Q1308 HydrophobicContact CE-CG 4.02Å; M1265-Q1308 VanDerWaalsContact CE-NE2 3.27Å; R1304-Q1308 PolarHBondContact O-N 3.35Å; I1305-Q1308 WeakPolarHBondContact O-CB 3.24Å; I1305-Q1308 PolarHBondContact O-N 3.35Å; A1306-Q1308 PolarHBondContact O-N 3.32Å; Q1308-L1311 PolarHBondContact O-N 2.9Å; Q1308-L1312 HydrophobicContact CB-CD1 4.17Å; Q1308-L1312 WeakPolarHBondContact O-CB 3.37Å; Q1308-L1312 WeakPolarHBondContact O-CG 3.48Å; Q1308-L1312 PolarHBondContact O-N 3.39Å; Q1308-Y1341 PolarHBondContact OE1-OH 3.03Å
1309V90.7Very high88.7Confident3 Ų325.8 Ų25.82%0.01813%0.129CC..Hα-helixtrans-57.8-49.5-172.3174.60000112.5A1306 L1311 L1312 E1313 F1338 Y1341 K1342 V1345A1306-V1309 PolarHBondContact O-N 2.91Å; V1309-L1311 VanDerWaalsContact C-N 3.32Å; V1309-L1311 PolarHBondContact O-N 2.84Å; V1309-L1312 PolarHBondContact O-N 2.88Å; V1309-E1313 WeakPolarHBondContact O-CB 3.13Å; V1309-E1313 PolarHBondContact O-N 3.36Å; V1309-F1338 HydrophobicContact CG1-CE2 4.36Å; V1309-F1338 HydrophobicContact CG1-CZ 4.36Å; V1309-Y1341 HydrophobicContact CG2-CE1 4.35Å; V1309-K1342 HydrophobicContact CG1-CB 4.33Å; V1309-K1342 HydrophobicContact CG1-CD 4.2Å; V1309-K1342 HydrophobicContact CG1-CG 3.81Å; V1309-V1345 HydrophobicContact CG2-CB 3.9Å; V1309-V1345 HydrophobicContact CG2-CG1 3.45Å; V1309-V1345 VanDerWaalsContact CG2-CG1 3.45Å
1310P90.7Very high88.7Confident13 Ų1321.9 Ų21.98%0.08411%0.109CC..Hα-helixtrans-66.5-33.4179.4-19.733.5000113.2A1307 K1314 R1352 V1353 L1355A1307-P1310 WeakPolarHBondContact O-CD 3.08Å; P1310-K1314 WeakPolarHBondContact O-CB 3.12Å; P1310-K1314 PolarHBondContact O-N 3.39Å; P1310-R1352 HydrophobicContact CG-CB 3.57Å; P1310-V1353 WeakPolarHBondContact CB-O 3.25Å; P1310-V1353 VanDerWaalsContact CG-O 3.29Å; P1310-V1353 WeakPolarHBondContact CG-O 3.23Å; P1310-L1355 HydrophobicContact CB-CD1 3.91Å; P1310-L1355 HydrophobicContact CB-CG 3.75Å
1311L90.3Very high88.5Confident20 Ų2023.8 Ų23.811%0.10511%0.114CC..Hα-helixtrans-69.9-44.2176.2-68.2173.9000111.2V1237 L1240 E1241 I1244 Q1308 V1309 E1313 K1314 G1315 L1355V1237-L1311 HydrophobicContact CG1-CD1 3.76Å; L1240-L1311 HydrophobicContact CD2-CB 3.69Å; L1240-L1311 HydrophobicContact CG-CB 4.2Å; E1241-L1311 HydrophobicContact CB-CD1 4.34Å; E1241-L1311 HydrophobicContact CB-CD2 4.36Å; E1241-L1311 HydrophobicContact CG-CD2 4.41Å; I1244-L1311 HydrophobicContact CD1-CB 4.05Å; I1244-L1311 HydrophobicContact CD1-CD2 4.18Å; I1244-L1311 WeakPolarHBondContact CD1-O 3.28Å; Q1308-L1311 PolarHBondContact O-N 2.9Å; V1309-L1311 VanDerWaalsContact C-N 3.32Å; V1309-L1311 PolarHBondContact O-N 2.84Å; L1311-E1313 VanDerWaalsContact C-N 3.3Å; L1311-E1313 PolarHBondContact O-N 3.14Å; L1311-K1314 PolarHBondContact O-N 3.05Å; L1311-G1315 PolarHBondContact O-N 3.07Å; L1311-L1355 HydrophobicContact CD2-CD1 3.9Å
1312L91.9Very high88.2Confident0 Ų025.3 Ų25.30%012%0.122CC..Hα-helixtrans-60.7-42174.1-73.7169.9000110.8L1240 L1262 M1265 L1266 Q1308 V1309 K1314 G1315 V1316 F1338 Y1341L1240-L1312 HydrophobicContact CD2-CD2 3.77Å; L1240-L1312 HydrophobicContact CD2-CG 3.92Å; L1262-L1312 HydrophobicContact CD2-CD2 3.8Å; M1265-L1312 HydrophobicContact CB-CD2 4.09Å; M1265-L1312 HydrophobicContact CE-CD1 4.47Å; M1265-L1312 HydrophobicContact CE-CD2 4.11Å; M1265-L1312 HydrophobicContact CE-CG 4.43Å; M1265-L1312 HydrophobicContact SD-CD2 4.16Å; L1266-L1312 HydrophobicContact CD2-CD1 4.16Å; L1266-L1312 HydrophobicContact CD2-CD2 4.44Å; L1266-L1312 HydrophobicContact CG-CD2 4.44Å; Q1308-L1312 HydrophobicContact CB-CD1 4.17Å; Q1308-L1312 WeakPolarHBondContact O-CB 3.37Å; Q1308-L1312 WeakPolarHBondContact O-CG 3.48Å; Q1308-L1312 PolarHBondContact O-N 3.39Å; V1309-L1312 PolarHBondContact O-N 2.88Å; L1312-K1314 PolarHBondContact O-N 2.79Å; L1312-G1315 PolarHBondContact O-N 3.3Å; L1312-V1316 WeakPolarHBondContact O-CB 3.38Å; L1312-V1316 VanDerWaalsContact O-CG2 3.27Å; L1312-V1316 WeakPolarHBondContact O-CG2 3.22Å; L1312-V1316 PolarHBondContact O-N 3.09Å; L1312-F1338 HydrophobicContact CB-CD2 3.87Å; L1312-F1338 HydrophobicContact CB-CE2 3.73Å; L1312-Y1341 HydrophobicContact CD1-CD1 3.84Å; L1312-Y1341 HydrophobicContact CD1-CE1 3.46Å; L1312-Y1341 VanDerWaalsContact CD1-CE1 3.46Å
1313E93.6Very high87.8Confident14 Ų1422.4 Ų22.47%0.06511%0.111CC..Hα-helixtrans-58.6-48.2174.9-163.3166.4-127.200111.5V1309 L1311 V1316 Y1317 F1338 K1342 S1354 L1356 L1362V1309-E1313 WeakPolarHBondContact O-CB 3.13Å; V1309-E1313 PolarHBondContact O-N 3.36Å; L1311-E1313 VanDerWaalsContact C-N 3.3Å; L1311-E1313 PolarHBondContact O-N 3.14Å; E1313-V1316 PolarHBondContact O-N 3.01Å; E1313-Y1317 WeakPolarHBondContact O-CB 3.48Å; E1313-Y1317 PolarHBondContact O-N 2.82Å; E1313-F1338 HydrophobicContact CB-CE1 4Å; E1313-F1338 HydrophobicContact CB-CE2 4.13Å; E1313-F1338 HydrophobicContact CB-CZ 3.43Å; E1313-F1338 VanDerWaalsContact CB-CZ 3.43Å; E1313-F1338 HydrophobicContact CG-CE1 3.83Å; E1313-F1338 HydrophobicContact CG-CZ 3.74Å; E1313-K1342 IonicContact OE1-NZ 2.68Å; E1313-K1342 PolarHBondContact OE1-NZ 3.4Å; E1313-S1354 WeakPolarHBondContact OE2-CB 3.49Å; E1313-S1354 PolarHBondContact OE2-OG 2.99Å; E1313-L1356 HydrophobicContact CG-CD1 3.64Å; E1313-L1356 HydrophobicContact CG-CG 4.13Å; E1313-L1362 HydrophobicContact CG-CD2 4.21Å
1314K90.4Very high87.3Confident39 Ų3922.1 Ų22.117%0.1711%0.114CC..Hα-helixtrans-62.6-41.8176.1-169.8175.6178.9-162.20112.2I1244 E1248 P1310 L1311 L1312 Y1317 L1318 L1355 L1356I1244-K1314 HydrophobicContact CG2-CD 3.82Å; I1244-K1314 HydrophobicContact CG2-CG 4.12Å; E1248-K1314 WeakPolarHBondContact OE1-CE 3.13Å; E1248-K1314 IonicContact OE1-NZ 2.66Å; E1248-K1314 PolarHBondContact OE1-NZ 2.8Å; E1248-K1314 IonicContact OE2-NZ 3.13Å; E1248-K1314 PolarHBondContact OE2-NZ 3.44Å; P1310-K1314 WeakPolarHBondContact O-CB 3.12Å; P1310-K1314 PolarHBondContact O-N 3.39Å; L1311-K1314 PolarHBondContact O-N 3.05Å; L1312-K1314 PolarHBondContact O-N 2.79Å; K1314-Y1317 PolarHBondContact O-N 2.97Å; K1314-L1318 HydrophobicContact CG-CD1 4.19Å; K1314-L1318 WeakPolarHBondContact O-CB 3.43Å; K1314-L1318 WeakPolarHBondContact O-CG 3.48Å; K1314-L1318 PolarHBondContact O-N 2.72Å; K1314-L1355 HydrophobicContact CB-CB 4.35Å; K1314-L1355 HydrophobicContact CD-CB 4.15Å; K1314-L1355 HydrophobicContact CD-CD1 4.22Å; K1314-L1356 HydrophobicContact CB-CD2 4.47Å
1315G89.9Confident86.8Confident0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-65.8-42.9177.600000112.8L1311 L1312 L1318 H1319L1311-G1315 PolarHBondContact O-N 3.07Å; L1312-G1315 PolarHBondContact O-N 3.3Å; G1315-L1318 PolarHBondContact O-N 2.97Å; G1315-H1319 WeakPolarHBondContact O-CB 3.33Å; G1315-H1319 PolarHBondContact O-N 3.34Å
1316V90.3Very high86.2Confident0 Ų030.7 Ų30.70%017%0.166CC..Hα-helixtrans-64.5-44.3174.8173.30000110.3L1262 L1266 L1312 E1313 H1319 A1320 H1331 V1335 F1338 L1362L1262-V1316 HydrophobicContact CD2-CG2 4.42Å; L1266-V1316 HydrophobicContact CD1-CG2 4.18Å; L1312-V1316 WeakPolarHBondContact O-CB 3.38Å; L1312-V1316 VanDerWaalsContact O-CG2 3.27Å; L1312-V1316 WeakPolarHBondContact O-CG2 3.22Å; L1312-V1316 PolarHBondContact O-N 3.09Å; E1313-V1316 PolarHBondContact O-N 3.01Å; V1316-H1319 WeakPolarHBondContact O-CB 3.39Å; V1316-H1319 PolarHBondContact O-N 3.41Å; V1316-A1320 PolarHBondContact O-N 2.94Å; V1316-H1331 PolarHBondContact O-CE1 2.85Å; V1316-V1335 HydrophobicContact CG1-CG2 3.71Å; V1316-F1338 HydrophobicContact CG2-CB 4.22Å; V1316-F1338 HydrophobicContact CG2-CG 4.34Å; V1316-L1362 HydrophobicContact CB-CD2 4.35Å; V1316-L1362 HydrophobicContact CG1-CD2 4.09Å
1317Y90Very high85.9Confident46 Ų4633.6 Ų33.618%0.1818%0.18CC..Hα-helixtrans-59.4-47.4175.1175.3-106.4000112.9E1313 K1314 H1319 A1320 Q1321 L1356 A1360E1313-Y1317 WeakPolarHBondContact O-CB 3.48Å; E1313-Y1317 PolarHBondContact O-N 2.82Å; K1314-Y1317 PolarHBondContact O-N 2.97Å; Y1317-H1319 VanDerWaalsContact C-N 3.3Å; Y1317-H1319 PolarHBondContact O-N 3.1Å; Y1317-A1320 VanDerWaalsContact O-CB 3.24Å; Y1317-A1320 WeakPolarHBondContact O-CB 3.01Å; Y1317-A1320 PolarHBondContact O-N 3.03Å; Y1317-A1320 VanDerWaalsContact O-N 3.08Å; Y1317-Q1321 HydrophobicContact CE1-CG 4.42Å; Y1317-Q1321 PolarHBondContact O-N 2.88Å; Y1317-Q1321 VanDerWaalsContact O-N 3.13Å; Y1317-Q1321 PolarHBondContact OH-NE2 2.88Å; Y1317-L1356 HydrophobicContact CD1-CD2 3.45Å; Y1317-L1356 VanDerWaalsContact CD1-CD2 3.45Å; Y1317-L1356 HydrophobicContact CD2-CD1 4.33Å; Y1317-L1356 HydrophobicContact CD2-CD2 4.21Å; Y1317-L1356 HydrophobicContact CE1-CD2 4.16Å; Y1317-L1356 HydrophobicContact CG-CD1 4.2Å; Y1317-L1356 HydrophobicContact CG-CD2 3.45Å; Y1317-L1356 VanDerWaalsContact CG-CD2 3.45Å; Y1317-L1356 HydrophobicContact CG-CG 4.48Å; Y1317-A1360 HydrophobicContact CD2-CB 4Å; Y1317-A1360 HydrophobicContact CE2-CB 3.55Å
1318L84.9Confident85.7Confident10 Ų1036.8 Ų36.85%0.05219%0.186CC..Hα-helixtrans-62.2-40.2175.6-77.9166.9000111.4I1244 E1248 L1258 K1314 G1315 A1320 Q1321 L1322I1244-L1318 HydrophobicContact CB-CD1 4.45Å; I1244-L1318 HydrophobicContact CG2-CD1 3.7Å; E1248-L1318 HydrophobicContact CG-CD1 3.69Å; E1248-L1318 HydrophobicContact CG-CD2 3.79Å; E1248-L1318 HydrophobicContact CG-CG 4.4Å; L1258-L1318 HydrophobicContact CD2-CB 4.49Å; K1314-L1318 HydrophobicContact CG-CD1 4.19Å; K1314-L1318 WeakPolarHBondContact O-CB 3.43Å; K1314-L1318 WeakPolarHBondContact O-CG 3.48Å; K1314-L1318 PolarHBondContact O-N 2.72Å; G1315-L1318 PolarHBondContact O-N 2.97Å; L1318-A1320 VanDerWaalsContact C-N 3.28Å; L1318-A1320 PolarHBondContact O-N 2.99Å; L1318-Q1321 PolarHBondContact O-N 2.94Å; L1318-L1322 WeakPolarHBondContact O-CB 3.48Å; L1318-L1322 WeakPolarHBondContact O-CG 3.43Å; L1318-L1322 PolarHBondContact O-N 3.48Å; L1318-L1322 VanDerWaalsContact O-N 3.09Å
1319H88.8Confident85.3Confident0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-59.7-40.2172.9-173-75.2000111.3L1255 L1262 G1315 V1316 Y1317 Q1321 L1322 C1323 F1330 H1331L1255-H1319 HydrophobicContact CD1-CB 4.48Å; L1262-H1319 HydrophobicContact CD1-CB 4.2Å; G1315-H1319 WeakPolarHBondContact O-CB 3.33Å; G1315-H1319 PolarHBondContact O-N 3.34Å; V1316-H1319 WeakPolarHBondContact O-CB 3.39Å; V1316-H1319 PolarHBondContact O-N 3.41Å; Y1317-H1319 VanDerWaalsContact C-N 3.3Å; Y1317-H1319 PolarHBondContact O-N 3.1Å; H1319-Q1321 VanDerWaalsContact C-N 3.32Å; H1319-Q1321 PolarHBondContact O-N 3.3Å; H1319-L1322 PolarHBondContact O-N 3.35Å; H1319-C1323 WeakPolarHBondContact O-CB 3.38Å; H1319-C1323 PolarHBondContact O-N 3.48Å; H1319-C1323 PolarHBondContact O-SG 3.12Å; H1319-F1330 AromaticContact CE1-CD1 3.83Å; H1319-F1330 AromaticContact NE2-CD1 3.85Å; H1319-F1330 AromaticContact NE2-CE1 3.65Å; H1319-H1331 AromaticContact CG-ND1 3.99Å; H1319-H1331 AromaticContact ND1-CG 3.77Å; H1319-H1331 AromaticContact ND1-ND1 3.16Å; H1319-H1331 PolarHBondContact ND1-ND1 2.97Å; H1319-H1331 VanDerWaalsContact ND1-ND1 3.16Å
1320A86.4Confident85.1Confident5 Ų547 Ų474%0.04123%0.232CC..Hα-helixtrans-59.7-41.2176.300000112.4V1316 Y1317 L1318 H1331 L1362 M1364V1316-A1320 PolarHBondContact O-N 2.94Å; Y1317-A1320 VanDerWaalsContact O-CB 3.24Å; Y1317-A1320 WeakPolarHBondContact O-CB 3.01Å; Y1317-A1320 PolarHBondContact O-N 3.03Å; Y1317-A1320 VanDerWaalsContact O-N 3.08Å; L1318-A1320 VanDerWaalsContact C-N 3.28Å; L1318-A1320 PolarHBondContact O-N 2.99Å; A1320-H1331 VanDerWaalsContact CB-CE1 3.4Å; A1320-H1331 WeakPolarHBondContact CB-CE1 2.88Å; A1320-H1331 WeakPolarHBondContact CB-NE2 3.44Å; A1320-L1362 WeakPolarHBondContact CB-O 3.41Å; A1320-M1364 WeakPolarHBondContact O-CG 3.37Å
1321Q83.7Confident85.1Confident97 Ų9746.4 Ų46.445%0.45323%0.228SC..Hα-helixtrans-71.2-31.6180-67.8-171.6-15.100113.6Y1317 L1318 H1319Y1317-Q1321 HydrophobicContact CE1-CG 4.42Å; Y1317-Q1321 PolarHBondContact O-N 2.88Å; Y1317-Q1321 VanDerWaalsContact O-N 3.13Å; Y1317-Q1321 PolarHBondContact OH-NE2 2.88Å; L1318-Q1321 PolarHBondContact O-N 2.94Å; H1319-Q1321 VanDerWaalsContact C-N 3.32Å; H1319-Q1321 PolarHBondContact O-N 3.3Å
1322L80.3Confident85Confident32 Ų3248.6 Ų48.617%0.16825%0.245CC..Hα-helixtrans-100.1-23-170-64.1176.4000113.5A1247 R1251 L1255 L1318 H1319A1247-L1322 HydrophobicContact CB-CD1 4.24Å; R1251-L1322 HydrophobicContact CB-CD2 3.44Å; R1251-L1322 VanDerWaalsContact CB-CD2 3.44Å; R1251-L1322 HydrophobicContact CG-CD2 3.51Å; L1255-L1322 HydrophobicContact CD1-CB 3.79Å; L1255-L1322 HydrophobicContact CD1-CD1 4.38Å; L1255-L1322 HydrophobicContact CD2-CB 4.14Å; L1255-L1322 HydrophobicContact CG-CB 4.48Å; L1318-L1322 WeakPolarHBondContact O-CB 3.48Å; L1318-L1322 WeakPolarHBondContact O-CG 3.43Å; L1318-L1322 PolarHBondContact O-N 3.48Å; L1318-L1322 VanDerWaalsContact O-N 3.09Å; H1319-L1322 PolarHBondContact O-N 3.35Å
1323C79.1Confident84.9Confident12 Ų1251.8 Ų51.88%0.08126%0.262CS..  trans-73.4144.9-175.573.20000112.5H1319 Q1327 M1364H1319-C1323 WeakPolarHBondContact O-CB 3.38Å; H1319-C1323 PolarHBondContact O-N 3.48Å; H1319-C1323 PolarHBondContact O-SG 3.12Å; C1323-Q1327 HydrophobicContact CB-CB 3.97Å; C1323-M1364 VanDerWaalsContact SG-CE 3.55Å
1324S77.8Confident84.7Confident55 Ų5551.3 Ų51.339%0.38526%0.26SS..  trans-76.6165175.1720000111E1326 Q1327 M1364S1324-E1326 PolarHBondContact O-N 3.03Å; S1324-Q1327 PolarHBondContact O-N 2.95Å; S1324-M1364 WeakPolarHBondContact O-CE 3.41Å
1325S75.1Confident84.7Confident82 Ų8249.7 Ų49.757%0.57325%0.253SS*.G310 helixtrans-57.6-22177.1-79.20000114.1R1328S1325-R1328 WeakPolarHBondContact O-CB 3.45Å; S1325-R1328 PolarHBondContact O-NH1 3.24Å; S1325-R1328 VanDerWaalsContact O-NH1 3.17Å; S1325-R1328 PolarHBondContact OG-NH2 3.43Å
1326E76.1Confident84.6Confident180 Ų18052.6 Ų52.684%0.84127%0.273SS*.G310 helixtrans-73.9-27.1177.6-62.5173.8174.700112.6S1324 R1328S1324-E1326 PolarHBondContact O-N 3.03Å; E1326-R1328 VanDerWaalsContact C-N 3.28Å; E1326-R1328 PolarHBondContact O-N 3.32Å
1327Q79.7Confident84.5Confident62 Ų6253.3 Ų53.329%0.2928%0.278SS..G310 helixtrans-89.57.8-179.7-64.2178.8-52.900112.7C1323 S1324 E1329 F1330 H1331C1323-Q1327 HydrophobicContact CB-CB 3.97Å; S1324-Q1327 PolarHBondContact O-N 2.95Å; Q1327-E1329 PolarHBondContact O-N 3.49Å; Q1327-F1330 PolarHBondContact O-N 2.71Å; Q1327-H1331 WeakPolarHBondContact O-CB 3.28Å; Q1327-H1331 PolarHBondContact O-N 3.25Å
1328R81.4Confident84.6Confident97 Ų9751.2 Ų51.237%0.36627%0.27SS..Hα-helixtrans-58.6-44.2-176.2-172.4169.6-70.9105.3-1112.6S1325 E1326 H1331 C1332 M1364S1325-R1328 WeakPolarHBondContact O-CB 3.45Å; S1325-R1328 PolarHBondContact O-NH1 3.24Å; S1325-R1328 VanDerWaalsContact O-NH1 3.17Å; S1325-R1328 PolarHBondContact OG-NH2 3.43Å; E1326-R1328 VanDerWaalsContact C-N 3.28Å; E1326-R1328 PolarHBondContact O-N 3.32Å; R1328-H1331 PolarHBondContact O-N 3.46Å; R1328-C1332 WeakPolarHBondContact O-CB 3.23Å; R1328-C1332 PolarHBondContact O-N 3.18Å; R1328-C1332 PolarHBondContact O-SG 2.91Å; R1328-M1364 VanDerWaalsContact CA-CE 3.44Å; R1328-M1364 HydrophobicContact CB-CE 3.4Å; R1328-M1364 VanDerWaalsContact CB-CE 3.4Å; R1328-M1364 HydrophobicContact CG-CE 3.75Å
1329E80.9Confident84.9Confident169 Ų16956.2 Ų56.279%0.7929%0.291SS*.Hα-helixtrans-64.2-44.8-179.8-66.7-179.117600111.5Q1327 H1331 C1332 L1333Q1327-E1329 PolarHBondContact O-N 3.49Å; E1329-H1331 VanDerWaalsContact C-N 3.33Å; E1329-H1331 PolarHBondContact O-N 2.83Å; E1329-C1332 PolarHBondContact O-N 3.41Å; E1329-L1333 PolarHBondContact O-N 2.82Å
1330F86.7Confident84.9Confident53 Ų5363.2 Ų63.223%0.23232%0.324CS..Hα-helixtrans-61.4-42.6174.7175.5-107.3000111.8A1259 Q1263 H1319 Q1327 L1333 L1334A1259-F1330 HydrophobicContact CB-CE1 4.04Å; A1259-F1330 HydrophobicContact CB-CZ 4.48Å; Q1263-F1330 HydrophobicContact CB-CE2 4.38Å; Q1263-F1330 HydrophobicContact CB-CZ 4.15Å; Q1263-F1330 HydrophobicContact CG-CE2 4.27Å; H1319-F1330 AromaticContact CE1-CD1 3.83Å; H1319-F1330 AromaticContact NE2-CD1 3.85Å; H1319-F1330 AromaticContact NE2-CE1 3.65Å; Q1327-F1330 PolarHBondContact O-N 2.71Å; F1330-L1333 WeakPolarHBondContact O-CB 3.19Å; F1330-L1333 PolarHBondContact O-N 3.49Å; F1330-L1334 HydrophobicContact CD1-CD1 4.04Å; F1330-L1334 HydrophobicContact CD1-CG 4.46Å; F1330-L1334 HydrophobicContact CE1-CD1 3.45Å; F1330-L1334 VanDerWaalsContact CE1-CD1 3.45Å; F1330-L1334 HydrophobicContact CE1-CG 4.02Å; F1330-L1334 HydrophobicContact CE2-CD2 4.44Å; F1330-L1334 HydrophobicContact CE2-CG 4.42Å; F1330-L1334 HydrophobicContact CZ-CD1 3.83Å; F1330-L1334 HydrophobicContact CZ-CD2 4.05Å; F1330-L1334 HydrophobicContact CZ-CG 4Å; F1330-L1334 PolarHBondContact O-N 3.45Å
1331H89.7Confident85Confident1 Ų164.1 Ų64.11%0.00533%0.326CS..Hα-helixtrans-66.6-39.6177.1-177.563.7000112.3V1316 H1319 A1320 Q1327 R1328 E1329 L1333 L1334 V1335 L1362V1316-H1331 PolarHBondContact O-CE1 2.85Å; H1319-H1331 AromaticContact CG-ND1 3.99Å; H1319-H1331 AromaticContact ND1-CG 3.77Å; H1319-H1331 AromaticContact ND1-ND1 3.16Å; H1319-H1331 PolarHBondContact ND1-ND1 2.97Å; H1319-H1331 VanDerWaalsContact ND1-ND1 3.16Å; A1320-H1331 VanDerWaalsContact CB-CE1 3.4Å; A1320-H1331 WeakPolarHBondContact CB-CE1 2.88Å; A1320-H1331 WeakPolarHBondContact CB-NE2 3.44Å; Q1327-H1331 WeakPolarHBondContact O-CB 3.28Å; Q1327-H1331 PolarHBondContact O-N 3.25Å; R1328-H1331 PolarHBondContact O-N 3.46Å; E1329-H1331 VanDerWaalsContact C-N 3.33Å; E1329-H1331 PolarHBondContact O-N 2.83Å; H1331-L1333 VanDerWaalsContact C-N 3.26Å; H1331-L1333 PolarHBondContact O-N 3.02Å; H1331-L1334 WeakPolarHBondContact O-CB 3.15Å; H1331-L1334 PolarHBondContact O-N 2.92Å; H1331-L1334 VanDerWaalsContact O-N 3.15Å; H1331-V1335 WeakPolarHBondContact O-CG2 3.48Å; H1331-V1335 PolarHBondContact O-N 3.3Å; H1331-L1362 PolarHBondContact NE2-O 3Å
1332C88.8Confident85.3Confident66 Ų6662 Ų6245%0.44632%0.315SS..Hα-helixtrans-59.5-39.8173.3-67.40000111.3R1328 E1329 V1335 S1336R1328-C1332 WeakPolarHBondContact O-CB 3.23Å; R1328-C1332 PolarHBondContact O-N 3.18Å; R1328-C1332 PolarHBondContact O-SG 2.91Å; E1329-C1332 PolarHBondContact O-N 3.41Å; C1332-V1335 PolarHBondContact O-N 2.99Å; C1332-S1336 PolarHBondContact O-N 3.47Å; C1332-S1336 PolarHBondContact O-OG 3.32Å
1333L89.1Confident85.6Confident68 Ų6863.9 Ų63.936%0.35633%0.332SS..Hα-helixtrans-62.9-45.1173.7-178.967000111.8E1329 F1330 H1331 V1335 S1336 C1337E1329-L1333 PolarHBondContact O-N 2.82Å; F1330-L1333 WeakPolarHBondContact O-CB 3.19Å; F1330-L1333 PolarHBondContact O-N 3.49Å; H1331-L1333 VanDerWaalsContact C-N 3.26Å; H1331-L1333 PolarHBondContact O-N 3.02Å; L1333-V1335 VanDerWaalsContact C-N 3.31Å; L1333-V1335 PolarHBondContact O-N 3.01Å; L1333-S1336 WeakPolarHBondContact CA-OG 2.97Å; L1333-S1336 PolarHBondContact O-N 2.83Å; L1333-S1336 PolarHBondContact O-OG 3.25Å; L1333-C1337 WeakPolarHBondContact O-CB 3.42Å; L1333-C1337 PolarHBondContact O-N 3.01Å; L1333-C1337 PolarHBondContact O-SG 3.22Å
1334L89.6Confident86.1Confident4 Ų466.1 Ų66.12%0.02134%0.341CS..Hα-helixtrans-59.8-42.5175.1-70.3177.3000111.5L1262 Q1263 L1266 F1330 H1331 C1337 F1338L1262-L1334 HydrophobicContact CB-CD1 4.5Å; L1262-L1334 HydrophobicContact CB-CD2 4.26Å; L1262-L1334 HydrophobicContact CD1-CD1 4.5Å; Q1263-L1334 HydrophobicContact CB-CD2 4.44Å; L1266-L1334 HydrophobicContact CD1-CB 4.47Å; L1266-L1334 HydrophobicContact CD1-CD2 4.03Å; F1330-L1334 HydrophobicContact CD1-CD1 4.04Å; F1330-L1334 HydrophobicContact CD1-CG 4.46Å; F1330-L1334 HydrophobicContact CE1-CD1 3.45Å; F1330-L1334 VanDerWaalsContact CE1-CD1 3.45Å; F1330-L1334 HydrophobicContact CE1-CG 4.02Å; F1330-L1334 HydrophobicContact CE2-CD2 4.44Å; F1330-L1334 HydrophobicContact CE2-CG 4.42Å; F1330-L1334 HydrophobicContact CZ-CD1 3.83Å; F1330-L1334 HydrophobicContact CZ-CD2 4.05Å; F1330-L1334 HydrophobicContact CZ-CG 4Å; F1330-L1334 PolarHBondContact O-N 3.45Å; H1331-L1334 WeakPolarHBondContact O-CB 3.15Å; H1331-L1334 PolarHBondContact O-N 2.92Å; H1331-L1334 VanDerWaalsContact O-N 3.15Å; L1334-C1337 PolarHBondContact O-N 2.92Å; L1334-F1338 WeakPolarHBondContact O-CB 3.39Å; L1334-F1338 PolarHBondContact O-N 2.79Å
1335V89.6Confident86.5Confident4 Ų463.5 Ų63.52%0.02432%0.322CS..Hα-helixtrans-63.8-43177.7172.30000111.3V1316 H1331 C1332 L1333 F1338 K1339 L1362V1316-V1335 HydrophobicContact CG1-CG2 3.71Å; H1331-V1335 WeakPolarHBondContact O-CG2 3.48Å; H1331-V1335 PolarHBondContact O-N 3.3Å; C1332-V1335 PolarHBondContact O-N 2.99Å; L1333-V1335 VanDerWaalsContact C-N 3.31Å; L1333-V1335 PolarHBondContact O-N 3.01Å; V1335-F1338 PolarHBondContact O-N 3.05Å; V1335-K1339 HydrophobicContact CG1-CD 4.13Å; V1335-K1339 WeakPolarHBondContact O-CB 3.19Å; V1335-K1339 VanDerWaalsContact O-CG 3.3Å; V1335-K1339 WeakPolarHBondContact O-CG 3.39Å; V1335-K1339 PolarHBondContact O-N 2.82Å; V1335-L1362 HydrophobicContact CG2-CB 4.37Å
1336S88Confident87.2Confident61 Ų6162 Ų6243%0.42731%0.306SS..Hα-helixtrans-65.3-47177.258.30000111.9C1332 L1333 F1338 K1339 E1340C1332-S1336 PolarHBondContact O-N 3.47Å; C1332-S1336 PolarHBondContact O-OG 3.32Å; L1333-S1336 WeakPolarHBondContact CA-OG 2.97Å; L1333-S1336 PolarHBondContact O-N 2.83Å; L1333-S1336 PolarHBondContact O-OG 3.25Å; S1336-F1338 VanDerWaalsContact C-N 3.31Å; S1336-F1338 PolarHBondContact O-N 3.25Å; S1336-K1339 PolarHBondContact O-N 2.95Å; S1336-E1340 PolarHBondContact O-N 2.91Å; S1336-E1340 VanDerWaalsContact O-N 3.08Å
1337C89.6Confident87.7Confident16 Ų1660.6 Ų60.611%0.10830%0.3CS..Hα-helixtrans-63.6-38.9178.2-63.80000111.3L1266 Q1267 L1333 L1334 E1340 Y1341L1266-C1337 HydrophobicContact CB-CB 3.96Å; Q1267-C1337 HydrophobicContact CG-CB 4.45Å; Q1267-C1337 PolarHBondContact NE2-SG 3.46Å; L1333-C1337 WeakPolarHBondContact O-CB 3.42Å; L1333-C1337 PolarHBondContact O-N 3.01Å; L1333-C1337 PolarHBondContact O-SG 3.22Å; L1334-C1337 PolarHBondContact O-N 2.92Å; C1337-E1340 PolarHBondContact O-N 3.41Å; C1337-Y1341 WeakPolarHBondContact O-CB 3.17Å; C1337-Y1341 PolarHBondContact O-N 2.76Å
1338F92Very high87.9Confident1 Ų163.1 Ų63.10%0.00431%0.311CS..Hα-helixtrans-64.9-41.6174.8174.3-107.9000112.3L1266 V1309 L1312 E1313 V1316 L1334 V1335 S1336 E1340 Y1341 K1342 L1362L1266-F1338 HydrophobicContact CD1-CB 3.95Å; L1266-F1338 HydrophobicContact CD2-CB 4.09Å; L1266-F1338 HydrophobicContact CD2-CD2 4.21Å; V1309-F1338 HydrophobicContact CG1-CE2 4.36Å; V1309-F1338 HydrophobicContact CG1-CZ 4.36Å; L1312-F1338 HydrophobicContact CB-CD2 3.87Å; L1312-F1338 HydrophobicContact CB-CE2 3.73Å; E1313-F1338 HydrophobicContact CB-CE1 4Å; E1313-F1338 HydrophobicContact CB-CE2 4.13Å; E1313-F1338 HydrophobicContact CB-CZ 3.43Å; E1313-F1338 VanDerWaalsContact CB-CZ 3.43Å; E1313-F1338 HydrophobicContact CG-CE1 3.83Å; E1313-F1338 HydrophobicContact CG-CZ 3.74Å; V1316-F1338 HydrophobicContact CG2-CB 4.22Å; V1316-F1338 HydrophobicContact CG2-CG 4.34Å; L1334-F1338 WeakPolarHBondContact O-CB 3.39Å; L1334-F1338 PolarHBondContact O-N 2.79Å; V1335-F1338 PolarHBondContact O-N 3.05Å; S1336-F1338 VanDerWaalsContact C-N 3.31Å; S1336-F1338 PolarHBondContact O-N 3.25Å; F1338-E1340 VanDerWaalsContact C-N 3.35Å; F1338-E1340 PolarHBondContact O-N 3.3Å; F1338-Y1341 PolarHBondContact O-N 3.49Å; F1338-K1342 HydrophobicContact CE1-CB 4.46Å; F1338-K1342 HydrophobicContact CE1-CD 3.89Å; F1338-K1342 HydrophobicContact CE2-CB 4.26Å; F1338-K1342 HydrophobicContact CZ-CB 4.14Å; F1338-K1342 HydrophobicContact CZ-CD 3.75Å; F1338-K1342 HydrophobicContact CZ-CG 4.38Å; F1338-K1342 WeakPolarHBondContact O-CB 3.44Å; F1338-K1342 PolarHBondContact O-N 2.97Å; F1338-L1362 HydrophobicContact CD1-CD1 4.06Å; F1338-L1362 HydrophobicContact CE1-CD1 3.95Å
1339K90.5Very high88.2Confident115 Ų11559.8 Ų59.850%0.530%0.299SS..Hα-helixtrans-60.9-44.6176.7-77.5171.2179.51710111.4V1335 S1336 S1343V1335-K1339 HydrophobicContact CG1-CD 4.13Å; V1335-K1339 WeakPolarHBondContact O-CB 3.19Å; V1335-K1339 VanDerWaalsContact O-CG 3.3Å; V1335-K1339 WeakPolarHBondContact O-CG 3.39Å; V1335-K1339 PolarHBondContact O-N 2.82Å; S1336-K1339 PolarHBondContact O-N 2.95Å; K1339-S1343 WeakPolarHBondContact O-CB 3.44Å; K1339-S1343 PolarHBondContact O-N 2.86Å
1340E88.4Confident88.3Confident147 Ų14753.1 Ų53.169%0.68728%0.276SS*.Hα-helixtrans-64.2-49.6176.1-173.3176.1-177.600111.5S1336 C1337 F1338 K1342 S1343 H1344S1336-E1340 PolarHBondContact O-N 2.91Å; S1336-E1340 VanDerWaalsContact O-N 3.08Å; C1337-E1340 PolarHBondContact O-N 3.41Å; F1338-E1340 VanDerWaalsContact C-N 3.35Å; F1338-E1340 PolarHBondContact O-N 3.3Å; E1340-K1342 PolarHBondContact O-N 3.32Å; E1340-S1343 WeakPolarHBondContact O-CB 3.24Å; E1340-S1343 PolarHBondContact O-N 3Å; E1340-H1344 PolarHBondContact O-N 3Å
1341Y89.3Confident88.3Confident25 Ų2555.6 Ų55.610%0.09830%0.295CS..Hα-helixtrans-59.6-45.8177.9-177.6-91000112.3L1266 I1274 Q1308 V1309 L1312 C1337 F1338 S1343 H1344 V1345L1266-Y1341 HydrophobicContact CD2-CD1 4.25Å; L1266-Y1341 HydrophobicContact CD2-CG 4.04Å; I1274-Y1341 HydrophobicContact CD1-CD2 4.35Å; I1274-Y1341 HydrophobicContact CD1-CE2 3.56Å; I1274-Y1341 HydrophobicContact CG1-CE2 4.08Å; Q1308-Y1341 PolarHBondContact OE1-OH 3.03Å; V1309-Y1341 HydrophobicContact CG2-CE1 4.35Å; L1312-Y1341 HydrophobicContact CD1-CD1 3.84Å; L1312-Y1341 HydrophobicContact CD1-CE1 3.46Å; L1312-Y1341 VanDerWaalsContact CD1-CE1 3.46Å; C1337-Y1341 WeakPolarHBondContact O-CB 3.17Å; C1337-Y1341 PolarHBondContact O-N 2.76Å; F1338-Y1341 PolarHBondContact O-N 3.49Å; Y1341-S1343 PolarHBondContact O-N 2.81Å; Y1341-H1344 PolarHBondContact O-N 2.71Å; Y1341-V1345 HydrophobicContact CD1-CG2 4.08Å; Y1341-V1345 HydrophobicContact CD2-CG2 4.47Å; Y1341-V1345 HydrophobicContact CE1-CB 4.48Å; Y1341-V1345 HydrophobicContact CE1-CG2 3.63Å; Y1341-V1345 HydrophobicContact CE2-CG2 4.08Å; Y1341-V1345 HydrophobicContact CG-CG2 4.47Å; Y1341-V1345 WeakPolarHBondContact O-CB 3.48Å; Y1341-V1345 WeakPolarHBondContact O-CG2 3.41Å; Y1341-V1345 PolarHBondContact O-N 2.86Å
1342K89.7Confident88Confident51 Ų5159.5 Ų59.522%0.22231%0.31CS..Hα-helixtrans-59.8-46.4176.2177.8175.2-175177.40110.7V1309 E1313 F1338 E1340 H1344 V1345 Q1346V1309-K1342 HydrophobicContact CG1-CB 4.33Å; V1309-K1342 HydrophobicContact CG1-CD 4.2Å; V1309-K1342 HydrophobicContact CG1-CG 3.81Å; E1313-K1342 IonicContact OE1-NZ 2.68Å; E1313-K1342 PolarHBondContact OE1-NZ 3.4Å; F1338-K1342 HydrophobicContact CE1-CB 4.46Å; F1338-K1342 HydrophobicContact CE1-CD 3.89Å; F1338-K1342 HydrophobicContact CE2-CB 4.26Å; F1338-K1342 HydrophobicContact CZ-CB 4.14Å; F1338-K1342 HydrophobicContact CZ-CD 3.75Å; F1338-K1342 HydrophobicContact CZ-CG 4.38Å; F1338-K1342 WeakPolarHBondContact O-CB 3.44Å; F1338-K1342 PolarHBondContact O-N 2.97Å; E1340-K1342 PolarHBondContact O-N 3.32Å; K1342-H1344 PolarHBondContact O-N 2.82Å; K1342-V1345 PolarHBondContact O-N 2.99Å; K1342-Q1346 HydrophobicContact CG-CG 4.16Å; K1342-Q1346 WeakPolarHBondContact O-CB 3.35Å; K1342-Q1346 WeakPolarHBondContact O-CG 3.48Å; K1342-Q1346 PolarHBondContact O-N 3.25Å
1343S87.6Confident87.8Confident73 Ų7362.6 Ų62.651%0.5133%0.326SS..Hα-helixtrans-59.2-47.7177.7-170.10000111.4K1339 E1340 Y1341 Q1347K1339-S1343 WeakPolarHBondContact O-CB 3.44Å; K1339-S1343 PolarHBondContact O-N 2.86Å; E1340-S1343 WeakPolarHBondContact O-CB 3.24Å; E1340-S1343 PolarHBondContact O-N 3Å; Y1341-S1343 PolarHBondContact O-N 2.81Å; S1343-Q1347 VanDerWaalsContact O-CB 3.28Å; S1343-Q1347 WeakPolarHBondContact O-CB 3.49Å; S1343-Q1347 PolarHBondContact O-N 2.83Å
1344H88.7Confident87.5Confident58 Ų5861.9 Ų61.927%0.26933%0.327SS..Hα-helixtrans-60.8-51.7178.1179.875.4000112E1278 E1340 Y1341 K1342 Q1346 Q1347 H1348E1278-H1344 IonicContact OE1-CD2 3.68Å; E1278-H1344 IonicContact OE1-CE1 3.71Å; E1278-H1344 IonicContact OE1-NE2 2.75Å; E1278-H1344 PolarHBondContact OE1-NE2 2.87Å; E1278-H1344 IonicContact OE2-CE1 3.72Å; E1278-H1344 IonicContact OE2-NE2 3.26Å; E1278-H1344 PolarHBondContact OE2-NE2 3.24Å; E1340-H1344 PolarHBondContact O-N 3Å; Y1341-H1344 PolarHBondContact O-N 2.71Å; K1342-H1344 PolarHBondContact O-N 2.82Å; H1344-Q1346 PolarHBondContact O-N 2.66Å; H1344-Q1347 PolarHBondContact O-N 3.4Å; H1344-H1348 AromaticContact CE1-CD2 3.66Å; H1344-H1348 AromaticContact CE1-NE2 3.99Å; H1344-H1348 AromaticContact ND1-CD2 3.79Å; H1344-H1348 PolarHBondContact O-CD2 2.98Å; H1344-H1348 PolarHBondContact O-N 3.01Å; H1344-H1348 VanDerWaalsContact O-N 3.14Å
1345V87.1Confident87.3Confident0 Ų066.1 Ų66.10%035%0.349CS..Hα-helixtrans-66.7-40-176.9169.70000111.8I1274 I1305 V1309 Y1341 K1342 Q1347 H1348 Y1349I1274-V1345 HydrophobicContact CD1-CG2 3.7Å; I1305-V1345 HydrophobicContact CG2-CG1 4.09Å; I1305-V1345 HydrophobicContact CG2-CG2 4.09Å; V1309-V1345 HydrophobicContact CG2-CB 3.9Å; V1309-V1345 HydrophobicContact CG2-CG1 3.45Å; V1309-V1345 VanDerWaalsContact CG2-CG1 3.45Å; Y1341-V1345 HydrophobicContact CD1-CG2 4.08Å; Y1341-V1345 HydrophobicContact CD2-CG2 4.47Å; Y1341-V1345 HydrophobicContact CE1-CB 4.48Å; Y1341-V1345 HydrophobicContact CE1-CG2 3.63Å; Y1341-V1345 HydrophobicContact CE2-CG2 4.08Å; Y1341-V1345 HydrophobicContact CG-CG2 4.47Å; Y1341-V1345 WeakPolarHBondContact O-CB 3.48Å; Y1341-V1345 WeakPolarHBondContact O-CG2 3.41Å; Y1341-V1345 PolarHBondContact O-N 2.86Å; K1342-V1345 PolarHBondContact O-N 2.99Å; V1345-Q1347 VanDerWaalsContact C-N 3.33Å; V1345-Q1347 PolarHBondContact O-N 3.47Å; V1345-H1348 PolarHBondContact O-N 2.99Å; V1345-Y1349 HydrophobicContact CB-CD2 4.22Å; V1345-Y1349 HydrophobicContact CG1-CD2 3.9Å; V1345-Y1349 HydrophobicContact CG2-CD2 4.35Å; V1345-Y1349 WeakPolarHBondContact O-CA 3.38Å; V1345-Y1349 WeakPolarHBondContact O-CB 3.35Å; V1345-Y1349 WeakPolarHBondContact O-CD2 3.29Å; V1345-Y1349 PolarHBondContact O-N 3.15Å
1346Q89.4Confident87Confident50 Ų5067.4 Ų67.423%0.23436%0.356CS..Hα-helixtrans-68.1-34.5178.7-71.5-177-27.500112.4K1342 H1344 G1350 V1351K1342-Q1346 HydrophobicContact CG-CG 4.16Å; K1342-Q1346 WeakPolarHBondContact O-CB 3.35Å; K1342-Q1346 WeakPolarHBondContact O-CG 3.48Å; K1342-Q1346 PolarHBondContact O-N 3.25Å; H1344-Q1346 PolarHBondContact O-N 2.66Å; Q1346-G1350 WeakPolarHBondContact O-CA 3.43Å; Q1346-G1350 PolarHBondContact O-N 3.29Å; Q1346-V1351 HydrophobicContact CB-CG2 4.16Å; Q1346-V1351 HydrophobicContact CG-CG2 4.28Å
1347Q86.2Confident86.5Confident152 Ų15268.4 Ų68.471%0.7136%0.361SS*.Hα-helixtrans-65.9-38.4175.2-178.4176.3-3.800112.1S1343 H1344 V1345S1343-Q1347 VanDerWaalsContact O-CB 3.28Å; S1343-Q1347 WeakPolarHBondContact O-CB 3.49Å; S1343-Q1347 PolarHBondContact O-N 2.83Å; H1344-Q1347 PolarHBondContact O-N 3.4Å; V1345-Q1347 VanDerWaalsContact C-N 3.33Å; V1345-Q1347 PolarHBondContact O-N 3.47Å
1348H83.7Confident85.7Confident114 Ų11477.1 Ų77.153%0.52840%0.4SS..Hα-helixtrans-97.4-31.6-173.4-77.2-80.5000115.1H1344 V1345H1344-H1348 AromaticContact CE1-CD2 3.66Å; H1344-H1348 AromaticContact CE1-NE2 3.99Å; H1344-H1348 AromaticContact ND1-CD2 3.79Å; H1344-H1348 PolarHBondContact O-CD2 2.98Å; H1344-H1348 PolarHBondContact O-N 3.01Å; H1344-H1348 VanDerWaalsContact O-N 3.14Å; V1345-H1348 PolarHBondContact O-N 2.99Å
1349Y86.8Confident84.8Confident27 Ų2784.4 Ų84.411%0.10644%0.439CS..Hα-helixtrans-124.70.3-170.5-47.9-72.8000113.8E1278 F1282 K1302 I1305 V1345E1278-Y1349 WeakPolarHBondContact CG-OH 3.36Å; E1278-Y1349 PolarHBondContact OE1-OH 3.49Å; F1282-Y1349 AromaticContact CD2-CE1 3.85Å; F1282-Y1349 HydrophobicContact CD2-CE1 3.85Å; F1282-Y1349 AromaticContact CD2-CZ 3.97Å; F1282-Y1349 WeakPolarHBondContact CD2-OH 3.47Å; F1282-Y1349 AromaticContact CE2-CE1 3.57Å; F1282-Y1349 HydrophobicContact CE2-CE1 3.57Å; F1282-Y1349 AromaticContact CE2-CZ 3.74Å; F1282-Y1349 WeakPolarHBondContact CE2-OH 3.38Å; F1282-Y1349 HydrophobicContact CZ-CE1 4.24Å; K1302-Y1349 HydrophobicContact CB-CD1 3.85Å; K1302-Y1349 HydrophobicContact CB-CE1 4.47Å; K1302-Y1349 HydrophobicContact CD-CD1 4.41Å; K1302-Y1349 HydrophobicContact CG-CD1 3.73Å; K1302-Y1349 HydrophobicContact CG-CE1 3.94Å; I1305-Y1349 HydrophobicContact CG2-CD2 3.81Å; I1305-Y1349 HydrophobicContact CG2-CE2 3.92Å; I1305-Y1349 HydrophobicContact CG2-CG 4.33Å; V1345-Y1349 HydrophobicContact CB-CD2 4.22Å; V1345-Y1349 HydrophobicContact CG1-CD2 3.9Å; V1345-Y1349 HydrophobicContact CG2-CD2 4.35Å; V1345-Y1349 WeakPolarHBondContact O-CA 3.38Å; V1345-Y1349 WeakPolarHBondContact O-CB 3.35Å; V1345-Y1349 WeakPolarHBondContact O-CD2 3.29Å; V1345-Y1349 PolarHBondContact O-N 3.15Å
1350G83.9Confident84.2Confident30 Ų3080.2 Ų80.231%0.30943%0.426SS..  trans92.7161.2174.900000114.7Q1346Q1346-G1350 WeakPolarHBondContact O-CA 3.43Å; Q1346-G1350 PolarHBondContact O-N 3.29Å
1351V86Confident83.8Confident105 Ų10577.8 Ų77.864%0.63642%0.421SS*.  trans-79.1139.4-177.5-178.40000110.4Q1346Q1346-V1351 HydrophobicContact CB-CG2 4.16Å; Q1346-V1351 HydrophobicContact CG-CG2 4.28Å
1352R84.5Confident83.5Confident83 Ų8377.9 Ų77.931%0.31342%0.423SS..  trans-118.7149.4171.5-68.1-67.4-175.9-83.42.4110D1303 A1306 P1310D1303-R1352 IonicContact OD1-CZ 3.7Å; D1303-R1352 IonicContact OD1-NE 3.88Å; D1303-R1352 IonicContact OD1-NH2 2.72Å; D1303-R1352 PolarHBondContact OD1-NH2 3.37Å; A1306-R1352 HydrophobicContact CB-CG 4.05Å; A1306-R1352 WeakPolarHBondContact O-CG 3.22Å; P1310-R1352 HydrophobicContact CG-CB 3.57Å
1353V84.4Confident82.9Confident130 Ų13079.5 Ų79.579%0.78843%0.434SS*.  trans-67.3134.8-177.9-177.40000109.9P1310P1310-V1353 WeakPolarHBondContact CB-O 3.25Å; P1310-V1353 VanDerWaalsContact CG-O 3.29Å; P1310-V1353 WeakPolarHBondContact CG-O 3.23Å
1354S83.5Confident82.2Confident53 Ų5377.4 Ų77.437%0.37142%0.417SS..  trans-65.8143.8176.8-172.30000111.3E1313 L1356E1313-S1354 WeakPolarHBondContact OE2-CB 3.49Å; E1313-S1354 PolarHBondContact OE2-OG 2.99Å; S1354-L1356 VanDerWaalsContact C-N 3.32Å; S1354-L1356 PolarHBondContact OG-N 2.76Å
1355L83.5Confident81.1Confident94 Ų9479.3 Ų79.349%0.49243%0.434SS..  trans-90.83172.5-64.9172.7000112.6P1310 L1311 K1314P1310-L1355 HydrophobicContact CB-CD1 3.91Å; P1310-L1355 HydrophobicContact CB-CG 3.75Å; L1311-L1355 HydrophobicContact CD2-CD1 3.9Å; K1314-L1355 HydrophobicContact CB-CB 4.35Å; K1314-L1355 HydrophobicContact CD-CB 4.15Å; K1314-L1355 HydrophobicContact CD-CD1 4.22Å
1356L84.6Confident79.6Confident30 Ų3090.3 Ų90.316%0.15748%0.475CS..SBendtrans-91152.3-175.7-64.1-174.3000112.8E1313 K1314 Y1317 S1354 A1360 L1362E1313-L1356 HydrophobicContact CG-CD1 3.64Å; E1313-L1356 HydrophobicContact CG-CG 4.13Å; K1314-L1356 HydrophobicContact CB-CD2 4.47Å; Y1317-L1356 HydrophobicContact CD1-CD2 3.45Å; Y1317-L1356 VanDerWaalsContact CD1-CD2 3.45Å; Y1317-L1356 HydrophobicContact CD2-CD1 4.33Å; Y1317-L1356 HydrophobicContact CD2-CD2 4.21Å; Y1317-L1356 HydrophobicContact CE1-CD2 4.16Å; Y1317-L1356 HydrophobicContact CG-CD1 4.2Å; Y1317-L1356 HydrophobicContact CG-CD2 3.45Å; Y1317-L1356 VanDerWaalsContact CG-CD2 3.45Å; Y1317-L1356 HydrophobicContact CG-CG 4.48Å; S1354-L1356 VanDerWaalsContact C-N 3.32Å; S1354-L1356 PolarHBondContact OG-N 2.76Å; L1356-A1360 HydrophobicContact CB-CB 3.76Å; L1356-A1360 HydrophobicContact CD1-CB 4Å; L1356-A1360 HydrophobicContact CG-CB 4.36Å; L1356-L1362 HydrophobicContact CD1-CD2 3.97Å
1357P77.3Confident77.7Confident82 Ų8292.9 Ų92.953%0.53251%0.505SS..  trans-58.4149.3166.7-2130.5000112.4N1359 A1360P1357-N1359 PolarHBondContact O-N 2.64Å; P1357-A1360 WeakPolarHBondContact O-CB 3.18Å; P1357-A1360 PolarHBondContact O-N 2.76Å
1358E72Confident75.3Confident199 Ų19993.5 Ų93.593%0.9351%0.508SS*.THydrogen-bonded Turntrans-55.3-25.4-175.2-70.4-177.516400114.8
1359N73.4Confident73Confident154 Ų15493.5 Ų93.582%0.82452%0.521SS*.THydrogen-bonded Turntrans-105.215.7-179.9-63.1-32.9000113.6P1357 V1361P1357-N1359 PolarHBondContact O-N 2.64Å; N1359-V1361 PolarHBondContact O-N 2.97Å
1360A78.4Confident70.4Confident27 Ų2798.4 Ų98.422%0.22355%0.548CS..  trans-73.8122.2-179.900000111.4Y1317 L1356 P1357Y1317-A1360 HydrophobicContact CD2-CB 4Å; Y1317-A1360 HydrophobicContact CE2-CB 3.55Å; L1356-A1360 HydrophobicContact CB-CB 3.76Å; L1356-A1360 HydrophobicContact CD1-CB 4Å; L1356-A1360 HydrophobicContact CG-CB 4.36Å; P1357-A1360 WeakPolarHBondContact O-CB 3.18Å; P1357-A1360 PolarHBondContact O-N 2.76Å
1361V80.3Confident67.7Low96 Ų96105.3 Ų105.358%0.58257%0.573SS**  trans-101.8127.4173.1-171.80000108.2N1359 D1363N1359-V1361 PolarHBondContact O-N 2.97Å; V1361-D1363 VanDerWaalsContact C-N 3.28Å; V1361-D1363 HydrophobicContact CG1-CB 3.99Å
1362L83.1Confident64.9Low27 Ų27109.6 Ų109.614%0.14158%0.583CS.*SBendtrans-70.2-27.6176.9-70170000112E1313 V1316 A1320 H1331 V1335 F1338 L1356E1313-L1362 HydrophobicContact CG-CD2 4.21Å; V1316-L1362 HydrophobicContact CB-CD2 4.35Å; V1316-L1362 HydrophobicContact CG1-CD2 4.09Å; A1320-L1362 WeakPolarHBondContact CB-O 3.41Å; H1331-L1362 PolarHBondContact NE2-O 3Å; V1335-L1362 HydrophobicContact CG2-CB 4.37Å; F1338-L1362 HydrophobicContact CD1-CD1 4.06Å; F1338-L1362 HydrophobicContact CE1-CD1 3.95Å; L1356-L1362 HydrophobicContact CD1-CD2 3.97Å
1363D76.6Confident62.2Low86 Ų86115.1 Ų115.146%0.4661%0.612SS.*SBendtrans-69.1141.7176.8-64.9-33000110.9V1361V1361-D1363 VanDerWaalsContact C-N 3.28Å; V1361-D1363 HydrophobicContact CG1-CB 3.99Å
1364M72.5Confident59.4Low29 Ų29117.5 Ų117.514%0.14361%0.614CS.*PPolyproline II helixtrans-56.4133.9174.6-118.6-135.7-84.500110.4A1320 C1323 S1324 R1328 R1366A1320-M1364 WeakPolarHBondContact O-CG 3.37Å; C1323-M1364 VanDerWaalsContact SG-CE 3.55Å; S1324-M1364 WeakPolarHBondContact O-CE 3.41Å; R1328-M1364 VanDerWaalsContact CA-CE 3.44Å; R1328-M1364 HydrophobicContact CB-CE 3.4Å; R1328-M1364 VanDerWaalsContact CB-CE 3.4Å; R1328-M1364 HydrophobicContact CG-CE 3.75Å; M1364-R1366 PolarHBondContact O-N 2.94Å
1365P66.3Low56.7Low98 Ų98120.2 Ų120.264%0.63663%0.633SS**PPolyproline II helixtrans-52.4126.5-178.1-24.931.4000111.8A1367P1365-A1367 PolarHBondContact O-N 3.27Å
1366R55.5Low53.8Low230 Ų230123.2 Ų123.287%0.86865%0.646SS**PPolyproline II helixtrans-62.4128.1167.3-94.3-177.9177.1151.60.6107.4M1364 Q1368M1364-R1366 PolarHBondContact O-N 2.94Å; R1366-Q1368 VanDerWaalsContact C-N 3.28Å; R1366-Q1368 PolarHBondContact O-N 3.24Å
1367A48.7Very low51.1Low104 Ų104128.1 Ų128.186%0.8667%0.673SS**  trans-57.989.6174.100000109.9P1365P1365-A1367 PolarHBondContact O-N 3.27Å
1368Q37.5Very low48.6Very low166 Ų166127.1 Ų127.178%0.77668%0.678SS**  trans-85.7116.6175.7-80.5-174.5-15.200109R1366 L1370R1366-Q1368 VanDerWaalsContact C-N 3.28Å; R1366-Q1368 PolarHBondContact O-N 3.24Å; Q1368-L1370 PolarHBondContact O-N 3.01Å
1369S35.2Very low46.6Very low113 Ų113129.2 Ų129.279%0.7968%0.679SS**  trans-78.288.7172.256.40000110.5
1370L31.1Very low44.2Very low131 Ų131129.8 Ų129.869%0.68668%0.678SS**  trans-138.7104.5166.1-78.8169.2000107.5Q1368Q1368-L1370 PolarHBondContact O-N 3.01Å
1371Q28.1Very low41.8Very low175 Ų175137.5 Ų137.582%0.81871%0.707SS**  68100.694.9-87-176.4-24.700112.8Q1373Q1371-Q1373 PolarHBondContact O-N 2.91Å
1372K27.5Very low39.2Very low195 Ų195138.9 Ų138.985%0.84871%0.711SS**  trans-43.9123164.4-67171173179.40111
1373Q25.8Very low36.4Very low198 Ų198144.8 Ų144.893%0.92574%0.743SS**  trans-122.7127.9149.8-85.7-170.7-29.100109.4Q1371Q1371-Q1373 PolarHBondContact O-N 2.91Å
1374H26.1Very low34.2Very low181 Ų181147.6 Ų147.684%0.83876%0.763SS**  trans-70.6144.6-178-78-109.3000112.1
1375S26.2Very low31.8Very low110 Ų110156.7 Ų156.777%0.76980%0.796SS**  trans-164.9120.8137.4-172.40000110
1376M24Very low29.9Very low156 Ų156156.9 Ų156.977%0.76880%0.799SS**  trans17.3137.7138.5-83.3171.371.600117.9
1377D27.6Very low28.9Very low134 Ų134150.4 Ų150.472%0.71779%0.787SS**  cis-154.9137.421.3-77.2-50.1000106.1
1378G23.8Very low28Very low61 Ų61154.1 Ų154.163%0.62979%0.786SS**  93.482.27400000111
1379Y29.9Very low27.3Very low242 Ų242151.1 Ų151.195%0.94978%0.784SS**  trans-156122.7147.1-86.8-71000110
1380M23.4Very low26.9Very low166 Ų166153.2 Ų153.282%0.81879%0.786SS**  trans-77.9147.6176.1-61.1-99.688.200110.7
1381F27.7Very low26.6Very low190 Ų190152 Ų15283%0.83379%0.788SS**  -174.5111120.1-118.3-93.5000112.4
1382N26.8Very low26.6Very low125 Ų125151.4 Ų151.467%0.66879%0.79SS**  trans34.6109.1141.9-65.2-10000123
1383D25Very low26.6Very low151 Ų151147.8 Ų147.881%0.80778%0.784SS**  31116.2115.1-81.7-32.2000120.7
1384V28.4Very low26.5Very low145 Ų145144.7 Ų144.788%0.87977%0.774SS**  trans-14497.1133.1-176.10000111.1
1385R22.6Very low26.4Very low219 Ų219147.4 Ų147.483%0.82678%0.777SS**  59.7100.1122.7-135.2173.5-159.1-179.15.1121.9
1386S26.6Very low26.2Very low102 Ų102150.6 Ų150.671%0.71378%0.777SS**  71.7166.7127.376.80000120.8
1387P35.3Very low26.2Very low94 Ų94149.7 Ų149.761%0.6178%0.78SS**  -132.5168.4-63.537.2-21.2000111.2
1388H28.5Very low26Very low182 Ų182151.4 Ų151.484%0.84379%0.789SS**  173.5115129.6-85.8-49000110.2
1389S24Very low26Very low104 Ų104153.1 Ų153.173%0.72779%0.792SS**  trans-68.9139161.6600000109.4
1390N27Very low25.7Very low156 Ų156148.3 Ų148.383%0.83479%0.787SS**  trans-151.3112.9137.4-98-21.7000109.5
1391S25.2Very low25.7Very low105 Ų105151 Ų15173%0.73479%0.788SS**  trans-68.5126.6164.765.60000109.2
1392L27.3Very low25.4Very low163 Ų163148.3 Ų148.385%0.85378%0.783SS**  trans-13786157.9-94.1152.9000108.5
1393V26.8Very low25.2Very low120 Ų120154.4 Ų154.473%0.72780%0.796SS**  trans27.198.2133.7-170.40000116.8R1395V1393-R1395 PolarHBondContact O-N 2.89Å
1394N24.1Very low25.1Very low132 Ų132155.9 Ų155.971%0.70680%0.799SS**  trans-9.599.7134.1-155.95.2000115.6
1395R23.8Very low24.9Very low238 Ų238151.5 Ų151.590%0.89878%0.783SS**  trans-108102.5153-88.8-170.4-165.5176.56.2109.2V1393V1393-R1395 PolarHBondContact O-N 2.89Å
1396K22.9Very low24.8Very low178 Ų178145.3 Ų145.377%0.77477%0.773SS**  trans-64.7124.6157.8-66.7175.7174.3-179.80109
1397T24.6Very low24.6Very low137 Ų137147.4 Ų147.484%0.8478%0.781SS**  trans-155.9123.6143.748.50000110
1398N22.6Very low23.9Very low169 Ų169146.9 Ų146.990%0.90478%0.78SS**  trans-45.5136.2168.9-71.1-23.2000113.3
1399S23.6Very low23.6Very low98 Ų98143.4 Ų143.469%0.68577%0.772SS**  trans-171.8111.3133.1-178.20000108.4R1401S1399-R1401 PolarHBondContact O-N 3.46Å
1400V22.7Very low23.7Very low140 Ų140144.2 Ų144.285%0.84878%0.775SS**  trans-61.698.3166.5175.80000106.4
1401R23.8Very low23.6Very low223 Ų223148.2 Ų148.284%0.84278%0.778SS**  trans-99.8114.5164.4-100.3-175.9174.1175.5-1.3106.9S1399 W1403S1399-R1401 PolarHBondContact O-N 3.46Å; R1401-W1403 PolarHBondContact O-N 2.85Å
1402D22.9Very low23.5Very low134 Ų134150.9 Ų150.972%0.71778%0.784SS**  trans-37.3127.1173.2-62.5-52.3000111.3Q1404D1402-Q1404 PolarHBondContact O-N 2.64Å
1403W22.7Very low23.3Very low252 Ų252149.3 Ų149.396%0.95578%0.775SS**  trans-63.679.2167.8-9382.9000109.2R1401 G1405R1401-W1403 PolarHBondContact O-N 2.85Å; W1403-G1405 PolarHBondContact O-N 3.08Å
1404Q22.6Very low23Very low183 Ų183154.5 Ų154.586%0.85578%0.782SS**  trans-78.665.7152.8-70.5-173.8-4.800107.5D1402 S1406D1402-Q1404 PolarHBondContact O-N 2.64Å; Q1404-S1406 PolarHBondContact O-N 3.4Å
1405G22.9Very low23Very low53 Ų53153.1 Ų153.155%0.54678%0.783SS.*  trans-72.485.1167.400000108.5W1403 T1407W1403-G1405 PolarHBondContact O-N 3.08Å; G1405-T1407 PolarHBondContact O-N 3Å
1406S21.3Very low23Very low89 Ų89145.1 Ų145.162%0.62277%0.774SS**  trans-8114.3160.6-175.70000113.5Q1404 S1408Q1404-S1406 PolarHBondContact O-N 3.4Å; S1406-S1408 PolarHBondContact O-N 3.03Å; S1406-S1408 PolarHBondContact O-OG 2.66Å
1407T21.1Very low23.1Very low145 Ų145141.2 Ų141.289%0.8976%0.76SS**  trans-54.576.4159.136.60000109.7G1405G1405-T1407 PolarHBondContact O-N 3Å
1408S21.7Very low22.9Very low84 Ų84141.2 Ų141.259%0.58775%0.752SS**  trans-116.776.216248.10000104.5S1406 P1410S1406-S1408 PolarHBondContact O-N 3.03Å; S1406-S1408 PolarHBondContact O-OG 2.66Å; S1408-P1410 WeakPolarHBondContact O-CD 3.46Å; S1408-P1410 VanDerWaalsContact O-N 3.13Å
1409T23Very low22.9Very low109 Ų109137.1 Ų137.167%0.66973%0.733SS**  trans-44.2118.7172.238.70000109.4W1411T1409-W1411 VanDerWaalsContact C-N 3.31Å; T1409-W1411 PolarHBondContact O-N 3.1Å
1410P24.4Very low22.9Very low121 Ų121137.7 Ų137.779%0.78673%0.733SS**  trans-72.685.7171.8-12.428.7000110S1408 L1412S1408-P1410 WeakPolarHBondContact O-CD 3.46Å; S1408-P1410 VanDerWaalsContact O-N 3.13Å; P1410-L1412 VanDerWaalsContact C-N 3.27Å; P1410-L1412 PolarHBondContact O-N 2.89Å
1411W25Very low22.8Very low239 Ų239139.6 Ų139.691%0.90574%0.737SS**SBendtrans2226.3141.8-6365.8000122.6T1409T1409-W1411 VanDerWaalsContact C-N 3.31Å; T1409-W1411 PolarHBondContact O-N 3.1Å
1412L23Very low22.8Very low162 Ų162132.1 Ų132.185%0.84872%0.719SS**  trans-127.713.9174.8-73.7177.1000116.1P1410P1410-L1412 VanDerWaalsContact C-N 3.27Å; P1410-L1412 PolarHBondContact O-N 2.89Å
1413L23.3Very low22.8Very low130 Ų130131.7 Ų131.768%0.68173%0.727SS**  trans-119.363.6164.3-72.8167.9000110.2
1414R21.8Very low22.7Very low228 Ų228122.8 Ų122.886%0.8670%0.703SS**  trans-118.250.6155.9-114.2-172.1-168.4-128.84.6109.2G1416R1414-G1416 PolarHBondContact O-N 2.73Å
1415S23.7Very low22.7Very low103 Ų103119.6 Ų119.672%0.7270%0.701SS**SBendtrans-76.1101.3155.4-172.50000107.3M1417S1415-M1417 PolarHBondContact O-N 2.79Å; S1415-M1417 VanDerWaalsContact O-N 3.13Å
1416G23.9Very low22.7Very low70 Ų70123.1 Ų123.172%0.72271%0.712SS**SBendtrans13.577.6163.700000119.4R1414R1414-G1416 PolarHBondContact O-N 2.73Å
1417M23.8Very low22.7Very low97 Ų97124.5 Ų124.548%0.47872%0.718SS.*  trans-145.388.4149.7-84.6-15515000109.3L1195 V1228 S1415 T1419L1195-M1417 HydrophobicContact CD1-CE 4.26Å; V1228-M1417 HydrophobicContact CG1-CE 3.51Å; S1415-M1417 PolarHBondContact O-N 2.79Å; S1415-M1417 VanDerWaalsContact O-N 3.13Å; M1417-T1419 PolarHBondContact O-N 3.46Å; M1417-T1419 VanDerWaalsContact O-N 3.12Å
1418M21.7Very low22.8Very low136 Ų136129.4 Ų129.467%0.6772%0.72SS**  trans-67.7102.2174.3-78.7176.1117.200110.7R1169 T1420R1169-M1418 PolarHBondContact NE-O 3.31Å; R1169-M1418 VanDerWaalsContact NE-O 3.09Å; R1169-M1418 PolarHBondContact NH1-O 3.38Å; R1169-M1418 PolarHBondContact NH2-O 3.42Å; M1418-T1420 PolarHBondContact O-N 3.08Å
1419T22.2Very low22.8Very low84 Ų84136.8 Ų136.852%0.51574%0.736SS.*  trans-76.596.4159.450.80000108.9M1271 M1417 L1421M1271-T1419 HydrophobicContact CE-CG2 3.96Å; M1271-T1419 HydrophobicContact SD-CG2 3.99Å; M1417-T1419 PolarHBondContact O-N 3.46Å; M1417-T1419 VanDerWaalsContact O-N 3.12Å; T1419-L1421 PolarHBondContact O-N 2.75Å
1420T23Very low22.8Very low109 Ų109138.6 Ų138.667%0.66974%0.74SS**  trans-73.4115162.548.40000108.1M1418 S1422M1418-T1420 PolarHBondContact O-N 3.08Å; T1420-S1422 PolarHBondContact O-N 2.77Å; T1420-S1422 VanDerWaalsContact O-N 3.09Å
1421L21.2Very low22.9Very low180 Ų180140.5 Ų140.594%0.94274%0.738SS**  trans-55.4107.6170.5-75.2144.2000109.5T1419T1419-L1421 PolarHBondContact O-N 2.75Å
1422S23.1Very low23Very low67 Ų67138.2 Ų138.247%0.46974%0.738SS.*  trans-76126.4160.845.90000108E1189 T1420 S1424E1189-S1422 PolarHBondContact OE1-OG 3.05Å; E1189-S1422 VanDerWaalsContact OE1-OG 3.08Å; T1420-S1422 PolarHBondContact O-N 2.77Å; T1420-S1422 VanDerWaalsContact O-N 3.09Å; S1422-S1424 PolarHBondContact O-N 3.14Å
1423S22.4Very low23.1Very low125 Ų125139.2 Ų139.287%0.87474%0.735SS**  trans-65.3106.7179.150.60000111.3
1424S22.2Very low23.2Very low65 Ų65141.6 Ų141.646%0.45574%0.743SS.*  trans-116.3130.8153.264.10000110.1Q1186 S1422 V1426Q1186-S1424 VanDerWaalsContact NE2-CB 3.28Å; Q1186-S1424 PolarHBondContact NE2-OG 2.92Å; Q1186-S1424 PolarHBondContact OE1-OG 3.43Å; S1422-S1424 PolarHBondContact O-N 3.14Å; S1424-V1426 PolarHBondContact O-N 3.19Å
1425S22.3Very low23.3Very low115 Ų115135.5 Ų135.580%0.80474%0.741SS**  trans-58.3122.2-176.648.30000113.1
1426V22Very low23.2Very low128 Ų128134.7 Ų134.778%0.77674%0.741SS**  trans-101.7119.1151.4-179.60000107.8S1424 R1428S1424-V1426 PolarHBondContact O-N 3.19Å; V1426-R1428 PolarHBondContact O-N 3.32Å
1427P22Very low23.2Very low118 Ų118137.6 Ų137.677%0.76675%0.75SS**  trans-79.2110-175.327.9-26.3000110.3
1428R23.3Very low23.3Very low247 Ų247144.1 Ų144.193%0.93277%0.769SS**  trans-87.5112.7170.6-87.1-173.5-179.3-175.51.6110.9V1426 L1430V1426-R1428 PolarHBondContact O-N 3.32Å; R1428-L1430 PolarHBondContact O-N 3.04Å
1429R21.5Very low23.3Very low240 Ų240149.2 Ų149.291%0.90678%0.781SS**  trans-51.1124.7165.6-80.4175.3170.1178.2-3.3112
1430L22.8Very low23.4Very low146 Ų146155.5 Ų155.576%0.76480%0.801SS**  10.6110.4129.7-126.980.8000116.8R1428R1428-L1430 PolarHBondContact O-N 3.04Å
1431H26.9Very low23.5Very low162 Ų162155.2 Ų155.275%0.7581%0.81SS**  157.6116.5124.6-89.7-71.2000111.6
1432Q27.6Very low23.5Very low191 Ų191151.5 Ų151.589%0.89381%0.806SS**  trans145.679.6158.6-86.3173.510.900105.9
1433K24.4Very low23.6Very low182 Ų182153.3 Ų153.379%0.79182%0.824SS**  29.2119.277.9-90.1-166.2177.8-174.30115.4
1434E24.7Very low23.7Very low180 Ų180152.4 Ų152.484%0.84182%0.824SS**  trans83.570.1153.9-67.4171.6-174.400118.5
1435A23.9Very low23.9Very low101 Ų101154.6 Ų154.684%0.83584%0.84SS**SBendtrans-149.798.3137.300000110.1
1436A22.2Very low24.2Very low86 Ų86158.5 Ų158.571%0.71185%0.845SS**  trans16.2120.1152.700000117.6
1437S24.5Very low24.3Very low131 Ų131161.9 Ų161.992%0.91685%0.85SS**  cis42.460.241.6-92.70000114.1
1438R24.6Very low24.5Very low233 Ų233165.7 Ų165.788%0.87986%0.857SS**  trans-137.1122.5143.4-80.7-170-179.2-175.60.1109.4
1439R22.5Very low24.6Very low244 Ų244160.2 Ų160.292%0.92185%0.851SS**SBendtrans86.865.5171-54.8-178.8-178.9168.20.2117
1440K23.9Very low24.7Very low215 Ų215154.6 Ų154.694%0.93584%0.844SS**  trans-170.287.8131.5-104.4173.9-176.2-175.20109.4
1441A24.8Very low24.9Very low104 Ų104154.3 Ų154.386%0.8684%0.841SS**  trans-15878.1163.200000108.8
1442A22.8Very low24.6Very low102 Ų102152 Ų15284%0.84384%0.844SS**SBendtrans-177.3118.2153.500000103.9
1443A24Very low24.5Very low104 Ų104154.2 Ų154.286%0.8684%0.844SS**  cis-150.1135.19.300000107.8
1444A24.3Very low24.3Very low106 Ų106151.9 Ų151.988%0.87685%0.845SS**  trans-134.398.6157.900000105.1
1445S26.2Very low24.3Very low111 Ų111148.9 Ų148.978%0.77684%0.844SS**  trans-178.4109.6152.558.10000108.5
1446E29.2Very low24.2Very low198 Ų198150 Ų15093%0.92584%0.841SS**  -154.5111.5129.2-110.4166.3-155.200108
1447K24.7Very low24.5Very low199 Ų199153.7 Ų153.787%0.86585%0.848SS**  trans-82.9135.4162.2-70.1172.2172.11780105.4
1448E26.5Very low24.3Very low197 Ų197152.1 Ų152.192%0.92184%0.837SS**  trans-160.7129.9136.7-115.9169.7-169.200111.3
1449V24.5Very low24.3Very low132 Ų132148.2 Ų148.280%0.883%0.832SS**  trans-88.9153.2171.61710000106.5
1450T22.9Very low24.2Very low123 Ų123141.2 Ų141.276%0.75582%0.821SS**  trans135.5137.1135.7-33.60000114.1
1451I26.9Very low24.1Very low140 Ų140135.8 Ų135.872%0.71881%0.81SS**  trans96.996.8152.9-43.7-178.2000118.1
1452S21.2Very low24Very low114 Ų114135 Ų13580%0.79780%0.803SS**  trans-48.9130.9154.4-150000113.5
1453R25.7Very low24.1Very low236 Ų236138.8 Ų138.889%0.89180%0.804SS**  trans-145.1110146-75.8-164.8177.2150-0110.8
1454T21Very low23.9Very low133 Ų133139.3 Ų139.382%0.81680%0.801SS**  trans-55.2133.6156.544.10000110.9
1455S24.9Very low24.1Very low117 Ų117140.5 Ų140.582%0.81880%0.797SS**  trans-164.6109.3147.4-71.90000108.8
1456T21.7Very low23.9Very low126 Ų126143 Ų14377%0.77380%0.802SS**  trans-52.5131.816043.60000111.4
1457D27.4Very low23.8Very low162 Ų162136.9 Ų136.987%0.86679%0.792SS**  trans-146.592.5146-91.7-29.6000108.7
1458S20.8Very low23.8Very low98 Ų98135.3 Ų135.369%0.68579%0.787SS**  trans-50.6142.4147.538.30000110.8
1459I24.1Very low23.7Very low151 Ų151133.6 Ų133.677%0.77478%0.784SS**  trans175.7123.1134.7-89.3153.4000109
1460S21.5Very low23.7Very low98 Ų98137 Ų13769%0.68578%0.784SS**  trans27.4146139.9850000118.7
1461S21.3Very low23.7Very low101 Ų101139.6 Ų139.671%0.70679%0.79SS**  cis165.8156.21338.20000104.1
1462A22Very low23.6Very low86 Ų86139.8 Ų139.871%0.71179%0.792SS**  trans68.6107.6158.700000116.8
1463Q24.9Very low23.9Very low183 Ų183139.6 Ų139.686%0.85579%0.788SS**  177.912898.9-93.5174.2-000109.6
1464S21.2Very low23.9Very low114 Ų114135.5 Ų135.580%0.79778%0.782SS**  trans-65.5123.1165.551.10000110.5
1465T26.8Very low24.2Very low132 Ų132134.8 Ų134.881%0.8178%0.777SS**  trans-139.9105.8151.643.50000108.9G1467T1465-G1467 PolarHBondContact O-N 3.39Å
1466D23Very low24.2Very low163 Ų163136.5 Ų136.587%0.87278%0.776SS**  trans-58122162.9-76.2-48.5000109.4
1467G26.6Very low24.4Very low69 Ų69136.5 Ų136.571%0.71178%0.776SS**  trans-134.988.2173.600000108.8T1465 N1469T1465-G1467 PolarHBondContact O-N 3.39Å; G1467-N1469 PolarHBondContact O-N 2.92Å; G1467-N1469 VanDerWaalsContact O-N 3.15Å
1468H25.2Very low24.3Very low166 Ų166137 Ų13777%0.76977%0.773SS**  trans-47.1114.6177.7-80.5-79.9000112.4Y1470H1468-Y1470 HydrophobicContact CB-CE2 4.42Å; H1468-Y1470 PolarHBondContact O-N 3.43Å
1469N24.2Very low24.6Very low161 Ų161141.5 Ų141.586%0.86178%0.78SS**  trans-64.998.1163.5-105.6-24000108.6G1467 M1471G1467-N1469 PolarHBondContact O-N 2.92Å; G1467-N1469 VanDerWaalsContact O-N 3.15Å; N1469-M1471 PolarHBondContact O-N 3.32Å
1470Y23.8Very low24.6Very low205 Ų205142.1 Ų142.180%0.80479%0.785SS**  trans-66.697.6164.9-80.4-89.5000108.8H1468 L1472H1468-Y1470 HydrophobicContact CB-CE2 4.42Å; H1468-Y1470 PolarHBondContact O-N 3.43Å; Y1470-L1472 VanDerWaalsContact C-N 3.3Å; Y1470-L1472 PolarHBondContact O-N 3.02Å
1471M22.9Very low24.9Very low177 Ų177143.4 Ų143.487%0.87279%0.789SS**  trans-62.794.2155.4-89.8-91.8110.900107.9N1469N1469-M1471 PolarHBondContact O-N 3.32Å
1472L25.4Very low25.2Very low144 Ų144144.4 Ų144.475%0.75479%0.793SS**  trans-73.3129.6164.7-89.2157.2000108.7Y1470 I1474Y1470-L1472 VanDerWaalsContact C-N 3.3Å; Y1470-L1472 PolarHBondContact O-N 3.02Å; L1472-I1474 PolarHBondContact O-N 2.7Å
1473P27.7Very low25.3Very low110 Ų110148.6 Ų148.671%0.71480%0.802SS**  trans-64.8123.2178.5-1628.9000110.6V1475P1473-V1475 PolarHBondContact O-N 3.43Å; P1473-V1475 VanDerWaalsContact O-N 3.12Å
1474I26.1Very low25.4Very low150 Ų150151.6 Ų151.677%0.76981%0.805SS**  trans-66.9106.5170.6-66.5166.9000107.5L1472 L1476L1472-I1474 PolarHBondContact O-N 2.7Å; I1474-L1476 PolarHBondContact O-N 3.25Å; I1474-L1476 VanDerWaalsContact O-N 3.17Å
1475V27.2Very low25.8Very low117 Ų117151.7 Ų151.771%0.70980%0.803SS**  trans-71104.3170.71780000107.7P1473 T1477P1473-V1475 PolarHBondContact O-N 3.43Å; P1473-V1475 VanDerWaalsContact O-N 3.12Å; V1475-T1477 HydrophobicContact CG1-CG2 4.28Å; V1475-T1477 PolarHBondContact O-N 2.82Å
1476L24.4Very low25.8Very low154 Ų154151.5 Ų151.581%0.80680%0.804SS**  trans-65.397.9174.3-73.1165.8000109.8I1474 E1478I1474-L1476 PolarHBondContact O-N 3.25Å; I1474-L1476 VanDerWaalsContact O-N 3.17Å; L1476-E1478 PolarHBondContact O-N 2.96Å
1477T26.2Very low25.9Very low125 Ų125155.4 Ų155.477%0.76781%0.807SS**  trans-92.264.6170.843.80000110.3V1475 K1479V1475-T1477 HydrophobicContact CG1-CG2 4.28Å; V1475-T1477 PolarHBondContact O-N 2.82Å; T1477-K1479 PolarHBondContact O-N 3.37Å
1478E25.8Very low25.8Very low173 Ų173157 Ų15781%0.80880%0.804SS**  trans-90.389.5173.5-122.3-179.4179.600110.9L1476 L1480L1476-E1478 PolarHBondContact O-N 2.96Å; E1478-L1480 PolarHBondContact O-N 3.41Å
1479K26.1Very low25.7Very low192 Ų192156 Ų15684%0.83581%0.805SS**  trans-71.798.9163.6-81.1-179174.6177.10108.8T1477 T1481T1477-K1479 PolarHBondContact O-N 3.37Å; K1479-T1481 PolarHBondContact O-N 2.54Å; K1479-T1481 VanDerWaalsContact O-N 3.13Å
1480L24.4Very low26Very low165 Ų165153.7 Ų153.786%0.86480%0.802SS**  trans-60.5109.5164.9-77.5158.8000109.2E1478E1478-L1480 PolarHBondContact O-N 3.41Å
1481T27.3Very low26Very low125 Ų125151.5 Ų151.577%0.76780%0.804SS**  trans-89.8121.3172.130.90000109.3K1479K1479-T1481 PolarHBondContact O-N 2.54Å; K1479-T1481 VanDerWaalsContact O-N 3.13Å
1482P27Very low26.4Very low122 Ų122150.2 Ų150.279%0.79281%0.806SS**  trans-91.1113.9173.431.9-26.3000109.7
1483L26Very low26.4Very low173 Ų173148.6 Ų148.691%0.90681%0.806SS**  trans-138.397.3169.4-80.4170000109.8
1484R25.5Very low26.2Very low246 Ų246153.4 Ų153.493%0.92882%0.816SS**  trans-135.7133.9146.9-163.2172.7-129.3171.94109.9
1485P30.8Very low26.2Very low116 Ų116150.4 Ų150.475%0.75382%0.821SS**PPolyproline II helixtrans-82157.2-165-4.824.3000113.3
1486P25.7Very low26Very low128 Ų128150.5 Ų150.583%0.83183%0.827SS**PPolyproline II helixtrans-87.3153.6-174.335-33.2000113.4
1487R25.2Very low26.1Very low246 Ų246148.2 Ų148.293%0.92883%0.825SS**PPolyproline II helixtrans-97.6147.2163.7-94-175.7-180167.70.3110.7
1488P24.4Very low26.1Very low101 Ų101151.4 Ų151.466%0.65683%0.831SS**PPolyproline II helixtrans-102.7168.5-16140.8-33.7000114.5
1489D24.3Very low26.1Very low147 Ų147150.8 Ų150.879%0.78683%0.833SS**  trans83.5105.4152.7-54.3-32.9000120.4
1490S29.1Very low26.2Very low112 Ų112147.2 Ų147.278%0.78383%0.829SS**  177.5110.410540.40000113
1491N24.7Very low26.1Very low158 Ų158143.7 Ų143.785%0.84582%0.819SS**  trans35.8100.5138.7-59.8-24.5000120.2
1492V30.5Very low26Very low151 Ų151144.6 Ų144.692%0.91582%0.819SS**  -142.4121.5128.4-175.30000109
1493S25.8Very low25.9Very low109 Ų109146.4 Ų146.476%0.76282%0.821SS**  trans-88.4129.2-169.842.80000113.8
1494K24Very low25.8Very low212 Ų212143.1 Ų143.192%0.92281%0.812SS**  trans36.8110.7132.2-66.3-178.3176.8178.40119
1495G26.3Very low25.6Very low86 Ų86137.1 Ų137.189%0.88781%0.808SS**  trans-133.8123.5146.100000108.7
1496S22Very low25.4Very low119 Ų119138.8 Ų138.883%0.83281%0.811SS**  trans-114.3141.6-169.865.10000111.6
1497S27.7Very low25.2Very low107 Ų107143.7 Ų143.775%0.74881%0.813SS**  trans-176.7102.5148.252.10000108.8
1498Q26.3Very low25.2Very low192 Ų192141 Ų14190%0.89781%0.808SS**  92.2107.598.1-80.7-173.5-1.800113.9
1499N25.3Very low25.2Very low159 Ų159142.7 Ų142.785%0.8582%0.817SS**  trans-61.1156.4159.4-71.9-30000110.7
1500P27.7Very low25.2Very low117 Ų117139.4 Ų139.476%0.7682%0.818SS**  -150.1136.191.332.3-11.2000117.1
1501S23.6Very low24.8Very low92 Ų92139.6 Ų139.664%0.64382%0.819SS**  trans24.4129136.260.20000123.3
1502N23.9Very low24.7Very low143 Ų143140.1 Ų140.177%0.76582%0.821SS**  trans63114.9131.6-61-16.3000119.6
1503L24.1Very low24.5Very low161 Ų161140 Ų14084%0.84381%0.81SS**  170.5139.699.7-104.1126.7000113.3
1504S24Very low24.3Very low103 Ų103144.8 Ų144.872%0.7281%0.811SS**  trans59.8111.6147.161.10000121.5
1505S22.9Very low24.4Very low120 Ų120143.2 Ų143.284%0.83981%0.812SS**  trans-44.4128.9147.4-51.40000112.9
1506N26.1Very low24.2Very low151 Ų151147.4 Ų147.481%0.80781%0.814SS**  trans-141.6128150-119.9-8.4000110.5
1507R21.1Very low24.5Very low232 Ų232145.3 Ų145.388%0.87581%0.811SS**  trans-84.5118.1-177.7178.2-172.8-74.4175.7-5.5107.5
1508F25.1Very low24.4Very low189 Ų189144.7 Ų144.783%0.82981%0.813SS**  trans-137.2120.2163.8-95.9-80.2000110.2
1509T24.2Very low24.3Very low137 Ų137147 Ų14784%0.8481%0.814SS**  trans-77.3131.2163.446.70000108.8
1510G24.6Very low24.2Very low78 Ų78144.7 Ų144.780%0.80481%0.81SS**  trans-158.5119.717600000111.4
1511S22Very low24.2Very low115 Ų115144.2 Ų144.280%0.80481%0.809SS**  trans-50.5141.5-175.5-71.10000117.8
1512L21.5Very low24.1Very low170 Ų170149.3 Ų149.389%0.8982%0.82SS**  26.4105.5118.6-143.782000117.8
1513E25.8Very low24.2Very low149 Ų149150.5 Ų150.570%0.69683%0.826SS**  trans-133.4120.4151.8-78.5-149.7121.500111.7
1514R22.6Very low24.2Very low208 Ų208148.5 Ų148.579%0.78582%0.82SS**  trans49.7108.7138.3-56.5179.2-146.4-144.52.7118.6
1515L26.6Very low24Very low180 Ų180153.9 Ų153.994%0.94283%0.831SS**  trans-150.393132.8-101.9154.4000108.6
1516N21.7Very low24.1Very low173 Ų173156.7 Ų156.793%0.92583%0.828SS**  trans-82.8131161.7-95.7-21.9000107.9
1517G27.6Very low24Very low75 Ų75156.9 Ų156.977%0.77383%0.829SS**  trans-173.782.6178.100000112.9
1518A26.1Very low24.2Very low95 Ų95155.1 Ų155.179%0.78583%0.828SS**  trans1.3132.2159.400000119.9
1519R24.5Very low24.2Very low240 Ų240152.6 Ų152.691%0.90682%0.823SS**  -178.8118.3106.6-97.2170.6178.9-176.60111.3
1520S23.4Very low24.3Very low110 Ų110154.1 Ų154.177%0.76982%0.821SS**  trans-79.9135.1160.2480000109.4
1521S27.5Very low24.4Very low107 Ų107158 Ų15875%0.74882%0.823SS**  trans-159.4110.5157.2-590000108.3
1522F21.5Very low24.4Very low199 Ų199157.3 Ų157.387%0.87382%0.818SS**  trans-58.4131.9165.1-76.8-104.8000109.7
1523L26.1Very low24.8Very low168 Ų168157.2 Ų157.288%0.8882%0.817SS**  trans-129.2113.7160.7-74.5176000108.9
1524T23.1Very low24.9Very low120 Ų120156.4 Ų156.474%0.73682%0.822SS**  trans-66.5145.9178.328.60000112.3K1526T1524-K1526 PolarHBondContact O-N 2.98Å
1525F20.7Very low25.1Very low216 Ų216149.7 Ų149.795%0.94782%0.818SS**  trans-41.9121161-98.6-107.5000110.8
1526K24.6Very low25.2Very low179 Ų179149.4 Ų149.478%0.77882%0.817SS**  trans-120.2124.6164.4-90.5-174172.9-177.30108.6T1524 F1528T1524-K1526 PolarHBondContact O-N 2.98Å; K1526-F1528 PolarHBondContact O-N 2.89Å
1527N23.4Very low25.4Very low155 Ų155150.4 Ų150.483%0.82982%0.817SS**  trans-48.3127.7166.5-77.1-17.6000110.3
1528F25.8Very low25.5Very low194 Ų194156.2 Ų156.285%0.85182%0.823SS**  trans-96.897.9165.2-91.9-89.3000107.7K1526K1526-F1528 PolarHBondContact O-N 2.89Å
1529D25.4Very low25.7Very low136 Ų136160.5 Ų160.573%0.72783%0.827SS**  trans-78.2137.4158.5-78-41.4000109.5
1530E25.2Very low26Very low170 Ų170155 Ų15579%0.79482%0.823SS**  trans40.596.3146.5-65.3-176.5152.400119
1531L26.8Very low26.4Very low160 Ų160157.4 Ų157.484%0.83883%0.825SS**  trans-99.199153.2-95.6155000109.1
1532S23.5Very low26.5Very low100 Ų100159 Ų15970%0.69983%0.826SS**  trans-72.3115.1169-59.20000109.3
1533L28.9Very low26.9Very low168 Ų168154.4 Ų154.488%0.8882%0.818SS**  trans-98.799.1167.5-80.1163.5000108.8
1534T28.7Very low27Very low131 Ų131152.1 Ų152.180%0.80481%0.811SS**  trans-54.3131.4151.1520000107.9
1535G26.3Very low27.4Very low67 Ų67151.7 Ų151.769%0.69181%0.811SS**  cis117.385.948.300000105.9
1536D29.4Very low28Very low174 Ų174147.1 Ų147.193%0.9380%0.803SS**  trans-128.9121.6167.1-88.8-36.3000108.1
1537E25.6Very low28.4Very low195 Ų195144.5 Ų144.591%0.91180%0.804SS**  trans-82122.4-177.1-59.4-170.2145.900110.1
1538E29.3Very low28.5Very low196 Ų196145 Ų14592%0.91681%0.806SS**  trans-128.9126.6155.3-78.2-164.6161.200109
1539E30Very low28.9Very low185 Ų185141.3 Ų141.386%0.86480%0.801SS**  trans-63.7147.4-172-74.8-160.5149.900113.8I1541E1539-I1541 PolarHBondContact O-N 3.41Å
1540P31.3Very low29.2Very low126 Ų126140.6 Ų140.682%0.81880%0.804SS**  trans-81.8118.8-173.931.5-32.3000112.2D1542P1540-D1542 PolarHBondContact O-N 2.78Å
1541I31.8Very low29.2Very low159 Ų159144.3 Ų144.382%0.81581%0.811SS**  trans-78.1113.7165-63.7172.2000108.4E1539 S1543E1539-I1541 PolarHBondContact O-N 3.41Å; I1541-S1543 PolarHBondContact O-N 3.35Å
1542D30.1Very low29.3Very low141 Ų141148 Ų14875%0.75481%0.813SS**  trans-6594.2177.3-168.812.5000111.3P1540 T1544P1540-D1542 PolarHBondContact O-N 2.78Å; D1542-T1544 PolarHBondContact OD1-OG1 3.02Å
1543S29.5Very low29.5Very low102 Ų102151 Ų15171%0.71382%0.821SS**  trans-131.662.2164.671.80000109.3I1541 P1545I1541-S1543 PolarHBondContact O-N 3.35Å; S1543-P1545 WeakPolarHBondContact O-CD 3.4Å
1544T28.3Very low29.5Very low120 Ų120148.5 Ų148.574%0.73682%0.818SS**  trans-81.6111.6166.843.30000109.1D1542D1542-T1544 PolarHBondContact OD1-OG1 3.02Å
1545P30.5Very low29.4Very low112 Ų112144.8 Ų144.873%0.72781%0.806SS**PPolyproline II helixtrans-65.9146.8171.426.8-31.8000110S1543S1543-P1545 WeakPolarHBondContact O-CD 3.4Å
1546P33.9Very low29.3Very low120 Ų120151.1 Ų151.178%0.77982%0.818SS**PPolyproline II helixtrans-63.6147.3-171.623.5-32.8000112.8
1547P32.1Very low29Very low124 Ų124148.8 Ų148.881%0.80581%0.809SS**PPolyproline II helixtrans-70139-174.127.7-33.6000112.2
1548L27.2Very low28.9Very low166 Ų166148.3 Ų148.387%0.86981%0.807SS**PPolyproline II helixtrans-56.4135.2173.9-79.8147.8000111.2
1549P33.4Very low28.5Very low115 Ų115145.2 Ų145.275%0.74780%0.801SS**PPolyproline II helixtrans-63.3146.6177.622.3-30.2000112.3
1550P31.8Very low28.2Very low122 Ų122141.3 Ų141.379%0.79279%0.794SS**PPolyproline II helixtrans-68.8139.3-170.525.6-33.4000112.9R1552P1550-R1552 PolarHBondContact O-N 3.17Å
1551R25.5Very low27.9Very low248 Ų248139.3 Ų139.394%0.93679%0.789SS**  trans-46104.6178-68.6176.4174.7172.4-2.2111.1
1552R28Very low27.5Very low236 Ų236138.5 Ų138.589%0.89179%0.79SS**  trans-84.2126.1157.1-87.8-176.1175.2170.2-0.5107.6P1550 S1554P1550-R1552 PolarHBondContact O-N 3.17Å; R1552-S1554 PolarHBondContact O-N 3.09Å
1553D29Very low27.2Very low163 Ų163138.4 Ų138.487%0.87279%0.788SS**  trans-44.5103.3175.1-64.5-47.3000110.4G1555D1553-G1555 PolarHBondContact O-N 3.25Å
1554S28.3Very low26.9Very low116 Ų116137.5 Ų137.581%0.81178%0.782SS**  trans-72.187.4171.453.20000107.2R1552 H1556R1552-S1554 PolarHBondContact O-N 3.09Å; S1554-H1556 PolarHBondContact O-N 3.11Å
1555G25.3Very low26.7Very low54 Ų54137.7 Ų137.756%0.55779%0.785SS**  trans-46.9133.2153.900000108.8D1553 V1557D1553-G1555 PolarHBondContact O-N 3.25Å; G1555-V1557 PolarHBondContact O-N 3.42Å
1556H24.3Very low26.5Very low200 Ų200139 Ų13993%0.92679%0.786SS**  trans-35.296.8177.2-74.1-74.7000113S1554S1554-H1556 PolarHBondContact O-N 3.11Å
1557V24Very low26Very low124 Ų124142.2 Ų142.275%0.75279%0.788SS**  trans-112.3110.1160.8177.50000105.6G1555 V1559G1555-V1557 PolarHBondContact O-N 3.42Å; V1557-V1559 VanDerWaalsContact C-N 3.33Å; V1557-V1559 PolarHBondContact O-N 3.45Å
1558E22.8Very low25.6Very low186 Ų186141.2 Ų141.287%0.86978%0.783SS**  trans-55.890.3175.6-67.4173.3145.800110S1560E1558-S1560 PolarHBondContact O-N 3.15Å
1559V22.3Very low25.5Very low131 Ų131138.9 Ų138.979%0.79478%0.779SS**  trans-82.2101.1161.7-1790000106.1V1557 A1561V1557-V1559 VanDerWaalsContact C-N 3.33Å; V1557-V1559 PolarHBondContact O-N 3.45Å; V1559-A1561 PolarHBondContact O-N 2.69Å
1560S23.4Very low25Very low103 Ų103141.9 Ų141.972%0.7279%0.785SS**  trans-46.198.6169.2-31.20000108.8E1558 V1562E1558-S1560 PolarHBondContact O-N 3.15Å; S1560-V1562 PolarHBondContact O-N 3.36Å
1561A24.1Very low24.6Very low84 Ų84140.9 Ų140.969%0.69478%0.78SS**  trans-60.6110.216700000106V1559 I1563V1559-A1561 PolarHBondContact O-N 2.69Å; A1561-I1563 PolarHBondContact O-N 2.9Å
1562V23.3Very low24.6Very low141 Ų141135 Ų13586%0.85577%0.774SS**  trans-62.393.8168.7176.30000105.5S1560 S1564S1560-V1562 PolarHBondContact O-N 3.36Å; V1562-S1564 PolarHBondContact O-N 3.4Å
1563I24.7Very low24.4Very low139 Ų139129.2 Ų129.271%0.71377%0.766SS**  trans-62.2103.6173.9-66.6164.6000105.9A1561A1561-I1563 PolarHBondContact O-N 2.9Å
1564S22Very low24.3Very low84 Ų84126.9 Ų126.959%0.58776%0.762SS**  trans-48.3127.9155.635.50000108V1562 L1566V1562-S1564 PolarHBondContact O-N 3.4Å; S1564-L1566 PolarHBondContact O-N 3.44Å
1565P24.9Very low24.1Very low123 Ų123129.4 Ų129.480%0.79976%0.761SS**  trans-69.594.1-168.427.4-32.5000109.5
1566L25.2Very low24.1Very low140 Ų140136 Ų13673%0.73378%0.777SS**  trans-69.8128.2164.4-95.5105.8000108.5S1564 S1568S1564-L1566 PolarHBondContact O-N 3.44Å; L1566-S1568 PolarHBondContact O-N 3.48Å; L1566-S1568 VanDerWaalsContact O-N 3.11Å
1567F24.2Very low24.1Very low188 Ų188133.8 Ų133.883%0.82577%0.772SS**  trans-34.9113.4159.3-83.3-102.8000111.2
1568S23.3Very low24.2Very low102 Ų102133.1 Ų133.171%0.71377%0.77SS**  trans-122120.4155.2-630000106L1566 M1570L1566-S1568 PolarHBondContact O-N 3.48Å; L1566-S1568 VanDerWaalsContact O-N 3.11Å; S1568-M1570 PolarHBondContact O-N 3.47Å
1569P25.5Very low24.3Very low118 Ų118130 Ų13077%0.76677%0.768SS**  trans-57.3131.8176.423.2-30.8000108.7S1571P1569-S1571 PolarHBondContact O-N 2.82Å
1570M22.3Very low24.5Very low178 Ų178131.1 Ų131.188%0.87777%0.767SS**  trans-51.9111.7-179.4-66.3-160.576.300110S1568S1568-M1570 PolarHBondContact O-N 3.47Å
1571S23.8Very low24.8Very low100 Ų100133.9 Ų133.970%0.69977%0.772SS**PPolyproline II helixtrans-69.7135.4162.4410000107.7P1569 T1573P1569-S1571 PolarHBondContact O-N 2.82Å; S1571-T1573 PolarHBondContact O-N 3.07Å; S1571-T1573 VanDerWaalsContact O-N 3.15Å
1572P26.6Very low25Very low124 Ų124136 Ų13681%0.80578%0.777SS**PPolyproline II helixtrans-64.3120.6-172.824.5-31.6000109.4S1574P1572-S1574 PolarHBondContact O-N 3.26Å; P1572-S1574 VanDerWaalsContact O-N 3.12Å
1573T23.8Very low25.2Very low116 Ų116135.6 Ų135.671%0.71277%0.774SS**PPolyproline II helixtrans-54.4116.9170.841.70000109.2S1571 Q1575S1571-T1573 PolarHBondContact O-N 3.07Å; S1571-T1573 VanDerWaalsContact O-N 3.15Å; T1573-Q1575 VanDerWaalsContact C-N 3.29Å; T1573-Q1575 PolarHBondContact O-N 3.15Å
1574S25.1Very low25.6Very low114 Ų114134.3 Ų134.380%0.79777%0.774SS**  trans-59.986.7171.141.50000110.2P1572 Q1576P1572-S1574 PolarHBondContact O-N 3.26Å; P1572-S1574 VanDerWaalsContact O-N 3.12Å; S1574-Q1576 PolarHBondContact O-N 3.46Å
1575Q25.8Very low25.9Very low169 Ų169141.7 Ų141.779%0.7979%0.79SS**  trans-65.8107.6162.1-76.1-172.6-9.800107.7T1573 L1577T1573-Q1575 VanDerWaalsContact C-N 3.29Å; T1573-Q1575 PolarHBondContact O-N 3.15Å; Q1575-L1577 PolarHBondContact O-N 2.77Å
1576Q23.9Very low26.2Very low191 Ų191147.7 Ų147.789%0.89380%0.796SS**  trans-56.698.4165.6-72.9-178.8-21.400108.7S1574S1574-Q1576 PolarHBondContact O-N 3.46Å
1577L24.9Very low26.4Very low155 Ų155149.8 Ų149.881%0.81280%0.802SS**  trans-83.6133.5162-103.4137.7000108.5Q1575Q1575-L1577 PolarHBondContact O-N 2.77Å
1578P26.1Very low26.5Very low110 Ų110150.7 Ų150.771%0.71481%0.806SS**  trans-72.4137.2-166.1-12.928.8000112.7M1580P1578-M1580 PolarHBondContact O-N 3.46Å; P1578-M1580 VanDerWaalsContact O-N 3.12Å
1579S25Very low26.9Very low120 Ų120156.2 Ų156.284%0.83984%0.835SS**  trans-58103.6170.653.30000111.8
1580M26.4Very low27Very low154 Ų154158.1 Ų158.176%0.75984%0.838SS**  trans-144.652177.3-93.2-65.6-37.500111.6P1578P1578-M1580 PolarHBondContact O-N 3.46Å; P1578-M1580 VanDerWaalsContact O-N 3.12Å
1581I29.5Very low27.2Very low161 Ų161157.1 Ų157.183%0.82684%0.836SS**  trans-139.393.6161-54.8-179.2000109.6V1583I1581-V1583 PolarHBondContact O-N 3.4Å
1582T27.9Very low27.4Very low130 Ų130160.2 Ų160.280%0.79884%0.844SS**PPolyproline II helixtrans-53.8116.9162.216.20000110.3P1584T1582-P1584 WeakPolarHBondContact O-CD 3.41Å
1583V29.1Very low27.5Very low131 Ų131162.4 Ų162.479%0.79485%0.846SS**PPolyproline II helixtrans-68.4120.2172.2178.20000109I1581 R1585I1581-V1583 PolarHBondContact O-N 3.4Å; V1583-R1585 PolarHBondContact O-N 2.85Å
1584P32.8Very low27.7Very low112 Ų112165.3 Ų165.373%0.72785%0.854SS**PPolyproline II helixtrans-76.4122.317224.5-18.7000109.1T1582 R1586T1582-P1584 WeakPolarHBondContact O-CD 3.41Å; P1584-R1586 PolarHBondContact O-N 2.89Å; P1584-R1586 VanDerWaalsContact O-N 3.1Å
1585R28.4Very low27.9Very low240 Ų240168.7 Ų168.791%0.90686%0.858SS**  trans-50.4111.5166-79.4174.6167.9167.1-3.8109V1583V1583-R1585 PolarHBondContact O-N 2.85Å
1586R29.9Very low28Very low248 Ų248168.6 Ų168.694%0.93686%0.863SS**  trans-83.3112.5160.6-97.6-178.5173.1173.2-2.2108.1P1584P1584-R1586 PolarHBondContact O-N 2.89Å; P1584-R1586 VanDerWaalsContact O-N 3.1Å
1587E30.5Very low28.3Very low185 Ų185166.9 Ų166.986%0.86486%0.861SS**  trans-60.9149168.8-71.8174.6147.500110.9V1589E1587-V1589 PolarHBondContact O-N 3.43Å
1588K25.2Very low28.6Very low207 Ų207167.9 Ų167.990%0.987%0.865SS**  trans-58.4123.4174.2-69.5171.9170.8179.60111.1
1589V32.5Very low28.8Very low217 Ų217173.2 Ų173.2100%1.31588%0.878SS**  -139.70129.6178.30000107.1E1587E1587-V1589 PolarHBondContact O-N 3.43Å

Retrieved 1,589 of 1,589 residues in 1207.8 ms (Link to these results)

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